smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C)c(CN2CCOc3ccc(CN4CCC(O)CC4)cc3C2)cc1C ZINC000011997777 962221439 /nfs/dbraw/zinc/22/14/39/962221439.db2.gz PWDSCTHQMUHMKK-UHFFFAOYSA-N 0 3 410.558 3.663 50 0 HHAAHN O=C(NC[C@H]1CCCN(Cc2nc3ccccc3s2)C1)c1n[nH]c2ccccc21 ZINC000012317233 962270642 /nfs/dbraw/zinc/27/06/42/962270642.db2.gz KXDGRJDPJUCYBU-OAHLLOKOSA-N 0 3 405.527 3.815 50 0 HHAAHN O=C1N(C2CCCC2)C[C@@H]2C[C@@H](c3ccc(Oc4ncccn4)cc3)N3CCC[C@@]123 ZINC000012712320 962317651 /nfs/dbraw/zinc/31/76/51/962317651.db2.gz NOVGIWLDHTVHCS-XZOYJPPVSA-N 0 3 404.514 3.949 50 0 HHAAHN COc1cccc(CN2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)c1OC ZINC000019222081 963357946 /nfs/dbraw/zinc/35/79/46/963357946.db2.gz VINNPEONMNZKDA-JOCHJYFZSA-N 0 3 409.574 3.799 50 0 HHAAHN Cc1c(CN2CCC[C@@H](COc3ccccc3C(=O)N3CCC(C)CC3)C2)cnn1C ZINC000169765044 970473102 /nfs/dbraw/zinc/47/31/02/970473102.db2.gz MNVGFHIETGMVCR-OAQYLSRUSA-N 0 3 424.589 3.892 50 0 HHAAHN COCCO[C@@H]1CN(C2CCN(C(=O)c3cccc(C)c3)CC2)C12CCCCC2 ZINC000257186085 970621141 /nfs/dbraw/zinc/62/11/41/970621141.db2.gz YJWSNKIZWKMLJY-JOCHJYFZSA-N 0 3 400.563 3.650 50 0 HHAAHN COCC(=O)NC[C@H]1CN(Cc2ccc(OC)c(OC)c2Cl)CC12CCCCC2 ZINC000409420386 972890581 /nfs/dbraw/zinc/89/05/81/972890581.db2.gz MFHTUOOANRALGY-KRWDZBQOSA-N 0 3 424.969 3.502 50 0 HHAAHN Cc1nn(C)cc1[C@@H](C)NC1CCN(c2ccc(C(=O)NC3CCCC3)cc2)CC1 ZINC000011911040 132352125 /nfs/dbraw/zinc/35/21/25/132352125.db2.gz VDIKRMWWARNSPX-QGZVFWFLSA-N 0 3 409.578 3.721 50 0 HHAAHN CN(C)CCN(Cc1csc(COc2ccccc2)n1)C(=O)Cc1ccccc1 ZINC000036114625 521751906 /nfs/dbraw/zinc/75/19/06/521751906.db2.gz HETZQQVHICBPRM-UHFFFAOYSA-N 0 3 409.555 3.855 50 0 HHAAHN COC(=O)c1ccc(C(=O)NCC2CCN(Cc3ccccc3SC)CC2)cc1 ZINC000043991299 521956647 /nfs/dbraw/zinc/95/66/47/521956647.db2.gz CMAZJZPPEVARMV-UHFFFAOYSA-N 0 3 412.555 3.837 50 0 HHAAHN CN1CCC2(CC1)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1O2 ZINC000031583785 523786187 /nfs/dbraw/zinc/78/61/87/523786187.db2.gz UQKBMOGNEOPORE-GOSISDBHSA-N 0 3 406.935 3.607 50 0 HHAAHN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCCCN3CCN(C)CC3)cc12 ZINC000020597574 525686349 /nfs/dbraw/zinc/68/63/49/525686349.db2.gz WXHWDZNPSIUQKN-UHFFFAOYSA-N 0 3 418.585 3.674 50 0 HHAAHN Cc1ccc(C(=O)N2CCC(CC(=O)NCCCN(C)Cc3ccccc3)CC2)cc1 ZINC000032974194 526082176 /nfs/dbraw/zinc/08/21/76/526082176.db2.gz CLDDXZWWIHOQMZ-UHFFFAOYSA-N 0 3 421.585 3.876 50 0 HHAAHN c1c(CNC[C@@H]2COc3ccccc3O2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000032740382 526399795 /nfs/dbraw/zinc/39/97/95/526399795.db2.gz KVZMGTPGYMFIAD-JOCHJYFZSA-N 0 3 412.493 3.923 50 0 HHAAHN Cc1noc(-c2ccc(C)c(S(=O)(=O)N3CCC(N4CCCCC4)CC3)c2)c1C ZINC000020580590 526449935 /nfs/dbraw/zinc/44/99/35/526449935.db2.gz QCVZHSFICPZDJW-UHFFFAOYSA-N 0 3 417.575 3.906 50 0 HHAAHN O=C1[C@H]2[C@H]3CCCN3[C@H](c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000043732500 527119823 /nfs/dbraw/zinc/11/98/23/527119823.db2.gz XRJIPHKFTHOBFC-YDZRNGNQSA-N 0 3 411.299 3.774 50 0 HHAAHN COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(c2cc(C)nc(N)n2)C1 ZINC000012205289 536574844 /nfs/dbraw/zinc/57/48/44/536574844.db2.gz BWJPGUVGPKFKIA-AWEZNQCLSA-N 0 3 403.914 3.665 50 0 HHAAHN CCC(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)NCCN2CCCC2)cc1 ZINC000034679946 557363316 /nfs/dbraw/zinc/36/33/16/557363316.db2.gz WXKGXCBJDSORAC-UHFFFAOYSA-N 0 3 411.521 3.523 50 0 HHAAHN O[C@@H](CSc1ccccc1)CN1CCC(Nc2nccc(C(F)(F)F)n2)CC1 ZINC000004299520 557537473 /nfs/dbraw/zinc/53/74/73/557537473.db2.gz NALRVUKYUOFNRE-OAHLLOKOSA-N 0 3 412.481 3.525 50 0 HHAAHN COc1ccc2cc(Br)ccc2c1CC(=O)N(C)C1CCN(C)CC1 ZINC000004869860 557608682 /nfs/dbraw/zinc/60/86/82/557608682.db2.gz WZGMITZIAWDLSH-UHFFFAOYSA-N 0 3 405.336 3.706 50 0 HHAAHN COc1cccc(CNCCCN2CCOCC2)c1OCc1ccc(F)cc1Cl ZINC000004999752 557623573 /nfs/dbraw/zinc/62/35/73/557623573.db2.gz VRTYXMVZKLRILT-UHFFFAOYSA-N 0 3 422.928 3.879 50 0 HHAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)CCc1cn2ccccc2n1 ZINC000011661108 558265081 /nfs/dbraw/zinc/26/50/81/558265081.db2.gz AONUIEUZWSQFJZ-UHFFFAOYSA-N 0 3 422.548 3.819 50 0 HHAAHN CCOC(=O)N1CCC(N2CCC[C@@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)CC1 ZINC000011662983 558266675 /nfs/dbraw/zinc/26/66/75/558266675.db2.gz IUUBWZAPFHIWSH-GOSISDBHSA-N 0 3 402.535 3.828 50 0 HHAAHN Cc1c[nH]c(CN(C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)n1 ZINC000011664621 558268299 /nfs/dbraw/zinc/26/82/99/558268299.db2.gz MMAAQVODLWAJIZ-NRFANRHFSA-N 0 3 400.542 3.750 50 0 HHAAHN CN(CCc1ccccc1)[C@@H]1CCCN(C(=O)c2cnc(CN3CCCC3)s2)C1 ZINC000011704768 558270920 /nfs/dbraw/zinc/27/09/20/558270920.db2.gz OJBGQDBVLRNHQS-HXUWFJFHSA-N 0 3 412.603 3.518 50 0 HHAAHN COCCN(Cc1ccc(COC)o1)CC1CCN(Cc2ccccc2F)CC1 ZINC000011838319 558285251 /nfs/dbraw/zinc/28/52/51/558285251.db2.gz GRHSEJLAKLUCAD-UHFFFAOYSA-N 0 3 404.526 3.926 50 0 HHAAHN COc1ccc(CCN(C)[C@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1OC ZINC000011842947 558287958 /nfs/dbraw/zinc/28/79/58/558287958.db2.gz YMNRNSCDGQBGTR-INIZCTEOSA-N 0 3 402.457 3.512 50 0 HHAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2ccccc2N(C)C)C1 ZINC000011873497 558291117 /nfs/dbraw/zinc/29/11/17/558291117.db2.gz WGTSNFNHLLTOBJ-FQEVSTJZSA-N 0 3 409.574 3.788 50 0 HHAAHN COc1ccc(-c2nn(-c3ccccc3C)cc2CNC[C@H]2COCCO2)cc1F ZINC000011873727 558291524 /nfs/dbraw/zinc/29/15/24/558291524.db2.gz BTBLIKKXXRBIQG-IBGZPJMESA-N 0 3 411.477 3.500 50 0 HHAAHN CCn1ncc(CN2CCC[C@@H](CCC(=O)Nc3cc(OC)cc(OC)c3)C2)c1C ZINC000011878310 558292851 /nfs/dbraw/zinc/29/28/51/558292851.db2.gz BMTZNCBUAYSUOA-SFHVURJKSA-N 0 3 414.550 3.860 50 0 HHAAHN CCOc1cc(CNCCN2CCOCC2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000019872248 558299668 /nfs/dbraw/zinc/29/96/68/558299668.db2.gz MIQQQMQEOHXIJI-UHFFFAOYSA-N 0 3 422.928 3.879 50 0 HHAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccc(F)cc1 ZINC000011952600 558303022 /nfs/dbraw/zinc/30/30/22/558303022.db2.gz GWBJUOKDXOHPCE-LJQANCHMSA-N 0 3 415.528 3.881 50 0 HHAAHN Cc1cc(C)cc(CN2CCc3nnc([C@H](C)NC(=O)c4ccccc4C)n3CC2)c1 ZINC000011980677 558306063 /nfs/dbraw/zinc/30/60/63/558306063.db2.gz JUTGIKDGHRYUHP-FQEVSTJZSA-N 0 3 417.557 3.753 50 0 HHAAHN COCCCN1C(=O)C(CC(=O)Nc2ccccc2Cl)n2c3ccccc3nc21 ZINC000020103423 558332481 /nfs/dbraw/zinc/33/24/81/558332481.db2.gz PFSDQNCOKBPWNG-GOSISDBHSA-N 0 3 412.877 3.643 50 0 HHAAHN O=C(c1nc2ccc(Cl)cn2c1CNC[C@@H]1CCCO1)N1CCCCCCC1 ZINC000020167107 558342995 /nfs/dbraw/zinc/34/29/95/558342995.db2.gz OEPLESHKVNLZHD-KRWDZBQOSA-N 0 3 404.942 3.663 50 0 HHAAHN COc1cccc(C(=O)NC[C@@H]2CCCN(Cc3c[nH]c4ccccc34)C2)c1OC ZINC000012192453 558348101 /nfs/dbraw/zinc/34/81/01/558348101.db2.gz ZLROBFLQINHSMG-KRWDZBQOSA-N 0 3 407.514 3.827 50 0 HHAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)c1coc2c1C(=O)CCC2 ZINC000012228885 558357629 /nfs/dbraw/zinc/35/76/29/558357629.db2.gz DVFRAZPJTYWSSO-UHFFFAOYSA-N 0 3 412.505 3.964 50 0 HHAAHN Cc1c([C@@H](C)NCc2cn(CC(N)=O)c3ccccc23)cnn1-c1cccc(F)c1 ZINC000012305987 558374893 /nfs/dbraw/zinc/37/48/93/558374893.db2.gz QFHUNSZFYSTPSO-OAHLLOKOSA-N 0 3 405.477 3.611 50 0 HHAAHN Cc1cc(C)c(C(=O)N(CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)o1 ZINC000012314478 558377858 /nfs/dbraw/zinc/37/78/58/558377858.db2.gz KITZLUXXKRQRIF-HXUWFJFHSA-N 0 3 415.553 3.952 50 0 HHAAHN CCN1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccccc2Cl)C1=O ZINC000020517767 558383156 /nfs/dbraw/zinc/38/31/56/558383156.db2.gz GCEXEQFACKFRMH-DAMBIUFKSA-N 0 3 409.917 3.942 50 0 HHAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccsc1 ZINC000012373306 558390641 /nfs/dbraw/zinc/39/06/41/558390641.db2.gz GTBAVGKKIMWVSV-GOSISDBHSA-N 0 3 403.567 3.803 50 0 HHAAHN CN(Cc1nc2ccccc2o1)Cc1ccc(OC[C@@H](O)CN2CCCCC2)cc1 ZINC000012438722 558409994 /nfs/dbraw/zinc/40/99/94/558409994.db2.gz UAJMOVQIPDFGJU-FQEVSTJZSA-N 0 3 409.530 3.685 50 0 HHAAHN CCc1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000020998002 558427578 /nfs/dbraw/zinc/42/75/78/558427578.db2.gz KHIDEZSFUASJQW-JOCHJYFZSA-N 0 3 421.545 3.619 50 0 HHAAHN CCN1CCN(C(=O)C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1 ZINC000012630961 558441802 /nfs/dbraw/zinc/44/18/02/558441802.db2.gz MFOBHDULLINQGA-UHFFFAOYSA-N 0 3 407.558 3.855 50 0 HHAAHN CCOc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)cc1 ZINC000021795204 558449507 /nfs/dbraw/zinc/44/95/07/558449507.db2.gz JVZIPLFNYJHAGG-UHFFFAOYSA-N 0 3 424.549 3.528 50 0 HHAAHN CCCn1ncc(CN2CCC[C@@](Cc3cccc(OC)c3)(C(=O)OCC)C2)c1C ZINC000012707337 558450265 /nfs/dbraw/zinc/45/02/65/558450265.db2.gz UXNPYKVMKYXZSP-DEOSSOPVSA-N 0 3 413.562 3.998 50 0 HHAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000021807540 558450895 /nfs/dbraw/zinc/45/08/95/558450895.db2.gz IUFXCNCIVCEPMQ-FQEVSTJZSA-N 0 3 419.481 3.680 50 0 HHAAHN COc1ccc(C(=O)NC2CC2)c(OC2CCN([C@@H](C)COc3ccccc3)CC2)c1 ZINC000012713653 558453860 /nfs/dbraw/zinc/45/38/60/558453860.db2.gz QOUIUFUYPGCIHP-SFHVURJKSA-N 0 3 424.541 3.898 50 0 HHAAHN COC(=O)CCCC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccc(C(C)C)cc1)C2 ZINC000012713153 558453870 /nfs/dbraw/zinc/45/38/70/558453870.db2.gz AZVZRLKEIYAMKM-DEOSSOPVSA-N 0 3 400.563 3.968 50 0 HHAAHN COc1cc([C@@H](C)O)ccc1COc1ccc(CNC[C@H]2CCCO2)cc1OC ZINC000012910075 558484505 /nfs/dbraw/zinc/48/45/05/558484505.db2.gz QOQJZCQGABFMGG-OXQOHEQNSA-N 0 3 401.503 3.605 50 0 HHAAHN CN(C)Cc1ccc(CNC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCCC2)cc1 ZINC000012983129 558494074 /nfs/dbraw/zinc/49/40/74/558494074.db2.gz MRWDNAYOHNWGLG-UHFFFAOYSA-N 0 3 418.541 3.505 50 0 HHAAHN CCOC(=O)N1CCN([C@H]2CCCN(Cc3cnc(-c4ccccc4)s3)C2)CC1 ZINC000023359408 558551930 /nfs/dbraw/zinc/55/19/30/558551930.db2.gz OSZYZHZVTDETFN-IBGZPJMESA-N 0 3 414.575 3.549 50 0 HHAAHN Cc1ccc(NC(=O)CC2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)c(F)c1 ZINC000023382293 558555770 /nfs/dbraw/zinc/55/57/70/558555770.db2.gz KBCHKCKRUCNBKI-MGPUTAFESA-N 0 3 422.460 3.579 50 0 HHAAHN CSc1ccc(N2C[C@@H](C(=O)NC[C@@H](c3ccccc3)N3CCCC3)CC2=O)cc1 ZINC000025287794 558636819 /nfs/dbraw/zinc/63/68/19/558636819.db2.gz NBIGYDWDHMZCJE-UGKGYDQZSA-N 0 3 423.582 3.715 50 0 HHAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc(-n3ccnc3)nc2)cc1 ZINC000025576356 558644282 /nfs/dbraw/zinc/64/42/82/558644282.db2.gz YMBNTPDVXUSXRW-UHFFFAOYSA-N 0 3 411.509 3.926 50 0 HHAAHN CC(C)(C)OC(=O)N1CCC(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000025898170 558651781 /nfs/dbraw/zinc/65/17/81/558651781.db2.gz GAPDJVWCYSCZIT-UHFFFAOYSA-N 0 3 415.578 3.587 50 0 HHAAHN CCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccc(C)cc3)CC2)C1=O ZINC000014532652 558656640 /nfs/dbraw/zinc/65/66/40/558656640.db2.gz HJTHUHSVTUXJBS-UHFFFAOYSA-N 0 3 405.542 3.856 50 0 HHAAHN CN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1c[nH]c3ccccc13)CC2 ZINC000014744574 558668548 /nfs/dbraw/zinc/66/85/48/558668548.db2.gz RCHTZKFTZXEARU-UHFFFAOYSA-N 0 3 402.498 3.597 50 0 HHAAHN CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H](NCc1cccc(F)c1F)CC2 ZINC000014746135 558669102 /nfs/dbraw/zinc/66/91/02/558669102.db2.gz JPWRWVQXNORBKG-GOSISDBHSA-N 0 3 424.495 3.559 50 0 HHAAHN O=C1CCN(CCCc2ccccc2)CCN1Cc1cc2c(cc1Cl)OCO2 ZINC000014886289 558677419 /nfs/dbraw/zinc/67/74/19/558677419.db2.gz QWDNKDXCUHUMMO-UHFFFAOYSA-N 0 3 400.906 3.736 50 0 HHAAHN CN(C)[C@H](CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1ccccc1 ZINC000028957092 558708013 /nfs/dbraw/zinc/70/80/13/558708013.db2.gz DHHPQPXOUPJBEJ-AEFFLSMTSA-N 0 3 403.935 3.562 50 0 HHAAHN COc1ccc([C@@H]2[C@H](COC(=O)CCCNC(=O)OC(C)(C)C)CCCN2C)cc1 ZINC000072289682 558722524 /nfs/dbraw/zinc/72/25/24/558722524.db2.gz UYCUZMNLVLTQNF-GHTZIAJQSA-N 0 3 420.550 3.926 50 0 HHAAHN COc1cc(CNC[C@@H](O)Cn2cnc3cc(C)c(C)cc32)c(SC)cc1OC ZINC000072294569 558742711 /nfs/dbraw/zinc/74/27/11/558742711.db2.gz GUOKYGKUIASUDW-QGZVFWFLSA-N 0 3 415.559 3.543 50 0 HHAAHN Cc1ccc(NC(=O)CC2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)c(C)c1 ZINC000030937537 558744841 /nfs/dbraw/zinc/74/48/41/558744841.db2.gz DFPLCWIPPRNNPV-UWJYYQICSA-N 0 3 418.497 3.749 50 0 HHAAHN O=C(COCc1cc(-c2cccs2)on1)NC1CCN(Cc2ccccc2)CC1 ZINC000015679210 558748835 /nfs/dbraw/zinc/74/88/35/558748835.db2.gz XYNGAARNCOYOPW-UHFFFAOYSA-N 0 3 411.527 3.701 50 0 HHAAHN C[C@@H](NC(=O)CN(C)C1CCN(CCc2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000072308297 558770196 /nfs/dbraw/zinc/77/01/96/558770196.db2.gz BJXOJLGTLJBLNH-GOSISDBHSA-N 0 3 414.981 3.551 50 0 HHAAHN CCN(CC)Cc1cccc(NC(=O)CNC(=O)c2cc(-c3ccccc3)on2)c1 ZINC000060332560 558848810 /nfs/dbraw/zinc/84/88/10/558848810.db2.gz QLDYXIMZPHQKJG-UHFFFAOYSA-N 0 3 406.486 3.552 50 0 HHAAHN Cc1ccccc1-c1ccc(N2CCC[C@H](C(=O)NCCN3CCCC[C@@H]3C)C2)nn1 ZINC000035397998 558893731 /nfs/dbraw/zinc/89/37/31/558893731.db2.gz UYAZVZQXNBLBRO-SFTDATJTSA-N 0 3 421.589 3.659 50 0 HHAAHN O=C(C[C@H]1Sc2ccccc2NC1=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000058065879 558897842 /nfs/dbraw/zinc/89/78/42/558897842.db2.gz WBIAMUNDHGLPRS-WIYYLYMNSA-N 0 3 409.555 3.660 50 0 HHAAHN Cc1ccc([C@@H](CNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCCC2)cc1 ZINC000058099050 558898665 /nfs/dbraw/zinc/89/86/65/558898665.db2.gz RADXSJHZUKSNQP-OJNXCIKNSA-N 0 3 423.601 3.581 50 0 HHAAHN O=C(Nc1ccc2c(c1)OCCO2)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000058167137 558907292 /nfs/dbraw/zinc/90/72/92/558907292.db2.gz GQPKTIXZQLCVOY-HXUWFJFHSA-N 0 3 406.404 3.851 50 0 HHAAHN OC[C@@]1(O)CCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)CCC4)C1 ZINC000072434396 558979899 /nfs/dbraw/zinc/97/98/99/558979899.db2.gz JJDSZQQAZDKSEI-XMMPIXPASA-N 0 3 408.929 3.973 50 0 HHAAHN Cc1ccc(-c2noc(CNC(=O)C3CCN(Cc4cccc(C)c4)CC3)n2)cc1 ZINC000067622126 558989910 /nfs/dbraw/zinc/98/99/10/558989910.db2.gz NTWDZXLWHSOSRB-UHFFFAOYSA-N 0 3 404.514 3.882 50 0 HHAAHN COc1ccc(CN2CCN(Cc3cccc4cnccc43)C[C@@H]2CCO)c(C)c1C ZINC000076973266 558998866 /nfs/dbraw/zinc/99/88/66/558998866.db2.gz WNDPZLUVNYFMAG-DEOSSOPVSA-N 0 3 419.569 3.929 50 0 HHAAHN O=C(c1ccccc1N1CCCC1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095386901 559080729 /nfs/dbraw/zinc/08/07/29/559080729.db2.gz KLVKTDQEUOXEKT-ICDZXHCJSA-N 0 3 401.554 3.989 50 0 HHAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000100722301 559138486 /nfs/dbraw/zinc/13/84/86/559138486.db2.gz JYJQMKATQMDTHU-BHIFYINESA-N 0 3 400.434 3.746 50 0 HHAAHN Cc1ccccc1N1OC2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]1c1ccncc1 ZINC000100723574 559138509 /nfs/dbraw/zinc/13/85/09/559138509.db2.gz XJZAFMJCRHXMSW-ACRUOGEOSA-N 0 3 403.413 3.580 50 0 HHAAHN Cc1cc(S(=O)(=O)[N-]CC2CC[NH+]([C@H]3CCSC3)CC2)c(Cl)cc1Cl ZINC000225574059 559189270 /nfs/dbraw/zinc/18/92/70/559189270.db2.gz PDHWKKWIZNDHNY-AWEZNQCLSA-N 0 3 423.431 3.798 50 0 HHAAHN CCN1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000005093984 559244417 /nfs/dbraw/zinc/24/44/17/559244417.db2.gz YJWOUFKMTVTPQM-IBGZPJMESA-N 0 3 421.497 3.779 50 0 HHAAHN CC(C(=O)N[C@H]1CCCC[C@H]1C)S(=O)(=O)Cc1csc(-c2cccs2)n1 ZINC000248010854 559259299 /nfs/dbraw/zinc/25/92/99/559259299.db2.gz YGGQQMPCOLDQJG-IPYPFGDCSA-N 0 3 412.602 3.870 50 0 HHAAHN CN(C)CCCn1cnc2c(c1=N)[C@H](c1ccc(Cl)cc1)c1ccc(O)cc1O2 ZINC000005347393 560570701 /nfs/dbraw/zinc/57/07/01/560570701.db2.gz PJLNEAQLCGINNJ-LJQANCHMSA-N 0 3 410.905 3.959 50 0 HHAAHN O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000018223095 560785101 /nfs/dbraw/zinc/78/51/01/560785101.db2.gz CUUXDDIYBCFWPA-GOSISDBHSA-N 0 3 402.281 3.939 50 0 HHAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccnc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102005382 560807259 /nfs/dbraw/zinc/80/72/59/560807259.db2.gz TVDUNKYDUZOHKX-SLFFLAALSA-N 0 3 405.841 3.786 50 0 HHAAHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C1=O ZINC000102699131 560820217 /nfs/dbraw/zinc/82/02/17/560820217.db2.gz ABBALDGNDSAVGV-BHIFYINESA-N 0 3 400.434 3.746 50 0 HHAAHN COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1ccccc1 ZINC000102727819 560821966 /nfs/dbraw/zinc/82/19/66/560821966.db2.gz DVRPZJPCGJGFTH-YPAWHYETSA-N 0 3 418.424 3.885 50 0 HHAAHN CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccnc2)cc1 ZINC000103561195 560843239 /nfs/dbraw/zinc/84/32/39/560843239.db2.gz PQIFHYRZSUYMNW-FDFHNCONSA-N 0 3 415.449 3.531 50 0 HHAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccnc4)[C@@H]3C2=O)cc1 ZINC000103561195 560843241 /nfs/dbraw/zinc/84/32/41/560843241.db2.gz PQIFHYRZSUYMNW-FDFHNCONSA-N 0 3 415.449 3.531 50 0 HHAAHN Cc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)nnn1-c1ccc(Cl)cc1 ZINC000051318190 560858500 /nfs/dbraw/zinc/85/85/00/560858500.db2.gz FUKSIEZFJLGDDN-UHFFFAOYSA-N 0 3 409.921 3.624 50 0 HHAAHN CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000022680810 568497289 /nfs/dbraw/zinc/49/72/89/568497289.db2.gz MPFXOCYITZBPPZ-PXNSSMCTSA-N 0 3 417.575 3.685 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(OC)c(OC)c3)c(C)c2)CC1 ZINC000025185081 568516221 /nfs/dbraw/zinc/51/62/21/568516221.db2.gz JXROLEBSDJHWFE-YRNVUSSQSA-N 0 3 409.530 3.806 50 0 HHAAHN COc1ccc(-n2ccc(CN[C@@H]3CC4(CCN(C)CC4)Oc4ccccc43)n2)cc1 ZINC000095462836 568621745 /nfs/dbraw/zinc/62/17/45/568621745.db2.gz ZBRYKFLYNCHNCX-HSZRJFAPSA-N 0 3 418.541 3.959 50 0 HHAAHN COCCNCc1cnc(C)c2oc(C(=O)c3ccc(Br)cc3)cc21 ZINC000095472713 568628148 /nfs/dbraw/zinc/62/81/48/568628148.db2.gz COYVSRVLYOAEFU-UHFFFAOYSA-N 0 3 403.276 3.866 50 0 HHAAHN COc1ccc(CC[C@@H](C)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1O ZINC000225424909 568637018 /nfs/dbraw/zinc/63/70/18/568637018.db2.gz KOLIAGFBCDOCRP-FZKQIMNGSA-N 0 3 406.885 3.910 50 0 HHAAHN Cc1nc2cccnc2n1-c1cccc(C(=O)N2CCN(C3CCCCC3)CC2)c1 ZINC000020934260 568652114 /nfs/dbraw/zinc/65/21/14/568652114.db2.gz QOVZAYKIRRNMHY-UHFFFAOYSA-N 0 3 403.530 3.819 50 0 HHAAHN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000229631533 568714499 /nfs/dbraw/zinc/71/44/99/568714499.db2.gz QBVKBHYCCRSXQX-BRWVUGGUSA-N 0 3 402.970 3.989 50 0 HHAAHN COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000229881559 568715719 /nfs/dbraw/zinc/71/57/19/568715719.db2.gz JYJQMKATQMDTHU-BHDDXSALSA-N 0 3 400.434 3.746 50 0 HHAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000229881559 568715721 /nfs/dbraw/zinc/71/57/21/568715721.db2.gz JYJQMKATQMDTHU-BHDDXSALSA-N 0 3 400.434 3.746 50 0 HHAAHN Cn1c(SCCN2CCCCC2)nnc1C1CCN(Cc2ccsc2)CC1 ZINC000014996869 568722957 /nfs/dbraw/zinc/72/29/57/568722957.db2.gz SFEFXLPTURQNFL-UHFFFAOYSA-N 0 3 405.637 3.834 50 0 HHAAHN Cc1ccc(C)c(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)c1 ZINC000021795161 568753815 /nfs/dbraw/zinc/75/38/15/568753815.db2.gz YSBDEUMGNHKYCM-UHFFFAOYSA-N 0 3 408.550 3.746 50 0 HHAAHN O=C(c1ccccc1)N1CCCCC(S(=O)(=O)c2ccc3ccccc3c2)C1=O ZINC000000948442 568754341 /nfs/dbraw/zinc/75/43/41/568754341.db2.gz FIMUHFBHAOIHPF-OAQYLSRUSA-N 0 3 407.491 3.835 50 0 HHAAHN COc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCC4)cc3)CCOCC2)cc1 ZINC000225584128 568774818 /nfs/dbraw/zinc/77/48/18/568774818.db2.gz MOZHALWCICXVFI-UHFFFAOYSA-N 0 3 424.541 3.857 50 0 biogenic HHAAHN Nc1nc(Cl)cc(NCc2ccccc2CN2CCN(c3ccccc3)CC2)n1 ZINC000029620680 568827999 /nfs/dbraw/zinc/82/79/99/568827999.db2.gz PDXSXYLKQOWTDK-UHFFFAOYSA-N 0 3 408.937 3.647 50 0 HHAAHN CCOCc1cc(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)ccc1OC ZINC000012596949 568869175 /nfs/dbraw/zinc/86/91/75/568869175.db2.gz NXHFBKNVWKPLAG-UHFFFAOYSA-N 0 3 412.534 3.614 50 0 HHAAHN CCCCn1cnc2sc3c(c2c1=O)CC[C@@H](NCc1cn2c(cccc2C)n1)C3 ZINC000299799662 568876500 /nfs/dbraw/zinc/87/65/00/568876500.db2.gz UKVJGNBEYZUAMN-MRXNPFEDSA-N 0 3 421.570 3.861 50 0 HHAAHN CN(C)[C@H](CNc1nc(NC[C@@H](c2ccco2)N(C)C)ncc1Cl)c1ccco1 ZINC000083847771 568918559 /nfs/dbraw/zinc/91/85/59/568918559.db2.gz UDRKVVRIGCOIDX-CVEARBPZSA-N 0 3 418.929 3.746 50 0 HHAAHN C[C@@H]1CCc2[nH]c3c(cccc3C(=O)Nc3ccc(C(=O)NCCN(C)C)cc3)c2C1 ZINC000031457780 568926575 /nfs/dbraw/zinc/92/65/75/568926575.db2.gz HYBZFLZZLLRTMB-MRXNPFEDSA-N 0 3 418.541 3.836 50 0 HHAAHN O=C(NC[C@H](c1ccccc1)N1CCCCCC1)c1csc(-c2ncccn2)n1 ZINC000670452171 568928302 /nfs/dbraw/zinc/92/83/02/568928302.db2.gz QERCOJAPYMSOFF-LJQANCHMSA-N 0 3 407.543 3.947 50 0 HHAAHN Cn1cc(CCC(=O)OC[C@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000084318340 568945932 /nfs/dbraw/zinc/94/59/32/568945932.db2.gz VBXGEFKAIZDEBB-YLJYHZDGSA-N 0 3 409.452 3.998 50 0 HHAAHN COc1cccc([C@H](CN[C@H](C)C(=O)N2CCCC2)c2c[nH]c3ccccc32)c1OC ZINC000008323981 568990767 /nfs/dbraw/zinc/99/07/67/568990767.db2.gz HFXROQJCCNMMGU-UTKZUKDTSA-N 0 3 421.541 3.918 50 0 HHAAHN CCOC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000035107882 568992049 /nfs/dbraw/zinc/99/20/49/568992049.db2.gz AHIUEMBECMBWDH-FXAWDEMLSA-N 0 3 411.550 3.685 50 0 biogenic HHAAHN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N[C@@H](CN(C)C)c3ccccc3)c12 ZINC000012882359 569018973 /nfs/dbraw/zinc/01/89/73/569018973.db2.gz WDQWKVSCQRGZRO-IBGZPJMESA-N 0 3 403.486 3.569 50 0 HHAAHN O=C(NCC1CCN(Cc2ccccc2F)CC1)c1csc(-c2ccncc2)n1 ZINC000064667445 569078478 /nfs/dbraw/zinc/07/84/78/569078478.db2.gz HUSLTCFEXPWALR-UHFFFAOYSA-N 0 3 410.518 3.986 50 0 HHAAHN CCN(CC)CCNCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC)cc21 ZINC000019371742 569124669 /nfs/dbraw/zinc/12/46/69/569124669.db2.gz JOLDWQJWIIWEJF-UHFFFAOYSA-N 0 3 424.545 3.560 50 0 HHAAHN Cc1ccc(Oc2nccnc2SCC(=O)NCCN2CCCC[C@H]2C)cc1 ZINC000065111032 569178868 /nfs/dbraw/zinc/17/88/68/569178868.db2.gz XSIRUYZQJGHBAQ-QGZVFWFLSA-N 0 3 400.548 3.660 50 0 HHAAHN COc1ccc(NC(=O)c2ccnc(N3CCN[C@H](c4ccccc4)C3)c2)cc1OC ZINC000065255923 569208038 /nfs/dbraw/zinc/20/80/38/569208038.db2.gz DNGRDEARFBJROK-FQEVSTJZSA-N 0 3 418.497 3.502 50 0 HHAAHN CCOc1ccc(NC(=O)c2cccc(N3CCN[C@@H](c4ccccc4)C3)n2)cc1 ZINC000065256304 569208413 /nfs/dbraw/zinc/20/84/13/569208413.db2.gz GJLWQYPXQJJLOD-JOCHJYFZSA-N 0 3 402.498 3.884 50 0 HHAAHN O=C(C[C@@H](c1cccs1)n1cccc1)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000170610648 569245292 /nfs/dbraw/zinc/24/52/92/569245292.db2.gz QZBGWHXOWHIDJF-YADHBBJMSA-N 0 3 423.582 3.802 50 0 HHAAHN O=C(NC[C@H]1CCN(c2ccccc2)C1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000252467349 569287138 /nfs/dbraw/zinc/28/71/38/569287138.db2.gz FJNSNQCJKHTLOS-DHIUTWEWSA-N 0 3 406.574 3.724 50 0 HHAAHN COc1cc(-c2noc(CN(C(C)C)[C@H]3CCCC[C@H]3O)n2)ccc1OC(F)F ZINC000252477335 569288301 /nfs/dbraw/zinc/28/83/01/569288301.db2.gz MFWWLKNNZOSBRR-LSDHHAIUSA-N 0 3 411.449 3.861 50 0 HHAAHN Cc1cc(CN2CCC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)on1 ZINC000252488131 569289479 /nfs/dbraw/zinc/28/94/79/569289479.db2.gz ILBUDUARSLYLFP-UHFFFAOYSA-N 0 3 408.468 3.788 50 0 HHAAHN FC(F)(F)c1ccc(N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)nc1 ZINC000252488832 569289490 /nfs/dbraw/zinc/28/94/90/569289490.db2.gz IZYYZYGCVICMJU-UHFFFAOYSA-N 0 3 404.480 3.887 50 0 HHAAHN Cc1ccccc1CN(C(=O)C1CCCC1)c1ccc(CC(=O)NCCN(C)C)cc1 ZINC000037555574 569306374 /nfs/dbraw/zinc/30/63/74/569306374.db2.gz BVRCSHSBTMEPKK-UHFFFAOYSA-N 0 3 421.585 3.939 50 0 HHAAHN O=C(COc1ccc(C(=O)c2ccccc2)cc1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000007792065 569310946 /nfs/dbraw/zinc/31/09/46/569310946.db2.gz ABBGAKFHMWXDHA-QHCPKHFHSA-N 0 3 414.505 3.687 50 0 HHAAHN Cc1cc(NC(=O)CN[C@H]2CCN(C)[C@H]2c2ccccc2)ccc1Br ZINC000253415742 569367107 /nfs/dbraw/zinc/36/71/07/569367107.db2.gz RMAZQVBCSWZSOJ-ICSRJNTNSA-N 0 3 402.336 3.731 50 0 HHAAHN Cc1cc(NC(=O)CN[C@H]2[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@H]2C)n(C(C)(C)C)n1 ZINC000253417382 569367417 /nfs/dbraw/zinc/36/74/17/569367417.db2.gz SBSQIYPSGJBGMP-ZSZQSSIHSA-N 0 3 421.586 3.509 50 0 HHAAHN CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OC)cc1 ZINC000002418252 569397580 /nfs/dbraw/zinc/39/75/80/569397580.db2.gz PAKVMWRXCZGXBR-OAQYLSRUSA-N 0 3 406.482 3.689 50 0 HHAAHN Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1CNCCc1nncn1C ZINC000078869815 569420928 /nfs/dbraw/zinc/42/09/28/569420928.db2.gz ZVBMMCCGCSOAIH-UHFFFAOYSA-N 0 3 413.740 3.661 50 0 HHAAHN CCN1CCN(Cc2ccccc2CNC(=O)c2ccc(Cl)nc2SC)CC1 ZINC000079054615 569425809 /nfs/dbraw/zinc/42/58/09/569425809.db2.gz TYWNJSPCKHJKOL-UHFFFAOYSA-N 0 3 418.994 3.524 50 0 HHAAHN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000040070937 571151409 /nfs/dbraw/zinc/15/14/09/571151409.db2.gz DXLUSBOIMBGNPA-DEOSSOPVSA-N 0 3 417.553 3.904 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)NCCCN(C)c3ccccc3)c(C)c2)CC1 ZINC000040103854 571164698 /nfs/dbraw/zinc/16/46/98/571164698.db2.gz HMVWSQNNGXABFL-UHFFFAOYSA-N 0 3 409.578 3.785 50 0 HHAAHN Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000040121268 571177246 /nfs/dbraw/zinc/17/72/46/571177246.db2.gz GVFJKWVZCYIVRE-LSDHHAIUSA-N 0 3 402.564 3.829 50 0 HHAAHN C[NH+](C)CCCNC(=O)C[C@H](c1ccccc1)c1cc(Br)ccc1[O-] ZINC000008990779 571206630 /nfs/dbraw/zinc/20/66/30/571206630.db2.gz SJYBSEBBKJJTET-QGZVFWFLSA-N 0 3 405.336 3.745 50 0 HHAAHN CC[C@@H](C)NC(=O)c1nnn(-c2cccc3c2CCN(Cc2ccccc2)C3)c1C ZINC000069848258 571246987 /nfs/dbraw/zinc/24/69/87/571246987.db2.gz KEIISDYZZYOWGU-QGZVFWFLSA-N 0 3 403.530 3.662 50 0 HHAAHN CSc1cccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)N(C)C)c1 ZINC000010333542 571300577 /nfs/dbraw/zinc/30/05/77/571300577.db2.gz BEHSGJIFTSJCNN-OAQYLSRUSA-N 0 3 407.539 3.919 50 0 HHAAHN COc1ccc(S(=O)(=O)NC[C@@H](c2cccc3ccccc32)N2CCCC2)cc1 ZINC000010335647 571300823 /nfs/dbraw/zinc/30/08/23/571300823.db2.gz BJQHZNPRKKTSQL-QHCPKHFHSA-N 0 3 410.539 3.964 50 0 HHAAHN CCOc1ccccc1[C@@H]1C[C@H]2CN(C3Cc4ccccc4C3)C(=O)[C@]23CCCN13 ZINC000011840222 962201005 /nfs/dbraw/zinc/20/10/05/962201005.db2.gz LZDFCHCHBJIWBD-CHZKFRDHSA-N 0 3 402.538 3.991 50 0 HHAAHN O=C(NC[C@@H]1CCCN(Cc2nc3c(s2)CCCC3)C1)c1n[nH]c2ccccc21 ZINC000011936222 962210906 /nfs/dbraw/zinc/21/09/06/962210906.db2.gz YHEORAJPLVHXGC-HNNXBMFYSA-N 0 3 409.559 3.540 50 0 HHAAHN COc1cc(CN2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)cc(OC)c1O ZINC000012092953 962236788 /nfs/dbraw/zinc/23/67/88/962236788.db2.gz VNQPVTCILDKDOB-QFIPXVFZSA-N 0 3 405.922 3.880 50 0 HHAAHN COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(Cc4cnn(C)c4)C3)cc2)c1 ZINC000012432423 962279843 /nfs/dbraw/zinc/27/98/43/962279843.db2.gz URCXIXFRWQEYRK-NRFANRHFSA-N 0 3 404.514 3.946 50 0 HHAAHN CN1CCN(C(=O)CC[C@@H]2CCCN(Cc3ccccc3OC3CCCC3)C2)CC1 ZINC000014963146 962614573 /nfs/dbraw/zinc/61/45/73/962614573.db2.gz VISQSUONZIIZHG-NRFANRHFSA-N 0 3 413.606 3.774 50 0 HHAAHN CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(CC(C)C)cc1)CC2 ZINC000014967073 962614628 /nfs/dbraw/zinc/61/46/28/962614628.db2.gz GDDWATKVBRSLTD-JOCHJYFZSA-N 0 3 411.594 3.758 50 0 HHAAHN COc1cccc(CN2CCC[C@@H]3CN(C(=O)c4cccc(F)c4)CC[C@@H]32)c1OC ZINC000015072450 962648191 /nfs/dbraw/zinc/64/81/91/962648191.db2.gz DNBQEDOZVFGLND-NQIIRXRSSA-N 0 3 412.505 3.970 50 0 HHAAHN Cc1cccn2c(CNC[C@@H]3OCCc4ccccc43)c(C(=O)N3CCCCC3)nc12 ZINC000020877594 963399816 /nfs/dbraw/zinc/39/98/16/963399816.db2.gz YBVBBHPWXAYGLS-QFIPXVFZSA-N 0 3 418.541 3.672 50 0 HHAAHN CC(C)NC(=O)[C@@H]1C[C@H](NCc2ccc(F)cc2F)CN1Cc1ccccc1Cl ZINC000039551437 966501157 /nfs/dbraw/zinc/50/11/57/966501157.db2.gz QKEGFQFVVHLSAX-RXVVDRJESA-N 0 3 421.919 3.876 50 0 HHAAHN CCN(CC)CCSC1=NC(=O)[C@H](C(c2ccccc2)c2ccccc2)C(=O)N1 ZINC000103424803 969200154 /nfs/dbraw/zinc/20/01/54/969200154.db2.gz BZHHSLXWKZIVPX-UHFFFAOYSA-N 0 3 409.555 3.522 50 0 HHAAHN Cc1nnc([C@H]2CC3(CN2C(=O)c2ccccc2)CCN(Cc2cccnc2)CC3)o1 ZINC000257184514 970621106 /nfs/dbraw/zinc/62/11/06/970621106.db2.gz IOXRDQXWVYRANZ-OAQYLSRUSA-N 0 3 417.513 3.643 50 0 HHAAHN Fc1ccc(CN2CCC(N3C[C@@H](OCC4CC4)C34CCOCC4)CC2)c(F)c1 ZINC000257186203 970621205 /nfs/dbraw/zinc/62/12/05/970621205.db2.gz YPVARFXAAJDMJL-JOCHJYFZSA-N 0 3 406.517 3.589 50 0 HHAAHN COc1cc2c(cc1OC)CN(C(=O)CCN1Cc3cc(C)ccc3O[C@@H](C)C1)CC2 ZINC000299774756 970723552 /nfs/dbraw/zinc/72/35/52/970723552.db2.gz IDXQIOWLJWLYHW-SFHVURJKSA-N 0 3 424.541 3.570 50 0 HHAAHN COc1cc2c(cc1OC)CN(C(=O)CCN1Cc3cc(C)ccc3O[C@H](C)C1)CC2 ZINC000299774751 970723606 /nfs/dbraw/zinc/72/36/06/970723606.db2.gz IDXQIOWLJWLYHW-GOSISDBHSA-N 0 3 424.541 3.570 50 0 HHAAHN COc1ccc(CN2CCC(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)cc1 ZINC000001179487 132240801 /nfs/dbraw/zinc/24/08/01/132240801.db2.gz WZVQEUGVZKZGAO-UHFFFAOYSA-N 0 3 421.585 3.873 50 0 HHAAHN Cc1ccccc1N1CCN([C@H]2CCC(=O)N(Cc3ccc(F)cc3F)CC2)CC1 ZINC000012217486 132356894 /nfs/dbraw/zinc/35/68/94/132356894.db2.gz MEGFKJRYQDCSBB-NRFANRHFSA-N 0 3 413.512 3.977 50 0 HHAAHN CCN(CC)[C@H](CNC(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccsc1 ZINC000031983242 520866356 /nfs/dbraw/zinc/86/63/56/520866356.db2.gz RVZMWBGVXPQMEH-FUHIMQAGSA-N 0 3 416.591 3.570 50 0 HHAAHN CCNC(=O)[C@@H]1C[C@H](NCc2ccc(SC)cc2)CN1Cc1cccc(Cl)c1 ZINC000032503333 521744967 /nfs/dbraw/zinc/74/49/67/521744967.db2.gz HEVDNFKKDMFKCJ-FPOVZHCZSA-N 0 3 418.006 3.931 50 0 HHAAHN CCNC(=O)[C@@H]1C[C@H](NCc2c(OC)ccc3ccccc32)CN1Cc1ccccc1 ZINC000032577807 521745030 /nfs/dbraw/zinc/74/50/30/521745030.db2.gz JFSUSXQFNQWCFL-URXFXBBRSA-N 0 3 417.553 3.717 50 0 HHAAHN COc1ccccc1CCNCc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn21 ZINC000020600265 524421466 /nfs/dbraw/zinc/42/14/66/524421466.db2.gz FCHZTFGFTWDEQC-UHFFFAOYSA-N 0 3 420.557 4.000 50 0 HHAAHN Cc1ccccc1N1OC2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]1c1ccncc1 ZINC000000635215 557029139 /nfs/dbraw/zinc/02/91/39/557029139.db2.gz XJZAFMJCRHXMSW-NJYVYQBISA-N 0 3 403.413 3.580 50 0 HHAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(I)cc1 ZINC000001642602 557278338 /nfs/dbraw/zinc/27/83/38/557278338.db2.gz HELCSESNNDZLFM-UHFFFAOYSA-N 0 3 420.294 3.686 50 0 in-vitro HHAAHN Cc1ccc(N2CCN(Cc3ccc(C(=O)NCCN4CCCCC4)cc3)CC2)cc1 ZINC000034682360 557384024 /nfs/dbraw/zinc/38/40/24/557384024.db2.gz QRXHRHMTDSEGJM-UHFFFAOYSA-N 0 3 420.601 3.533 50 0 HHAAHN Nc1c(NC(=O)NCCN2CCCCC2)c(-c2ccccc2)nn1-c1ccc(F)cc1 ZINC000034785146 557454720 /nfs/dbraw/zinc/45/47/20/557454720.db2.gz RFTVVEAFKQOVDN-UHFFFAOYSA-N 0 3 422.508 3.868 50 0 HHAAHN Cn1nnnc1SCCCNCc1cc(Cl)ccc1OCc1ccccc1F ZINC000008654591 557798820 /nfs/dbraw/zinc/79/88/20/557798820.db2.gz JHCWGQKLJOGGAR-UHFFFAOYSA-N 0 3 421.929 3.854 50 0 HHAAHN O=C(Nc1ccnn1C1CCN(Cc2ccc3nonc3c2)CC1)c1cccc(F)c1 ZINC000011769576 558274240 /nfs/dbraw/zinc/27/42/40/558274240.db2.gz LWGFHCNDJCYMQW-UHFFFAOYSA-N 0 3 420.448 3.648 50 0 HHAAHN O=C(CCc1nc(-c2ccccc2)no1)N[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000011769985 558274333 /nfs/dbraw/zinc/27/43/33/558274333.db2.gz QMSWPEWXAGOUQK-JOCHJYFZSA-N 0 3 418.541 3.883 50 0 HHAAHN COc1ccccc1-c1cc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)n[nH]1 ZINC000011820020 558283464 /nfs/dbraw/zinc/28/34/64/558283464.db2.gz TYBUGCYZPSUXQW-GOSISDBHSA-N 0 3 422.504 3.961 50 0 HHAAHN CCc1ccc(NC(=O)CC2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)cc1 ZINC000019817503 558287923 /nfs/dbraw/zinc/28/79/23/558287923.db2.gz UEJOEFNBEWUOIH-GHTZIAJQSA-N 0 3 418.497 3.694 50 0 HHAAHN COc1cc(CN2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)ccc1F ZINC000019841070 558294046 /nfs/dbraw/zinc/29/40/46/558294046.db2.gz KFUBOLGRZBKLLL-NRFANRHFSA-N 0 3 401.501 3.760 50 0 HHAAHN C[C@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000011910978 558296905 /nfs/dbraw/zinc/29/69/05/558296905.db2.gz YHOONRXVGGIWAB-SFHVURJKSA-N 0 3 415.541 3.591 50 0 HHAAHN CCCCOc1c(I)cc(CNCCN(C)C)cc1OCC ZINC000019922781 558307358 /nfs/dbraw/zinc/30/73/58/558307358.db2.gz ZVTKAGYOTLTGEI-UHFFFAOYSA-N 0 3 420.335 3.520 50 0 HHAAHN CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000019956655 558315023 /nfs/dbraw/zinc/31/50/23/558315023.db2.gz YKAABNBEPBHASU-HXUWFJFHSA-N 0 3 423.557 3.546 50 0 HHAAHN CC1=C(CCN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)C(C)(C)CCC1 ZINC000012054347 558315127 /nfs/dbraw/zinc/31/51/27/558315127.db2.gz JHNXZDPRHOVKEL-SFHVURJKSA-N 0 3 401.599 3.886 50 0 HHAAHN COc1ccccc1/C=C/CN1CCC(n2nccc2NC(=O)c2cccnc2)CC1 ZINC000020119861 558337072 /nfs/dbraw/zinc/33/70/72/558337072.db2.gz LBHNGSXGOJSRJO-VMPITWQZSA-N 0 3 417.513 3.889 50 0 HHAAHN OCC[C@H]1CN(C2CCN(c3ccc(Cl)cc3)CC2)CCN1Cc1ccccc1 ZINC000020452616 558366879 /nfs/dbraw/zinc/36/68/79/558366879.db2.gz JSSUDFYYXWDONC-DEOSSOPVSA-N 0 3 413.993 3.878 50 0 HHAAHN Cc1cn2c(C(=O)N(C)C[C@H]3CCCN(CCc4ccccc4F)C3)csc2n1 ZINC000012302464 558372145 /nfs/dbraw/zinc/37/21/45/558372145.db2.gz MCHJQKPCCKVFAU-QGZVFWFLSA-N 0 3 414.550 3.870 50 0 HHAAHN Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000012306578 558375269 /nfs/dbraw/zinc/37/52/69/558375269.db2.gz XDWZQSFXSXZQIB-NRFANRHFSA-N 0 3 416.525 3.966 50 0 HHAAHN OC[C@H]1CCCN(Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000012314590 558378098 /nfs/dbraw/zinc/37/80/98/558378098.db2.gz CXJHBAATRGEOQL-IBGZPJMESA-N 0 3 405.498 3.531 50 0 HHAAHN COC(=O)c1cccc(C(=O)N(C)CC2CCN(CCc3ccc(F)cc3)CC2)c1 ZINC000012315021 558378338 /nfs/dbraw/zinc/37/83/38/558378338.db2.gz SKJWADKFVCGYOS-UHFFFAOYSA-N 0 3 412.505 3.639 50 0 HHAAHN COc1ccc(-c2nn(-c3ccccc3C)cc2CNCCN2CCOC2=O)cc1F ZINC000012387258 558396116 /nfs/dbraw/zinc/39/61/16/558396116.db2.gz XTEIXYYOGZHNNQ-UHFFFAOYSA-N 0 3 424.476 3.537 50 0 HHAAHN COc1cc(C(=O)N[C@H](c2ccccn2)C(F)(F)F)ccc1OC1CCN(C)CC1 ZINC000012387804 558396645 /nfs/dbraw/zinc/39/66/45/558396645.db2.gz LURCTNDLPHTZBX-LJQANCHMSA-N 0 3 423.435 3.597 50 0 HHAAHN CCOc1ccc(CN2CCC(n3nccc3NC(=O)c3cccnc3)CC2)cc1 ZINC000012442787 558412619 /nfs/dbraw/zinc/41/26/19/558412619.db2.gz ZCJVQSOPRWDGGT-UHFFFAOYSA-N 0 3 405.502 3.766 50 0 HHAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCN(CCC(C)C)[C@@H](CCO)C1 ZINC000020908617 558421720 /nfs/dbraw/zinc/42/17/20/558421720.db2.gz UGCGHCLEVHEWLA-QFIPXVFZSA-N 0 3 402.558 3.543 50 0 HHAAHN Cc1ccc(C)c(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c1 ZINC000020993883 558426536 /nfs/dbraw/zinc/42/65/36/558426536.db2.gz HOXXHZMKITYHDE-QFIPXVFZSA-N 0 3 421.545 3.673 50 0 HHAAHN CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(Cc2cccc3c2OCO3)C1 ZINC000012713435 558453855 /nfs/dbraw/zinc/45/38/55/558453855.db2.gz FFEVATIZFAXHBO-XMMPIXPASA-N 0 3 411.498 3.812 50 0 HHAAHN COCc1cc(CN2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)ccc1OC ZINC000022914465 558521197 /nfs/dbraw/zinc/52/11/97/558521197.db2.gz YXPAOVPHNNTSEM-XMMPIXPASA-N 0 3 409.574 3.628 50 0 HHAAHN CC(C)N1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H]1CCO ZINC000022919854 558522565 /nfs/dbraw/zinc/52/25/65/558522565.db2.gz ROBMEYMLOXIAHC-DEOSSOPVSA-N 0 3 404.558 3.816 50 0 HHAAHN Cc1cccc(NC(=O)CC2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)c1 ZINC000023382386 558555908 /nfs/dbraw/zinc/55/59/08/558555908.db2.gz MBXFWKINGRXSJA-OAQYLSRUSA-N 0 3 411.465 3.856 50 0 HHAAHN O=C(CC1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccc(F)cc1 ZINC000023411286 558557707 /nfs/dbraw/zinc/55/77/07/558557707.db2.gz GZHZHBRZTWHZJA-FQEVSTJZSA-N 0 3 415.428 3.687 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)CCc3nc(-c4ccccc4)no3)c(C)c2)CC1 ZINC000023793416 558575898 /nfs/dbraw/zinc/57/58/98/558575898.db2.gz DKYPUFCHEZPHAM-UHFFFAOYSA-N 0 3 419.529 3.758 50 0 HHAAHN CCN1CCN(C(=O)[C@H](C)NC[C@H](c2cccs2)c2c[nH]c3ccccc32)CC1 ZINC000024258859 558593373 /nfs/dbraw/zinc/59/33/73/558593373.db2.gz RGXHXEQOMFBAJA-PXNSSMCTSA-N 0 3 410.587 3.504 50 0 HHAAHN CCC(=O)Nc1ccc2c(c1)nc(CCN1CCN(c3ccc(C)cc3)CC1)n2C ZINC000013816125 558596246 /nfs/dbraw/zinc/59/62/46/558596246.db2.gz YIMCEBUNAMVKHA-UHFFFAOYSA-N 0 3 405.546 3.595 50 0 HHAAHN COc1cc(CNC[C@H]2COc3ccccc3O2)ccc1OCc1c(C)noc1C ZINC000025261910 558636119 /nfs/dbraw/zinc/63/61/19/558636119.db2.gz LCDWBSUZJWNHKS-SFHVURJKSA-N 0 3 410.470 3.809 50 0 HHAAHN CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](N1CC=C(c3ccccc3)CC1)C2 ZINC000014536162 558658210 /nfs/dbraw/zinc/65/82/10/558658210.db2.gz DVMZLFMHBYPJKW-NRFANRHFSA-N 0 3 404.558 3.786 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)c3cccc(OC[C@@H]4CCCO4)c3)c(C)c2)CC1 ZINC000026359627 558659452 /nfs/dbraw/zinc/65/94/52/558659452.db2.gz IRKWGVSOOLCUKK-QHCPKHFHSA-N 0 3 423.557 3.947 50 0 HHAAHN CCCCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2ccc(O)cc2)C1 ZINC000014540353 558659683 /nfs/dbraw/zinc/65/96/83/558659683.db2.gz OSTKRBHOUUXUJR-VQTJNVASSA-N 0 3 414.521 3.965 50 0 HHAAHN CN(C)C[C@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1ccccc1 ZINC000028971564 558708259 /nfs/dbraw/zinc/70/82/59/558708259.db2.gz JRWNHMFFAXYRSQ-FUHWJXTLSA-N 0 3 403.935 3.562 50 0 HHAAHN CC[C@@H]1CCCCN1Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000015067245 558710228 /nfs/dbraw/zinc/71/02/28/558710228.db2.gz ABLSGFLPCIFIAL-SCKYHZLTSA-N 0 3 411.590 3.942 50 0 HHAAHN CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(Cc2cccc3nccnc23)C1 ZINC000015068890 558711488 /nfs/dbraw/zinc/71/14/88/558711488.db2.gz PCRNTDYZUZIJQI-FQEVSTJZSA-N 0 3 417.557 3.718 50 0 HHAAHN CCN1CCN(c2ccc(N[C@H](C(=O)N3CCCCC3)c3ccccc3)cc2)CC1 ZINC000015475150 558740798 /nfs/dbraw/zinc/74/07/98/558740798.db2.gz FGFRPGYEFQBCFE-DEOSSOPVSA-N 0 3 406.574 3.994 50 0 HHAAHN Cc1ccc(NC(=O)CC2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)c(C)c1 ZINC000030937540 558744987 /nfs/dbraw/zinc/74/49/87/558744987.db2.gz DFPLCWIPPRNNPV-DYESRHJHSA-N 0 3 418.497 3.749 50 0 HHAAHN COc1ccc(-c2nc(C(=O)NC[C@H](c3ccccc3)N(C)C)cs2)cc1OC ZINC000016599892 558796445 /nfs/dbraw/zinc/79/64/45/558796445.db2.gz SHMIHCQXTPATTR-GOSISDBHSA-N 0 3 411.527 3.860 50 0 HHAAHN CC(C)[C@@H](NCC(=O)NCCc1c[nH]c2ccccc12)c1ccc2c(c1)OCCCO2 ZINC000016695779 558801204 /nfs/dbraw/zinc/80/12/04/558801204.db2.gz GMSYIZQXQFZONY-RUZDIDTESA-N 0 3 421.541 3.975 50 0 HHAAHN CCN1CCN(CCNc2nc(COC)nc3scc(-c4ccccc4)c32)CC1 ZINC000060277681 558806403 /nfs/dbraw/zinc/80/64/03/558806403.db2.gz HTCVSEROKJBLSE-UHFFFAOYSA-N 0 3 411.575 3.554 50 0 HHAAHN Cc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc2n1 ZINC000018254261 558834843 /nfs/dbraw/zinc/83/48/43/558834843.db2.gz ISKKHUSIKPRBKI-UHFFFAOYSA-N 0 3 401.919 3.708 50 0 HHAAHN Cc1ccc(-n2cccn2)c(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)c1 ZINC000019221256 558851795 /nfs/dbraw/zinc/85/17/95/558851795.db2.gz GMRQTPIFZRPPEU-DEOSSOPVSA-N 0 3 404.558 3.558 50 0 HHAAHN c1cnn(-c2cccc(CN3CCC[C@@H](N4CCN(c5ccccc5)CC4)C3)c2)c1 ZINC000055307911 558878871 /nfs/dbraw/zinc/87/88/71/558878871.db2.gz CWZXMHRGETYTKU-RUZDIDTESA-N 0 3 401.558 3.659 50 0 HHAAHN O=C(C[C@H]1Sc2ccccc2NC1=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000058065882 558897782 /nfs/dbraw/zinc/89/77/82/558897782.db2.gz WBIAMUNDHGLPRS-GHTZIAJQSA-N 0 3 409.555 3.660 50 0 HHAAHN CN(C)C[C@H](Cc1ccccc1)NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000058438711 558927080 /nfs/dbraw/zinc/92/70/80/558927080.db2.gz MDTVGMANYNHCIN-NRFANRHFSA-N 0 3 420.513 3.504 50 0 HHAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3cccc4ccccc43)CC2)n1 ZINC000067601872 558987504 /nfs/dbraw/zinc/98/75/04/558987504.db2.gz IZKNMROCMOXPMQ-UHFFFAOYSA-N 0 3 415.541 3.891 50 0 HHAAHN FC(F)(F)Oc1ccc(CNc2nc(-c3cccnc3)nc3c2CCNC3)cc1 ZINC000067921252 558994740 /nfs/dbraw/zinc/99/47/40/558994740.db2.gz VCEWFORMDXIJMT-UHFFFAOYSA-N 0 3 401.392 3.695 50 0 HHAAHN CN1CCC(Cc2noc([C@H]3CCC(=O)N(Cc4ccc(Cl)cc4)C3)n2)CC1 ZINC000091664299 559072843 /nfs/dbraw/zinc/07/28/43/559072843.db2.gz RUWGOYPUQVFEGO-KRWDZBQOSA-N 0 3 402.926 3.514 50 0 HHAAHN Cc1ccc(-c2cc(C(=O)N3C[C@@H](c4ccccc4)[C@@H]4[C@H]3C3CCN4CC3)[nH]n2)o1 ZINC000095362287 559080126 /nfs/dbraw/zinc/08/01/26/559080126.db2.gz GOMHHPMYBVTYEC-CDNPAEQRSA-N 0 3 402.498 3.681 50 0 HHAAHN CN1CCN(CCCNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000248024720 559119545 /nfs/dbraw/zinc/11/95/45/559119545.db2.gz KWNJDAAJXUHYPI-VAMGGRTRSA-N 0 3 411.512 3.850 50 0 HHAAHN COc1ccc(-c2cnc3ncnn3c2N2CCN([C@@H](C)c3ccccc3)CC2)cc1 ZINC000023452185 559175564 /nfs/dbraw/zinc/17/55/64/559175564.db2.gz DSSTWFLJWOPGKQ-SFHVURJKSA-N 0 3 414.513 3.683 50 0 HHAAHN Cc1c([O-])ccc2c(C)c(CCC(=O)Nc3ccc(OCC[NH+](C)C)cc3)c(=O)oc12 ZINC000409413500 559250603 /nfs/dbraw/zinc/25/06/03/559250603.db2.gz BIXJBHHVLJIQRI-UHFFFAOYSA-N 0 3 424.497 3.627 50 0 HHAAHN CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000005156500 559259004 /nfs/dbraw/zinc/25/90/04/559259004.db2.gz MXEWBDBYFYJRFK-OAQYLSRUSA-N 0 3 406.482 3.689 50 0 HHAAHN COCc1ccc(CN2CC[C@@]3(C2)CCCN(Cc2cccc(F)c2F)C3=O)o1 ZINC000011840151 559261477 /nfs/dbraw/zinc/26/14/77/559261477.db2.gz AMNFINGMRYOHAW-JOCHJYFZSA-N 0 3 404.457 3.719 50 0 HHAAHN COc1ccc(NC(=O)[C@H]2C[C@H](C(C)C)N[C@@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000005451973 560589229 /nfs/dbraw/zinc/58/92/29/560589229.db2.gz VOQLNPKKMQJCHV-REHUZNOOSA-N 0 3 407.514 3.732 50 0 HHAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102734907 560822723 /nfs/dbraw/zinc/82/27/23/560822723.db2.gz LRKJNSYVFCUHII-SLFFLAALSA-N 0 3 405.841 3.786 50 0 HHAAHN O=C1Nc2cc(Br)ccc2[C@@H]1CN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000108173913 560898345 /nfs/dbraw/zinc/89/83/45/560898345.db2.gz ZZWMEUORAUBYTE-RDJZCZTQSA-N 0 3 405.292 3.759 50 0 HHAAHN CCN1CCN(CCCN(Cc2ccco2)C(=S)Nc2ccc(C)cc2)CC1 ZINC000020107802 568588098 /nfs/dbraw/zinc/58/80/98/568588098.db2.gz HRGPFVMGHLJLRV-UHFFFAOYSA-N 0 3 400.592 3.815 50 0 HHAAHN CN(CCC1CCN(c2ccncc2)CC1)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000095458244 568619022 /nfs/dbraw/zinc/61/90/22/568619022.db2.gz TWFWKOYMFDTVHV-UHFFFAOYSA-N 0 3 423.586 3.607 50 0 HHAAHN CCOc1ccc(C[C@@H](CNCc2cn(C)nc2-c2cccs2)C(=O)OC)cc1 ZINC000095997164 568679208 /nfs/dbraw/zinc/67/92/08/568679208.db2.gz ZEDKAKCTGCIFSK-KRWDZBQOSA-N 0 3 413.543 3.669 50 0 HHAAHN Cc1ccccc1N1OC2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]1c1ccncc1 ZINC000238950269 568727295 /nfs/dbraw/zinc/72/72/95/568727295.db2.gz XJZAFMJCRHXMSW-HBMCJLEFSA-N 0 3 403.413 3.580 50 0 HHAAHN COc1ccccc1-c1noc2ncnc(N(CCN(C)C)Cc3ccccc3)c12 ZINC000021715061 568748995 /nfs/dbraw/zinc/74/89/95/568748995.db2.gz IFKNLLLBWFQURA-UHFFFAOYSA-N 0 3 403.486 3.862 50 0 HHAAHN CCN1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2cccc(Cl)c2)C1=O ZINC000086053452 568753274 /nfs/dbraw/zinc/75/32/74/568753274.db2.gz GTCAHMKSCHRHET-CQHJRZBDSA-N 0 3 409.917 3.942 50 0 HHAAHN O=C(N1CCC(N2CCc3sccc3C2)CC1)C1(c2ccccc2)CCOCC1 ZINC000225688889 568778904 /nfs/dbraw/zinc/77/89/04/568778904.db2.gz XDNIGWLLJKHUHX-UHFFFAOYSA-N 0 3 410.583 3.846 50 0 HHAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccnc4)[C@@H]3C2=O)cc1 ZINC000230047159 568804368 /nfs/dbraw/zinc/80/43/68/568804368.db2.gz PQIFHYRZSUYMNW-BHDDXSALSA-N 0 3 415.449 3.531 50 0 HHAAHN O=C1CC[C@@H](CCNCc2cc3c(cc2Cl)OCO3)N1Cc1ccc(F)cc1 ZINC000299773978 568874502 /nfs/dbraw/zinc/87/45/02/568874502.db2.gz HCHXKLXRIKABNK-KRWDZBQOSA-N 0 3 404.869 3.879 50 0 HHAAHN O=C(NCCN1CCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1F)S2 ZINC000003587975 568917972 /nfs/dbraw/zinc/91/79/72/568917972.db2.gz WVZWNOATQPTBMX-XSFVSMFZSA-N 0 3 411.502 3.737 50 0 HHAAHN O=C(NCCN1CCCCCC1)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000015676916 568964971 /nfs/dbraw/zinc/96/49/71/568964971.db2.gz QVAOTCJHGTVYHS-UHFFFAOYSA-N 0 3 419.573 3.696 50 0 HHAAHN O=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCN(c2ccncc2)CC1 ZINC000008122285 568974561 /nfs/dbraw/zinc/97/45/61/568974561.db2.gz MWMFRHVDPXYDRY-UHFFFAOYSA-N 0 3 423.520 3.956 50 0 HHAAHN O=C(NC[C@H](c1ccccc1)N1CCCCCC1)C1(N2CCOCC2)CCCCC1 ZINC000670467773 568975135 /nfs/dbraw/zinc/97/51/35/568975135.db2.gz KIOHSYQVWKEFPU-HSZRJFAPSA-N 0 3 413.606 3.755 50 0 HHAAHN CN(C)[C@@H](CNC(=O)COc1ccc(C(=O)c2ccccc2)cc1)Cc1ccccc1 ZINC000008345582 568994451 /nfs/dbraw/zinc/99/44/51/568994451.db2.gz PYZKAGMSNKGBEL-HSZRJFAPSA-N 0 3 416.521 3.586 50 0 HHAAHN O=C(NCCCN1CCc2ccccc2C1)c1ccc2c(c1)nc1n2CCCCC1 ZINC000015786978 569007671 /nfs/dbraw/zinc/00/76/71/569007671.db2.gz PUKTUUKHOACGEI-UHFFFAOYSA-N 0 3 402.542 3.941 50 0 HHAAHN COc1ccc(CN2CCN(Cc3cccc4cccnc43)C[C@H]2CCO)cc1C ZINC000104539062 569009014 /nfs/dbraw/zinc/00/90/14/569009014.db2.gz VVVGLEUFUMRMIO-HSZRJFAPSA-N 0 3 405.542 3.621 50 0 HHAAHN C[C@@H]1CCCCN1CCNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000015862440 569015786 /nfs/dbraw/zinc/01/57/86/569015786.db2.gz YVEVAFCJAQVSJM-QGZVFWFLSA-N 0 3 420.985 3.965 50 0 HHAAHN COc1cc(NC(=O)[C@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc(OC)c1 ZINC000252515837 569057977 /nfs/dbraw/zinc/05/79/77/569057977.db2.gz NYQFFWVOAXLMOK-RBUKOAKNSA-N 0 3 408.420 3.953 50 0 HHAAHN CN(CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000006552860 569065367 /nfs/dbraw/zinc/06/53/67/569065367.db2.gz RWOXJWYTXQBZBM-UHFFFAOYSA-N 0 3 409.486 3.871 50 0 HHAAHN CCOC(=O)C1=C(CN(C)C2CCCCC2)N(CC)C(=O)N[C@@H]1c1ccsc1 ZINC000035991621 569074703 /nfs/dbraw/zinc/07/47/03/569074703.db2.gz DMLNUJWIPIVDDF-LJQANCHMSA-N 0 3 405.564 3.916 50 0 HHAAHN CCc1cc(=O)oc2cc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)ccc12 ZINC000006659679 569083958 /nfs/dbraw/zinc/08/39/58/569083958.db2.gz CVZWRKQZSKUCDJ-UHFFFAOYSA-N 0 3 420.509 3.515 50 0 HHAAHN O[C@H](COCc1ccccc1)CN(Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036103539 569092206 /nfs/dbraw/zinc/09/22/06/569092206.db2.gz CPDPHBGUCZSSQX-QHCPKHFHSA-N 0 3 405.494 3.995 50 0 HHAAHN O=C(CN1CCC[C@@H]2CCCC[C@H]21)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000036390050 569165517 /nfs/dbraw/zinc/16/55/17/569165517.db2.gz RUOAGGNHMSYGST-WMLDXEAASA-N 0 3 407.440 3.879 50 0 HHAAHN c1cc(N2CCCCC2)ncc1-c1noc(CN2CCN(C3CCCCC3)CC2)n1 ZINC000065215966 569197645 /nfs/dbraw/zinc/19/76/45/569197645.db2.gz FKBGUQIGHMMRJQ-UHFFFAOYSA-N 0 3 410.566 3.572 50 0 HHAAHN Cc1nc(C(=O)NCc2ccc(OC(F)(F)F)cc2)c(C)n1C1CCN(C)CC1 ZINC000065257263 569208637 /nfs/dbraw/zinc/20/86/37/569208637.db2.gz IIRFDVRQSQGULL-UHFFFAOYSA-N 0 3 410.440 3.595 50 0 HHAAHN O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000065512734 569233364 /nfs/dbraw/zinc/23/33/64/569233364.db2.gz ABYQXIBGBCPSGL-FQEVSTJZSA-N 0 3 410.537 3.616 50 0 HHAAHN CC[C@@H]1CN(C(=O)Nc2nc(-c3cccnc3)cs2)[C@H](CC)CN1CC(C)(C)O ZINC000170613509 569246872 /nfs/dbraw/zinc/24/68/72/569246872.db2.gz DGVXAVIHODYYOB-IAGOWNOFSA-N 0 3 417.579 3.683 50 0 HHAAHN COc1cc([C@H]2NCC3(CCCC3)c3cc4c(cc32)OCCO4)cc(OC)c1OC ZINC000002106065 569277785 /nfs/dbraw/zinc/27/77/85/569277785.db2.gz MNSJXCLIYPYURP-JOCHJYFZSA-N 0 3 411.498 3.988 50 0 biogenic HHAAHN Cc1ccoc1C(=O)NCCCNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000237765004 569281892 /nfs/dbraw/zinc/28/18/92/569281892.db2.gz FYDAKLRVECKQGX-UHFFFAOYSA-N 0 3 417.307 3.650 50 0 HHAAHN COc1cc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc(OC)c1OC ZINC000007671239 569300063 /nfs/dbraw/zinc/30/00/63/569300063.db2.gz ISFWUPSYHIHQSH-KRWDZBQOSA-N 0 3 418.559 3.977 50 0 HHAAHN CN(C)CCNC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)c2cccs2)c1 ZINC000037600830 569309058 /nfs/dbraw/zinc/30/90/58/569309058.db2.gz NEDXJHOSRPHBEP-UHFFFAOYSA-N 0 3 421.566 3.815 50 0 HHAAHN CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000002415602 569397239 /nfs/dbraw/zinc/39/72/39/569397239.db2.gz NKERNKDRFHKBAR-OAQYLSRUSA-N 0 3 406.482 3.689 50 0 HHAAHN COc1ccc(OC)c(NC(=O)NCC2CCN(Cc3ccccc3F)CC2)c1 ZINC000013363948 569412101 /nfs/dbraw/zinc/41/21/01/569412101.db2.gz BORVVBTVJCQIAG-UHFFFAOYSA-N 0 3 401.482 3.877 50 0 HHAAHN CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000040104964 571165749 /nfs/dbraw/zinc/16/57/49/571165749.db2.gz FZTCPBNHVLJGER-UHFFFAOYSA-N 0 3 422.451 3.574 50 0 HHAAHN CC(C(=O)N(C)Cc1ccccc1)S(=O)(=O)Cc1csc(-c2cccs2)n1 ZINC000040106201 571166938 /nfs/dbraw/zinc/16/69/38/571166938.db2.gz NBBOCERAYKOBDJ-CQSZACIVSA-N 0 3 420.581 3.834 50 0 HHAAHN CCN1CCN(Cc2ccc(CNC(=O)CCc3c[nH]c4ccccc34)cc2)CC1 ZINC000040115652 571173287 /nfs/dbraw/zinc/17/32/87/571173287.db2.gz DYHLQXKSKQDLPB-UHFFFAOYSA-N 0 3 404.558 3.554 50 0 HHAAHN CC(C)(C)CCN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000040157067 571204049 /nfs/dbraw/zinc/20/40/49/571204049.db2.gz QUPZQRHSHNRGDC-LJQANCHMSA-N 0 3 419.997 3.773 50 0 HHAAHN COc1ccc(NC(=O)[C@@H]2C[C@H](C(C)C)N[C@@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000009043096 571215153 /nfs/dbraw/zinc/21/51/53/571215153.db2.gz VOQLNPKKMQJCHV-ROKPMTFOSA-N 0 3 407.514 3.732 50 0 HHAAHN COCCN(C[C@@H]1CN(Cc2cccn2C)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000245280750 571222546 /nfs/dbraw/zinc/22/25/46/571222546.db2.gz RPICABBINFTRDJ-REWPJTCUSA-N 0 3 415.553 3.511 50 0 HHAAHN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCN(C)C)occ3-c1ccc(F)cc1 ZINC000009183900 571234528 /nfs/dbraw/zinc/23/45/28/571234528.db2.gz HCVGSPANAFKUNL-UHFFFAOYSA-N 0 3 422.456 3.874 50 0 HHAAHN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1cccc2ccccc21 ZINC000010333613 571300618 /nfs/dbraw/zinc/30/06/18/571300618.db2.gz BPGNAWLRYISINN-FQEVSTJZSA-N 0 3 413.880 3.990 50 0 HHAAHN C[C@H]1CCCCN1Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1 ZINC000011782501 962189132 /nfs/dbraw/zinc/18/91/32/962189132.db2.gz MHRNBTIABQHAHA-AWEZNQCLSA-N 0 3 407.436 3.698 50 0 HHAAHN COc1cccc(OC)c1CN1CCC2(CC[C@@H](CNC(=O)c3ccccc3)O2)CC1 ZINC000011971518 962217603 /nfs/dbraw/zinc/21/76/03/962217603.db2.gz VKNORHZRJOYNDE-FQEVSTJZSA-N 0 3 424.541 3.647 50 0 HHAAHN O=C([C@@H]1CC12CCN(Cc1ccc3c(c1)CCO3)CC2)N1CCc2ccccc2C1 ZINC000012122648 962242543 /nfs/dbraw/zinc/24/25/43/962242543.db2.gz XKHUYWXIFANGTN-QHCPKHFHSA-N 0 3 402.538 3.809 50 0 HHAAHN COC(=O)c1cccc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2cccc(OC)c2)C3)c1 ZINC000012433177 962279653 /nfs/dbraw/zinc/27/96/53/962279653.db2.gz OZIHAHGGIWIKPE-VWLOTQADSA-N 0 3 422.525 3.610 50 0 HHAAHN COCCc1nc2ccc(C(=O)NC[C@@H](c3ccccc3)N3CCCCC3)cc2o1 ZINC000012571345 962293340 /nfs/dbraw/zinc/29/33/40/962293340.db2.gz CEKBNQMKVLRQIG-NRFANRHFSA-N 0 3 407.514 3.974 50 0 HHAAHN Cc1c(CN2CCC[C@H](COc3ccccc3C(=O)N3CCC(C)CC3)C2)cnn1C ZINC000169765046 970473050 /nfs/dbraw/zinc/47/30/50/970473050.db2.gz MNVGFHIETGMVCR-NRFANRHFSA-N 0 3 424.589 3.892 50 0 HHAAHN Cc1ccc(Cn2ncc3c2ncnc3N2CCN(CCc3ccccc3)CC2)cc1 ZINC000001473028 132246730 /nfs/dbraw/zinc/24/67/30/132246730.db2.gz VYLFKHSUZROYSZ-UHFFFAOYSA-N 0 3 412.541 3.548 50 0 HHAAHN COc1ccc(CN2CCC(N3CCN(c4ccccc4F)CC3)CC2)c(OC)c1 ZINC000004712136 132285272 /nfs/dbraw/zinc/28/52/72/132285272.db2.gz IWTFDKQZJRIGIC-UHFFFAOYSA-N 0 3 413.537 3.630 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)COc3ccc(Br)cc3)cc2)CC1 ZINC000006517636 132311420 /nfs/dbraw/zinc/31/14/20/132311420.db2.gz WPUYGQGQQMZOMH-UHFFFAOYSA-N 0 3 418.335 3.609 50 0 HHAAHN O=c1oc2ccccc2c(N2CCN(c3ccc(F)cc3)CC2)c1CN1CCCC1 ZINC000007504115 132324883 /nfs/dbraw/zinc/32/48/83/132324883.db2.gz CCCGOZJYRCIMRA-UHFFFAOYSA-N 0 3 407.489 3.855 50 0 HHAAHN CCN1CCN(CCCCNC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000045271033 521679255 /nfs/dbraw/zinc/67/92/55/521679255.db2.gz AEXCLAVAFSFAHT-GOSISDBHSA-N 0 3 411.015 3.594 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)N(C)CCOc3ccccc3C)c(C)c2)CC1 ZINC000043526491 521699072 /nfs/dbraw/zinc/69/90/72/521699072.db2.gz NFIYSVUOVMLWMW-UHFFFAOYSA-N 0 3 410.562 3.988 50 0 HHAAHN CN1CCN(C2CCN(c3cccc(NC(=O)CCCc4ccccc4)c3)CC2)CC1 ZINC000020600737 523892125 /nfs/dbraw/zinc/89/21/25/523892125.db2.gz GYFWNOBNCLUVLA-UHFFFAOYSA-N 0 3 420.601 3.864 50 0 HHAAHN CCN1CCC[C@H]1CNC(=O)c1nc(CCc2ccccc2)n(-c2cccc(C)c2)n1 ZINC000034911798 557476343 /nfs/dbraw/zinc/47/63/43/557476343.db2.gz OWVSJKNKEJFUCX-QFIPXVFZSA-N 0 3 417.557 3.575 50 0 HHAAHN O[C@H](CNCc1ccc2c(c1)OCO2)COc1ccc(SC(F)(F)F)cc1 ZINC000004324482 557541576 /nfs/dbraw/zinc/54/15/76/557541576.db2.gz KCTVRNALCIZAGP-CYBMUJFWSA-N 0 3 401.406 3.557 50 0 HHAAHN CCCCN(C)CCNC(=O)C1CCN(c2nc3ccc(CC)cc3s2)CC1 ZINC000004757406 557594854 /nfs/dbraw/zinc/59/48/54/557594854.db2.gz IUZPHVKJWOBQSG-UHFFFAOYSA-N 0 3 402.608 3.923 50 0 HHAAHN CCOC(=O)c1c2c(sc1NC(=O)CCN1CCC(C)CC1)COC(C)(C)C2 ZINC000004859719 557607552 /nfs/dbraw/zinc/60/75/52/557607552.db2.gz LIOYRQZWKXZFPU-UHFFFAOYSA-N 0 3 408.564 3.837 50 0 HHAAHN COc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4cc(Cl)ccc4C)C3=O)c2c1 ZINC000005274551 557643006 /nfs/dbraw/zinc/64/30/06/557643006.db2.gz ALRLARFVZSBGAT-LJQANCHMSA-N 0 3 411.889 3.603 50 0 HHAAHN O=C(c1cccc(COc2ccc(Br)cc2)c1)N1CCN2CCC[C@@H]2C1 ZINC000006057735 557685570 /nfs/dbraw/zinc/68/55/70/557685570.db2.gz IFIFQGABMMIPOV-LJQANCHMSA-N 0 3 415.331 3.948 50 0 HHAAHN Cc1c(C)n(CC[NH+](C)C)c2ncn3nc(-c4cc5ccccc5cc4[O-])nc3c12 ZINC000006669827 557713350 /nfs/dbraw/zinc/71/33/50/557713350.db2.gz GRIINAVKARQPQM-UHFFFAOYSA-N 0 3 400.486 3.783 50 0 HHAAHN Cn1nnnc1SCCCNCc1ccccc1OCc1ccccc1Cl ZINC000006767740 557720553 /nfs/dbraw/zinc/72/05/53/557720553.db2.gz SFSBCXRYJTZJKA-UHFFFAOYSA-N 0 3 403.939 3.715 50 0 HHAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)C=Cc2c[nH]cn2)CC1 ZINC000011664514 558268199 /nfs/dbraw/zinc/26/81/99/558268199.db2.gz CKJBEQHIDIYXLV-CMDGGOBGSA-N 0 3 410.562 3.828 50 0 HHAAHN CN(CCN1CCOCC1)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000019782137 558281375 /nfs/dbraw/zinc/28/13/75/558281375.db2.gz SYUFCFGBDRGJEV-UHFFFAOYSA-N 0 3 406.530 3.643 50 0 HHAAHN CCc1ccc(NC(=O)CC2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)cc1 ZINC000019817505 558287956 /nfs/dbraw/zinc/28/79/56/558287956.db2.gz UEJOEFNBEWUOIH-RXVVDRJESA-N 0 3 418.497 3.694 50 0 HHAAHN OCC[C@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CCN1CCc1ccccc1 ZINC000019837731 558293195 /nfs/dbraw/zinc/29/31/95/558293195.db2.gz AAIULNQTTHSDBK-QHCPKHFHSA-N 0 3 424.976 3.841 50 0 HHAAHN O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3c[nH]nc3-c3ccccc3)N3CCC[C@@]123 ZINC000011935121 558299208 /nfs/dbraw/zinc/29/92/08/558299208.db2.gz KUVUSWFVYWBBTO-DDZLNHKNSA-N 0 3 424.548 3.982 50 0 HHAAHN CCc1ccc(CN2CCC(Oc3cccc(C(=O)N(C)CCN(C)C)c3)CC2)o1 ZINC000011950299 558302713 /nfs/dbraw/zinc/30/27/13/558302713.db2.gz FEPPBQFZLGJJBI-UHFFFAOYSA-N 0 3 413.562 3.519 50 0 HHAAHN Cc1nn(C)cc1CN1CCC2(C[C@@H]2C(=O)NCC2(c3ccccc3)CCCC2)CC1 ZINC000011982405 558306158 /nfs/dbraw/zinc/30/61/58/558306158.db2.gz WEULZRMPVXCXHO-HSZRJFAPSA-N 0 3 420.601 3.959 50 0 HHAAHN Cc1nc(C(=O)NC[C@@H]2CCC3(CCN(Cc4ccccc4F)CC3)O2)cs1 ZINC000011997285 558307276 /nfs/dbraw/zinc/30/72/76/558307276.db2.gz IQZXBHZNNPIATC-KRWDZBQOSA-N 0 3 403.523 3.534 50 0 HHAAHN O=C1CC[C@@H](CCNCc2ccccc2F)N1C[C@@H](c1cccnc1)N1CCCCC1 ZINC000012056832 558316200 /nfs/dbraw/zinc/31/62/00/558316200.db2.gz CDJVABFBWVRXFK-UPVQGACJSA-N 0 3 424.564 3.919 50 0 HHAAHN CN(C(=O)CC[C@H]1CCCN(Cc2ccccc2OC(F)F)C1)C1CCN(C)CC1 ZINC000012074358 558319263 /nfs/dbraw/zinc/31/92/63/558319263.db2.gz KZXLZAOUTRRLDT-GOSISDBHSA-N 0 3 423.548 3.833 50 0 HHAAHN CN(C(=O)c1cnn(Cc2ccccc2)c1)[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012092977 558324731 /nfs/dbraw/zinc/32/47/31/558324731.db2.gz GEMIQXMTTZAHJO-DEOSSOPVSA-N 0 3 414.553 3.635 50 0 HHAAHN COCCN1C(=O)CC[C@@H]2CN(Cc3cccc(OCc4ccccc4)c3)CC[C@@H]21 ZINC000012135846 558333827 /nfs/dbraw/zinc/33/38/27/558333827.db2.gz FYZKEEQEQZJDRL-VWNXMTODSA-N 0 3 408.542 3.725 50 0 HHAAHN Cc1cc(=O)[n-]c(CC[NH2+]C2CCN(c3ccc(-c4cccc(F)c4)cc3)CC2)n1 ZINC000020255989 558352263 /nfs/dbraw/zinc/35/22/63/558352263.db2.gz QSYXSBCQDNBTFT-UHFFFAOYSA-N 0 3 406.505 3.686 50 0 HHAAHN OCC[C@@H]1CN(C2CCN(c3ccc(Cl)cc3)CC2)CCN1Cc1ccccc1 ZINC000020452614 558366798 /nfs/dbraw/zinc/36/67/98/558366798.db2.gz JSSUDFYYXWDONC-XMMPIXPASA-N 0 3 413.993 3.878 50 0 HHAAHN COc1ccc(-c2nn(-c3ccccc3C)cc2CN[C@H](C)Cn2cncn2)cc1F ZINC000012298250 558368150 /nfs/dbraw/zinc/36/81/50/558368150.db2.gz BXLBMGRPVZWOMK-QGZVFWFLSA-N 0 3 420.492 3.765 50 0 HHAAHN O=C(NC[C@@H]1CCCN(Cc2cccc3nonc32)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000012298880 558369042 /nfs/dbraw/zinc/36/90/42/558369042.db2.gz HHSMNIATYWDCAV-INIZCTEOSA-N 0 3 424.932 3.936 50 0 HHAAHN CCOc1cccc(CN2CCC[C@@H](CNC(=O)c3cccc(OC)c3OC)C2)c1 ZINC000012302442 558372070 /nfs/dbraw/zinc/37/20/70/558372070.db2.gz WXJZEYLYZUGOCA-IBGZPJMESA-N 0 3 412.530 3.745 50 0 HHAAHN CCN1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2c(C)cccc2C)C1=O ZINC000020533531 558384983 /nfs/dbraw/zinc/38/49/83/558384983.db2.gz NLQIWBDDKSQIEE-QZMYASAMSA-N 0 3 403.526 3.905 50 0 HHAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(Cc2csc(C(C)=O)c2)CC1 ZINC000012432947 558407123 /nfs/dbraw/zinc/40/71/23/558407123.db2.gz SDXUSSIYJXKPSX-FQEVSTJZSA-N 0 3 405.608 3.543 50 0 HHAAHN CN(Cc1nc2ccccc2o1)Cc1ccc(OC[C@H](O)CN2CCCCC2)cc1 ZINC000012438723 558410008 /nfs/dbraw/zinc/41/00/08/558410008.db2.gz UAJMOVQIPDFGJU-HXUWFJFHSA-N 0 3 409.530 3.685 50 0 HHAAHN COc1cc(CN2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cc(OC)c1 ZINC000020906226 558421174 /nfs/dbraw/zinc/42/11/74/558421174.db2.gz XOBPOBDLJMITKE-HXUWFJFHSA-N 0 3 413.537 3.630 50 0 HHAAHN CN(C)CCOc1ccccc1C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000072095138 558460052 /nfs/dbraw/zinc/46/00/52/558460052.db2.gz FMYDDBUAOYRBLT-GOSISDBHSA-N 0 3 403.320 3.807 50 0 HHAAHN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000012818009 558476074 /nfs/dbraw/zinc/47/60/74/558476074.db2.gz BJUVPTZYNUAMOV-FGZHOGPDSA-N 0 3 411.521 3.533 50 0 HHAAHN OCC[C@H]1CN(Cc2cnc(-c3ccc(Cl)cc3)nc2)CCN1C1CCCCC1 ZINC000022932878 558525150 /nfs/dbraw/zinc/52/51/50/558525150.db2.gz QLVKWALCCPINQQ-QFIPXVFZSA-N 0 3 414.981 3.998 50 0 HHAAHN O=C(CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccccc1Cl ZINC000023382203 558555742 /nfs/dbraw/zinc/55/57/42/558555742.db2.gz USVCSIJAKIHJPD-KUHUBIRLSA-N 0 3 424.888 3.785 50 0 HHAAHN O=C(CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccccc1Cl ZINC000023382197 558555785 /nfs/dbraw/zinc/55/57/85/558555785.db2.gz USVCSIJAKIHJPD-LIRRHRJNSA-N 0 3 424.888 3.785 50 0 HHAAHN COC[C@@H]1CCN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)C1 ZINC000023399112 558556715 /nfs/dbraw/zinc/55/67/15/558556715.db2.gz XNOAZVIRPOFPFD-JOCHJYFZSA-N 0 3 422.569 3.881 50 0 HHAAHN CCn1cc(C(=O)NCC2(N3CCCCC3)CCCCC2)c(=O)c2ccc(C)nc21 ZINC000014129306 558623699 /nfs/dbraw/zinc/62/36/99/558623699.db2.gz JJEDGURKLPYECU-UHFFFAOYSA-N 0 3 410.562 3.643 50 0 HHAAHN Cc1cccc(N2CCN(CCCCNC(=O)COc3cccc(Cl)c3)CC2)c1 ZINC000026955721 558667437 /nfs/dbraw/zinc/66/74/37/558667437.db2.gz SGMYQEVZWWALKU-UHFFFAOYSA-N 0 3 415.965 3.746 50 0 HHAAHN OCc1ccc(CN(C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)o1 ZINC000014960410 558683827 /nfs/dbraw/zinc/68/38/27/558683827.db2.gz REUJUSLOYQBROL-NRFANRHFSA-N 0 3 416.537 3.804 50 0 HHAAHN O=C(NCCCN1CCC[C@@H](O)C1)c1ccc2oc(CCCc3ccccc3)nc2c1 ZINC000014963083 558684737 /nfs/dbraw/zinc/68/47/37/558684737.db2.gz LYVQFBNDVGHBEM-OAQYLSRUSA-N 0 3 421.541 3.580 50 0 HHAAHN Fc1ccc(-n2cc(CNC[C@@H]3COCCO3)c(-c3ccccc3Cl)n2)cc1 ZINC000014964052 558685213 /nfs/dbraw/zinc/68/52/13/558685213.db2.gz CHWFGWHKMLVJFV-GOSISDBHSA-N 0 3 401.869 3.837 50 0 HHAAHN Cc1ccc(CN2CCC(c3nnc(SCCN4CCCCC4)n3C)CC2)o1 ZINC000014982026 558692255 /nfs/dbraw/zinc/69/22/55/558692255.db2.gz QAQMIFURQZXYPU-UHFFFAOYSA-N 0 3 403.596 3.674 50 0 HHAAHN CC(C)=CCC[C@@H](C)CN1CCc2nnc(CCNC(=O)c3ccc(C)cc3)n2CC1 ZINC000015000426 558697578 /nfs/dbraw/zinc/69/75/78/558697578.db2.gz WWIKWSYPAUSTHD-OAQYLSRUSA-N 0 3 423.605 3.800 50 0 HHAAHN CCN1CCN(C2(CNC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)CCCCC2)CC1 ZINC000028293550 558698574 /nfs/dbraw/zinc/69/85/74/558698574.db2.gz DUUABTSIADMIET-OAQYLSRUSA-N 0 3 401.595 3.527 50 0 HHAAHN CCN1CCN(C2(CNC(=O)[C@H](C)Oc3cccc(C)c3C)CCCCC2)CC1 ZINC000028403200 558699931 /nfs/dbraw/zinc/69/99/31/558699931.db2.gz HYAFUYXIQGJLEC-NRFANRHFSA-N 0 3 401.595 3.527 50 0 HHAAHN CN(C[C@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cnsn1 ZINC000015075190 558715731 /nfs/dbraw/zinc/71/57/31/558715731.db2.gz WHZHYAIEOJYVFB-OAHLLOKOSA-N 0 3 412.481 3.584 50 0 HHAAHN CCN(CC(=O)Nc1nc2c(s1)CCCC2)CC1CCN(c2ccccn2)CC1 ZINC000072305297 558760248 /nfs/dbraw/zinc/76/02/48/558760248.db2.gz LRFKZTAQNUHZJG-UHFFFAOYSA-N 0 3 413.591 3.594 50 0 HHAAHN CCc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000016751535 558804848 /nfs/dbraw/zinc/80/48/48/558804848.db2.gz MNMKPBHGPOWQBN-OAQYLSRUSA-N 0 3 408.473 3.991 50 0 HHAAHN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CN[C@@H](C)Cc1cccnc1 ZINC000019228071 558852948 /nfs/dbraw/zinc/85/29/48/558852948.db2.gz VDPPSEUBFVOPON-IBGZPJMESA-N 0 3 405.546 3.775 50 0 HHAAHN O=C(C1CCN(c2ccncc2)CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000033128963 558882659 /nfs/dbraw/zinc/88/26/59/558882659.db2.gz DPNNVUYGXXSUKB-UHFFFAOYSA-N 0 3 418.463 3.666 50 0 HHAAHN CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000058328445 558920043 /nfs/dbraw/zinc/92/00/43/558920043.db2.gz DQYGSPIRJKYRBD-LJQANCHMSA-N 0 3 412.509 3.577 50 0 HHAAHN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)Nc2cccc(CN(CC)CC)c2)C1 ZINC000060377072 558942452 /nfs/dbraw/zinc/94/24/52/558942452.db2.gz DPZNUWRBZMNAQE-QFIPXVFZSA-N 0 3 422.529 3.665 50 0 HHAAHN Cc1ccc(CN2CCC(CNC(=O)CN3CCSc4ccccc43)CC2)cc1 ZINC000033059135 558943371 /nfs/dbraw/zinc/94/33/71/558943371.db2.gz UEYFFMUZPRUQRX-UHFFFAOYSA-N 0 3 409.599 3.936 50 0 HHAAHN Cc1nc(CN(C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)c[nH]1 ZINC000067920716 558994707 /nfs/dbraw/zinc/99/47/07/558994707.db2.gz BTUATNRNENWUIG-QFIPXVFZSA-N 0 3 400.542 3.750 50 0 HHAAHN NCC(=O)N1CCOc2c(O)cc(-c3cccc4c3Oc3ccccc3S4)cc2C1 ZINC000067955257 558995079 /nfs/dbraw/zinc/99/50/79/558995079.db2.gz SISPWSUEMKNOKR-UHFFFAOYSA-N 0 3 420.490 3.996 50 0 HHAAHN Cc1c2cc(Cl)cc(CNC(=O)[C@@H](N)Cc3c[nH]cn3)c2[nH]c1-c1ccccc1 ZINC000077355944 559002344 /nfs/dbraw/zinc/00/23/44/559002344.db2.gz UMWQEDMFEWEYMT-IBGZPJMESA-N 0 3 407.905 3.706 50 0 HHAAHN Cc1c2cc(Cl)cc(CNC(=O)[C@@H](N)Cc3cnc[nH]3)c2[nH]c1-c1ccccc1 ZINC000077355944 559002346 /nfs/dbraw/zinc/00/23/46/559002346.db2.gz UMWQEDMFEWEYMT-IBGZPJMESA-N 0 3 407.905 3.706 50 0 HHAAHN CCCOc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cc1 ZINC000023127733 559016054 /nfs/dbraw/zinc/01/60/54/559016054.db2.gz OJOVPYNSOYOWIE-UHFFFAOYSA-N 0 3 408.589 3.727 50 0 HHAAHN COc1ccc([C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095512901 559084402 /nfs/dbraw/zinc/08/44/02/559084402.db2.gz XAKRDTHSXXCBTB-TUACAJSNSA-N 0 3 401.510 3.879 50 0 HHAAHN COc1ccc(-c2cnc3ncnn3c2N2CCN([C@H](C)c3ccccc3)CC2)cc1 ZINC000023452188 559175515 /nfs/dbraw/zinc/17/55/15/559175515.db2.gz DSSTWFLJWOPGKQ-GOSISDBHSA-N 0 3 414.513 3.683 50 0 HHAAHN COc1ccc(Nc2cc(C(=O)NCCN3CCCC3)c3ccccc3n2)c(OC)c1 ZINC000004910132 559201107 /nfs/dbraw/zinc/20/11/07/559201107.db2.gz YTCGPCPOFHRZSQ-UHFFFAOYSA-N 0 3 420.513 3.821 50 0 HHAAHN CCN1CCC[C@H]1CN/C=C1/c2ccccc2C(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000101189274 560789054 /nfs/dbraw/zinc/78/90/54/560789054.db2.gz FTUCIZNIMGFHOE-QSSXUJFUSA-N 0 3 403.526 3.905 50 0 HHAAHN O=c1occ(CN2CCc3ccccc3C2)c([O-])c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000101373437 560792869 /nfs/dbraw/zinc/79/28/69/560792869.db2.gz SLAJUOZUPUEYNH-QFIPXVFZSA-N 0 3 416.521 3.893 50 0 HHAAHN O=c1occ(CN2CCc3ccccc3C2)c([O-])c1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000101373437 560792871 /nfs/dbraw/zinc/79/28/71/560792871.db2.gz SLAJUOZUPUEYNH-QFIPXVFZSA-N 0 3 416.521 3.893 50 0 HHAAHN O=c1c(CN2CCc3ccccc3C2)coc([O-])c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000101373437 560792873 /nfs/dbraw/zinc/79/28/73/560792873.db2.gz SLAJUOZUPUEYNH-QFIPXVFZSA-N 0 3 416.521 3.893 50 0 HHAAHN O=c1c(CN2CCc3ccccc3C2)coc([O-])c1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000101373437 560792874 /nfs/dbraw/zinc/79/28/74/560792874.db2.gz SLAJUOZUPUEYNH-QFIPXVFZSA-N 0 3 416.521 3.893 50 0 HHAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4F)[C@@H]3C2=O)c1 ZINC000102764833 560825076 /nfs/dbraw/zinc/82/50/76/560825076.db2.gz VVZSTPFSPDKUIM-FDFHNCONSA-N 0 3 418.424 3.885 50 0 HHAAHN Cc1ccc(-n2c(O)c3onc(-c4ccccc4Cl)c3c2O)c(Br)c1 ZINC000102935736 560835753 /nfs/dbraw/zinc/83/57/53/560835753.db2.gz BRNQLZKRFOUKMS-HOCLYGCPSA-N 0 3 419.662 3.703 50 0 HHAAHN O=C(C[C@@H]1Sc2ccccc2NC1=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000106155122 560884994 /nfs/dbraw/zinc/88/49/94/560884994.db2.gz WBIAMUNDHGLPRS-NQIIRXRSSA-N 0 3 409.555 3.660 50 0 HHAAHN O=C(CCc1nnc(CCCc2ccccc2)o1)N1CCN(C2CCCCC2)CC1 ZINC000014956562 568474738 /nfs/dbraw/zinc/47/47/38/568474738.db2.gz AJKSIQCZGURCIK-UHFFFAOYSA-N 0 3 410.562 3.654 50 0 HHAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000007980108 568487802 /nfs/dbraw/zinc/48/78/02/568487802.db2.gz CRZVPCRSJHQBGR-QHCPKHFHSA-N 0 3 420.557 3.884 50 0 HHAAHN CCOc1cc2c(cc1CNC[C@H](c1cccs1)N1CCN(C)CC1)O[C@H](C)C2 ZINC000022804348 568499895 /nfs/dbraw/zinc/49/98/95/568499895.db2.gz JNEXNZCUVPEBRT-YLJYHZDGSA-N 0 3 415.603 3.549 50 0 HHAAHN O=C(CN1CCCN(Cc2ccccc2)CC1)Nc1ccc(Br)cc1F ZINC000022932164 568500755 /nfs/dbraw/zinc/50/07/55/568500755.db2.gz HKBQTYUKZLKYIY-UHFFFAOYSA-N 0 3 420.326 3.735 50 0 HHAAHN O=C(NCCN1CCCC1)c1cc(-c2ccccc2)n(-c2nc3ccccc3s2)n1 ZINC000033435891 568514659 /nfs/dbraw/zinc/51/46/59/568514659.db2.gz MHLQWWCQWMGUQY-UHFFFAOYSA-N 0 3 417.538 3.975 50 0 HHAAHN CCOc1cc(CN2CC[C@H](C(N)=O)C2)ccc1OCc1c(F)cccc1Cl ZINC000095453833 568615955 /nfs/dbraw/zinc/61/59/55/568615955.db2.gz DIKZDIZLNIONAE-HNNXBMFYSA-N 0 3 406.885 3.764 50 0 HHAAHN Cc1ccc2c(c1)-c1onc(C(=O)NC3CCN(Cc4ccccc4)CC3)c1CO2 ZINC000020509924 568620672 /nfs/dbraw/zinc/62/06/72/568620672.db2.gz YOOMHGDRVQYWDB-UHFFFAOYSA-N 0 3 403.482 3.937 50 0 HHAAHN COCCn1c(C)cc(O)c([C@H](c2ccc(SC)cc2)N2CCCCC2)c1=O ZINC000021097946 568665467 /nfs/dbraw/zinc/66/54/67/568665467.db2.gz OPJJFSVMRABEEA-NRFANRHFSA-N 0 3 402.560 3.806 50 0 HHAAHN CCOC(=O)c1c(NC(=O)CN(CC)CC)sc(CN(C)C)c1-c1ccccc1 ZINC000000846843 568710581 /nfs/dbraw/zinc/71/05/81/568710581.db2.gz RDHMFNVOGMZAQC-UHFFFAOYSA-N 0 3 417.575 3.934 50 0 HHAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccncc3)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000229809328 568715534 /nfs/dbraw/zinc/71/55/34/568715534.db2.gz DVBZCJRJEDPHLH-XUVXKRRUSA-N 0 3 405.841 3.786 50 0 HHAAHN Cc1ccc(CNc2nc(N3CCN(C4CCCCC4)CC3)nc3c2cnn3C)cc1 ZINC000021929521 568761524 /nfs/dbraw/zinc/76/15/24/568761524.db2.gz UYXBULMUHYWNDX-UHFFFAOYSA-N 0 3 419.577 3.739 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)N(C)CCOc3ccc(F)cc3)cc2C)CC1 ZINC000057863893 568864419 /nfs/dbraw/zinc/86/44/19/568864419.db2.gz RUXWLGAIPMILKF-UHFFFAOYSA-N 0 3 414.525 3.819 50 0 HHAAHN COc1cc2nc(N(C)C)c(CNCCc3ccc(F)cc3)cc2c(OC)c1OC ZINC000299794871 568876257 /nfs/dbraw/zinc/87/62/57/568876257.db2.gz KNFNGXJHQOTLBQ-UHFFFAOYSA-N 0 3 413.493 3.798 50 0 HHAAHN CN(C)[C@H](CNC(=O)COc1ccc(C(=O)c2ccccc2)cc1)Cc1ccccc1 ZINC000008345580 568994506 /nfs/dbraw/zinc/99/45/06/568994506.db2.gz PYZKAGMSNKGBEL-QHCPKHFHSA-N 0 3 416.521 3.586 50 0 HHAAHN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN(C)C1CCC(C)CC1 ZINC000008390607 568996812 /nfs/dbraw/zinc/99/68/12/568996812.db2.gz ALAMIPGORWQNQE-UHFFFAOYSA-N 0 3 406.596 3.707 50 0 HHAAHN COc1ccc(CN2CCN(Cc3c[nH]c4ccccc34)C[C@H]2CCO)c(C)c1C ZINC000104360026 569008367 /nfs/dbraw/zinc/00/83/67/569008367.db2.gz CAHYPYMKZRFOOI-JOCHJYFZSA-N 0 3 407.558 3.862 50 0 HHAAHN CC(C)N1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H]1CCO ZINC000104416387 569008611 /nfs/dbraw/zinc/00/86/11/569008611.db2.gz ROBMEYMLOXIAHC-XMMPIXPASA-N 0 3 404.558 3.816 50 0 HHAAHN COc1ccc(CN2CCN(Cc3cccc4cccnc43)C[C@H]2CCO)c(C)c1C ZINC000104415315 569008744 /nfs/dbraw/zinc/00/87/44/569008744.db2.gz FTVWJTNMODSIFY-XMMPIXPASA-N 0 3 419.569 3.929 50 0 HHAAHN COc1ccc(CN2CCN(Cc3cccc4cnccc43)C[C@H]2CCO)c(C)c1C ZINC000107100456 569009219 /nfs/dbraw/zinc/00/92/19/569009219.db2.gz WNDPZLUVNYFMAG-XMMPIXPASA-N 0 3 419.569 3.929 50 0 HHAAHN CN1CCN(CCCNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000229577115 569040646 /nfs/dbraw/zinc/04/06/46/569040646.db2.gz KWNJDAAJXUHYPI-HSALFYBXSA-N 0 3 411.512 3.850 50 0 HHAAHN Cc1ccc2nc(-c3ccc(NC(=O)CN4CCN5CCC[C@H]5C4)cc3)sc2c1 ZINC000239174418 569054022 /nfs/dbraw/zinc/05/40/22/569054022.db2.gz PZSUYMXJTDFDJP-IBGZPJMESA-N 0 3 406.555 3.990 50 0 HHAAHN CS[C@@H]1CN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)C[C@H]1N(C)C ZINC000240871422 569054603 /nfs/dbraw/zinc/05/46/03/569054603.db2.gz IKLPCNRHVPHPLB-NVXWUHKLSA-N 0 3 411.600 3.724 50 0 HHAAHN COc1ccc([C@@H](CNC(=O)Cc2ccc(Br)cc2)N2CCCC2)cc1 ZINC000006638909 569077038 /nfs/dbraw/zinc/07/70/38/569077038.db2.gz YWBQUKPVVTZEGK-HXUWFJFHSA-N 0 3 417.347 3.954 50 0 HHAAHN COc1ccc([C@H](CNC(=O)Cc2ccc(Br)cc2)N2CCCC2)cc1 ZINC000006638915 569077143 /nfs/dbraw/zinc/07/71/43/569077143.db2.gz YWBQUKPVVTZEGK-FQEVSTJZSA-N 0 3 417.347 3.954 50 0 HHAAHN COc1ccc(CN(C[C@H](O)COc2ccc(Cl)cc2)C[C@@H]2CCCO2)cc1 ZINC000036095286 569089902 /nfs/dbraw/zinc/08/99/02/569089902.db2.gz PAWORNMZZRBLRK-UGKGYDQZSA-N 0 3 405.922 3.770 50 0 HHAAHN COc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(-n2cccc2)cc1OC ZINC000036358272 569149535 /nfs/dbraw/zinc/14/95/35/569149535.db2.gz VREHTUOGNGBJFT-UHFFFAOYSA-N 0 3 419.525 3.889 50 0 HHAAHN C[C@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)NCCN1CCC(C)CC1 ZINC000065031760 569157560 /nfs/dbraw/zinc/15/75/60/569157560.db2.gz IKBWCODKSATGDS-IBGZPJMESA-N 0 3 418.541 3.912 50 0 HHAAHN C[C@@H]1CCCCN1CCNC(=O)CC[C@@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 ZINC000065136769 569183501 /nfs/dbraw/zinc/18/35/01/569183501.db2.gz INFIXQIOBXSUDV-MOPGFXCFSA-N 0 3 418.557 3.840 50 0 HHAAHN CCCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)N(C)C)cc1OCC ZINC000006937980 569185355 /nfs/dbraw/zinc/18/53/55/569185355.db2.gz JITMFJFTWHYNRO-HXUWFJFHSA-N 0 3 400.519 3.915 50 0 HHAAHN CCCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)N(C)C)cc1OCC ZINC000006937977 569185388 /nfs/dbraw/zinc/18/53/88/569185388.db2.gz JITMFJFTWHYNRO-FQEVSTJZSA-N 0 3 400.519 3.915 50 0 HHAAHN O=C(NCCN1CCCCC1)c1ccc(-c2ccc(N3CCSCC3)nc2)cc1 ZINC000065178369 569191820 /nfs/dbraw/zinc/19/18/20/569191820.db2.gz HEWQDOPHRDTTQG-UHFFFAOYSA-N 0 3 410.587 3.518 50 0 HHAAHN CCc1ccc(CNC(=O)c2ccnc(N3CCN[C@H](c4ccccc4)C3)c2)cc1 ZINC000065256386 569208362 /nfs/dbraw/zinc/20/83/62/569208362.db2.gz BWMLITWOZYROBX-QHCPKHFHSA-N 0 3 400.526 3.725 50 0 HHAAHN COc1ccc(OC)c(NC(=O)c2ccnc(N3CCN[C@H](c4ccccc4)C3)c2)c1 ZINC000065256374 569208427 /nfs/dbraw/zinc/20/84/27/569208427.db2.gz RNHHRHSRPRHXDA-NRFANRHFSA-N 0 3 418.497 3.502 50 0 HHAAHN O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000065512513 569233236 /nfs/dbraw/zinc/23/32/36/569233236.db2.gz LRKYTJGKSXCYDT-VQTJNVASSA-N 0 3 413.512 3.820 50 0 HHAAHN CC(C)S(=O)(=O)C(C)C(=O)NC1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000089890951 569267849 /nfs/dbraw/zinc/26/78/49/569267849.db2.gz MHVOLHMDYSKSBE-HNNXBMFYSA-N 0 3 411.568 3.605 50 0 HHAAHN O=C1Nc2cc(Br)ccc2[C@@H]1CN(Cc1ccco1)C[C@H]1CCCO1 ZINC000252513447 569292174 /nfs/dbraw/zinc/29/21/74/569292174.db2.gz ZZWMEUORAUBYTE-WBVHZDCISA-N 0 3 405.292 3.759 50 0 HHAAHN CC(=O)CCc1ccc(OCC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1 ZINC000170654879 569295419 /nfs/dbraw/zinc/29/54/19/569295419.db2.gz WJBOWKAXLZCAJA-AUSIDOKSSA-N 0 3 408.542 3.756 50 0 HHAAHN O=C(COc1ccc(Br)cc1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000007687172 569300800 /nfs/dbraw/zinc/30/08/00/569300800.db2.gz VZESHICASCYQEU-INIZCTEOSA-N 0 3 409.349 3.843 50 0 HHAAHN COCC(=O)N(c1ccc(OC)c(OC)c1)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000037559637 569306783 /nfs/dbraw/zinc/30/67/83/569306783.db2.gz HKGBXHOBKUMZQO-UHFFFAOYSA-N 0 3 412.530 3.656 50 0 HHAAHN CCCCn1nc(C)c(CNCc2ccc(OCCN(C)C)c(OC)c2)c1Cl ZINC000065980331 569307391 /nfs/dbraw/zinc/30/73/91/569307391.db2.gz MJRQHTBORIQFAC-UHFFFAOYSA-N 0 3 408.974 3.884 50 0 HHAAHN CCOC(=O)c1ccc(Cn2c3ccccc3n(CCN3CCCCC3)c2=N)cc1 ZINC000253470508 569380918 /nfs/dbraw/zinc/38/09/18/569380918.db2.gz AHRUXHLRTWIMHN-UHFFFAOYSA-N 0 3 406.530 3.633 50 0 HHAAHN COc1cccc(CNC(=O)NCc2c3c(sc2-n2cccc2)CN(C)CC3)c1 ZINC000008912266 571148402 /nfs/dbraw/zinc/14/84/02/571148402.db2.gz NWUDMMCMPRDTPT-UHFFFAOYSA-N 0 3 410.543 3.535 50 0 HHAAHN CCN(CC)[C@H](CNC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccsc1 ZINC000040089478 571159389 /nfs/dbraw/zinc/15/93/89/571159389.db2.gz RVZMWBGVXPQMEH-MBOZVWFJSA-N 0 3 416.591 3.570 50 0 HHAAHN CCN1C[C@H](CN(C)C(=O)C2CCN(Cc3ccccc3)CC2)Oc2ccccc21 ZINC000040150361 571198783 /nfs/dbraw/zinc/19/87/83/571198783.db2.gz KAXPYYWCGNHXRO-QFIPXVFZSA-N 0 3 407.558 3.645 50 0 HHAAHN CC[C@H](C)NC(=O)c1nnn(-c2cccc3c2CCN(Cc2ccccc2)C3)c1C ZINC000069848260 571247027 /nfs/dbraw/zinc/24/70/27/571247027.db2.gz KEIISDYZZYOWGU-KRWDZBQOSA-N 0 3 403.530 3.662 50 0 HHAAHN CC(=O)Nc1nc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2s1 ZINC000012390534 571304642 /nfs/dbraw/zinc/30/46/42/571304642.db2.gz QWMPSCQWHZLMBQ-UHFFFAOYSA-N 0 3 408.527 3.649 50 0 HHAAHN O=C(NCCN1CCC[C@@H](c2ccccc2)C1)c1cn(CCCc2ccccc2)nn1 ZINC000011813123 962198170 /nfs/dbraw/zinc/19/81/70/962198170.db2.gz NHLLJAFMIVHTPO-HSZRJFAPSA-N 0 3 417.557 3.520 50 0 HHAAHN Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCCN3CCCn3cccn3)cc2)n1 ZINC000011838298 962200953 /nfs/dbraw/zinc/20/09/53/962200953.db2.gz OMJHYCVNKAQONC-JOCHJYFZSA-N 0 3 406.534 3.569 50 0 HHAAHN O=C(Nc1cccc(N2CCNC2=O)c1)[C@H]1CC12CCN(Cc1ccsc1)CC2 ZINC000011841271 962201224 /nfs/dbraw/zinc/20/12/24/962201224.db2.gz FLJUGRMWZQIZJI-LJQANCHMSA-N 0 3 410.543 3.519 50 0 HHAAHN O=C(Cc1ccccc1)Nc1ccnn1C1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000011999609 962221317 /nfs/dbraw/zinc/22/13/17/962221317.db2.gz NKJYUCKWVAIBPL-UHFFFAOYSA-N 0 3 416.525 3.836 50 0 HHAAHN CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2 ZINC000012123446 962243741 /nfs/dbraw/zinc/24/37/41/962243741.db2.gz HPJJZRLNQVABJH-IBGZPJMESA-N 0 3 411.575 3.774 50 0 HHAAHN CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(Cc2cccc(OCCO)c2)C1 ZINC000012314583 962268324 /nfs/dbraw/zinc/26/83/24/962268324.db2.gz WXMFNKAHJCCSQN-DEOSSOPVSA-N 0 3 415.505 3.585 50 0 HHAAHN COCc1ccc(CN2CCC(CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)o1 ZINC000012430636 962278479 /nfs/dbraw/zinc/27/84/79/962278479.db2.gz SGONGRMZXNNBAB-UHFFFAOYSA-N 0 3 414.502 3.828 50 0 HHAAHN O=C(c1ccc(Cl)cc1)N1CCOc2ccc(CN3CCCC[C@H]3CO)cc2C1 ZINC000014970800 962614709 /nfs/dbraw/zinc/61/47/09/962614709.db2.gz RHLAEWOQNVYLFH-NRFANRHFSA-N 0 3 414.933 3.722 50 0 HHAAHN Cn1cnnc1Sc1ccc(CN2CCC[C@@H](N3CCc4ccccc4C3)C2)o1 ZINC000020997755 963410633 /nfs/dbraw/zinc/41/06/33/963410633.db2.gz FXAFTAUZIMJIPL-LJQANCHMSA-N 0 3 409.559 3.582 50 0 HHAAHN O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NC[C@H](c1cccs1)N1CCCC1 ZINC000022312748 963632115 /nfs/dbraw/zinc/63/21/15/963632115.db2.gz QMESPOBNCNYCAP-RGFVMQALSA-N 0 3 409.555 3.841 50 0 HHAAHN CCN(CCNC(=O)[C@]12CCC=C1N(C1CCCC1)C(=O)CC2)Cc1ccccc1 ZINC000169788445 970483107 /nfs/dbraw/zinc/48/31/07/970483107.db2.gz AEWQJEBDDJWDGF-VWLOTQADSA-N 0 3 409.574 3.854 50 0 HHAAHN O=c1oc2ccccc2c(N2CCN(c3ccccc3F)CC2)c1CN1CCCC1 ZINC000007504108 132324827 /nfs/dbraw/zinc/32/48/27/132324827.db2.gz INPFTWOXVGYHEI-UHFFFAOYSA-N 0 3 407.489 3.855 50 0 HHAAHN Cc1nn(C)cc1CNC1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1 ZINC000012509561 132361127 /nfs/dbraw/zinc/36/11/27/132361127.db2.gz ZEYKYTPNBSUXAS-UHFFFAOYSA-N 0 3 421.520 3.879 50 0 HHAAHN CC(C)N1C[C@H](NCc2ccccc2Cl)C[C@H]1C(=O)NCCc1ccccc1F ZINC000032541121 519697987 /nfs/dbraw/zinc/69/79/87/519697987.db2.gz BUXWZGMQFDVHAB-KNQAVFIVSA-N 0 3 417.956 3.779 50 0 HHAAHN CC[C@@H](CN(C)Cc1ccccc1)NC(=O)Cc1ccc2nc(NC(C)=O)sc2c1 ZINC000032959606 522528735 /nfs/dbraw/zinc/52/87/35/522528735.db2.gz ATYAXPDPKWMATM-IBGZPJMESA-N 0 3 424.570 3.824 50 0 HHAAHN CC[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856970 522669750 /nfs/dbraw/zinc/66/97/50/522669750.db2.gz WCCOUMUDNAYZBC-JOCHJYFZSA-N 0 3 414.571 3.570 50 0 HHAAHN Cc1cc(C)n(-c2ccccc2NC(=O)NC[C@@H](CN(C)C)[C@@H](O)c2ccccc2)n1 ZINC000040104874 524494835 /nfs/dbraw/zinc/49/48/35/524494835.db2.gz XLOLJMYOTNIWER-REWPJTCUSA-N 0 3 421.545 3.522 50 0 HHAAHN Cc1ccccc1N1CCN([C@@H]2CCCN(Cc3cccc(-n4cccn4)c3)C2)CC1 ZINC000020599075 525224001 /nfs/dbraw/zinc/22/40/01/525224001.db2.gz DRDDOIXICGKSIT-RUZDIDTESA-N 0 3 415.585 3.967 50 0 HHAAHN COCCN(C[C@H]1CN(Cc2cccn2C)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740525 557444155 /nfs/dbraw/zinc/44/41/55/557444155.db2.gz RPICABBINFTRDJ-NFBKMPQASA-N 0 3 415.553 3.511 50 0 HHAAHN CCOc1cc(CNCCSc2nnnn2-c2ccccc2)cc(Cl)c1OC ZINC000006767726 557720515 /nfs/dbraw/zinc/72/05/15/557720515.db2.gz NOOPJUUNVCNBNX-UHFFFAOYSA-N 0 3 419.938 3.605 50 0 HHAAHN OCC[C@@H]1CN(Cc2cnc(-c3ccc(Cl)cc3)nc2)CCN1C1CCCCC1 ZINC000019836923 558293011 /nfs/dbraw/zinc/29/30/11/558293011.db2.gz QLVKWALCCPINQQ-JOCHJYFZSA-N 0 3 414.981 3.998 50 0 HHAAHN C[C@@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000011910977 558296890 /nfs/dbraw/zinc/29/68/90/558296890.db2.gz YHOONRXVGGIWAB-GOSISDBHSA-N 0 3 415.541 3.591 50 0 HHAAHN Cc1nn(C)c(C)c1CCC(=O)N1CC[C@@]2(C1)CCCN(Cc1cccc(C)c1)C2 ZINC000011948165 558302441 /nfs/dbraw/zinc/30/24/41/558302441.db2.gz IKLPMBQMSIWNOA-VWLOTQADSA-N 0 3 408.590 3.793 50 0 HHAAHN C[C@@H](Cc1ccc(F)cc1)N1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000011997360 558307198 /nfs/dbraw/zinc/30/71/98/558307198.db2.gz PZOHRHDNLPUCSI-HNNXBMFYSA-N 0 3 418.896 3.873 50 0 HHAAHN COc1cc(/C=C/[C@@H]2C[C@H]3CN(Cc4ccccc4C)C(=O)[C@]34CCCN24)ccc1O ZINC000012056128 558315941 /nfs/dbraw/zinc/31/59/41/558315941.db2.gz MPLJXJCXOQOECT-XLOVMUMPSA-N 0 3 418.537 3.988 50 0 HHAAHN COc1cc(CN2CCN(Cc3cccc4ccccc43)C[C@@H]2CCO)cc(OC)c1 ZINC000020210024 558347528 /nfs/dbraw/zinc/34/75/28/558347528.db2.gz ZBLTUBSRCCPCIJ-QHCPKHFHSA-N 0 3 420.553 3.926 50 0 HHAAHN OCc1ccc(CN2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)o1 ZINC000020386103 558358720 /nfs/dbraw/zinc/35/87/20/558358720.db2.gz VKYYEWBBFFOSJA-IBGZPJMESA-N 0 3 423.479 3.577 50 0 HHAAHN O=C(CCc1n[nH]c2c1CCCC2)N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000012317241 558380408 /nfs/dbraw/zinc/38/04/08/558380408.db2.gz GCLQEYLVXUWEGL-GOSISDBHSA-N 0 3 400.954 3.655 50 0 HHAAHN Cc1ccc(C)c(CN2CCC(=O)N(Cc3cc4c(cc3Cl)OCO4)CC2)c1 ZINC000012328304 558383487 /nfs/dbraw/zinc/38/34/87/558383487.db2.gz RDSCNJWSZAUWLI-UHFFFAOYSA-N 0 3 400.906 3.920 50 0 HHAAHN CCOC(=O)c1[nH]c(C)c(C(=O)N[C@@H]2CCCN(CCCc3ccccc3)C2)c1C ZINC000012458194 558418283 /nfs/dbraw/zinc/41/82/83/558418283.db2.gz QFCKPRYZSNQQJG-HXUWFJFHSA-N 0 3 411.546 3.635 50 0 HHAAHN Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN[C@H]1CCCCNC1=O ZINC000012595170 558437452 /nfs/dbraw/zinc/43/74/52/558437452.db2.gz AWLCEOOMJRSTJL-FQEVSTJZSA-N 0 3 410.468 3.884 50 0 HHAAHN CCOC[C@H](O)CNCc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl ZINC000012712448 558453313 /nfs/dbraw/zinc/45/33/13/558453313.db2.gz NCEGWFVOFNLAKW-GOSISDBHSA-N 0 3 403.885 3.819 50 0 HHAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)[C@@H]1COc2ccccc2C1 ZINC000012713396 558453825 /nfs/dbraw/zinc/45/38/25/558453825.db2.gz JEFXCBJXTXZNQS-QFIPXVFZSA-N 0 3 410.533 3.790 50 0 HHAAHN COc1ccccc1CCN1CCC(CN(C)C(=O)CCc2c(C)noc2C)CC1 ZINC000012762880 558461425 /nfs/dbraw/zinc/46/14/25/558461425.db2.gz CBZRUVJOLVJHCV-UHFFFAOYSA-N 0 3 413.562 3.646 50 0 HHAAHN COc1cc([C@@H](C)O)ccc1COc1ccc(CNC[C@@H]2CCCO2)cc1OC ZINC000012910065 558484419 /nfs/dbraw/zinc/48/44/19/558484419.db2.gz QOQJZCQGABFMGG-UZLBHIALSA-N 0 3 401.503 3.605 50 0 HHAAHN COc1cccc(CN2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)c1OC ZINC000023361235 558552635 /nfs/dbraw/zinc/55/26/35/558552635.db2.gz YGTIVCXUPNNMTL-HXUWFJFHSA-N 0 3 413.537 3.630 50 0 HHAAHN COCCCN1C(=O)C(CC(=O)Nc2ccc(Cl)cc2)n2c3ccccc3nc21 ZINC000023382054 558555416 /nfs/dbraw/zinc/55/54/16/558555416.db2.gz WVIUXICHCDSTJF-SFHVURJKSA-N 0 3 412.877 3.643 50 0 HHAAHN Cc1cccc(NC(=O)CC2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)c1 ZINC000023382462 558555926 /nfs/dbraw/zinc/55/59/26/558555926.db2.gz ABOGJVFDODSKTL-NRFANRHFSA-N 0 3 411.465 3.856 50 0 HHAAHN Cc1cccc(NC(=O)CC2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)c1 ZINC000023382457 558556074 /nfs/dbraw/zinc/55/60/74/558556074.db2.gz ABOGJVFDODSKTL-OAQYLSRUSA-N 0 3 411.465 3.856 50 0 HHAAHN O=C(CC1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccc(F)cc1 ZINC000023411283 558557772 /nfs/dbraw/zinc/55/77/72/558557772.db2.gz GZHZHBRZTWHZJA-HXUWFJFHSA-N 0 3 415.428 3.687 50 0 HHAAHN CN(C(=O)CCN1Cc2ccccc2C1=O)[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000023505555 558560138 /nfs/dbraw/zinc/56/01/38/558560138.db2.gz XOBGPSQLSVWLLV-QHCPKHFHSA-N 0 3 419.569 3.588 50 0 HHAAHN O=C(CCn1c(=O)oc2cc(Cl)ccc21)NC[C@H](c1cccs1)N1CCCC1 ZINC000024991428 558626132 /nfs/dbraw/zinc/62/61/32/558626132.db2.gz XZTBDNAZWQVUGL-MRXNPFEDSA-N 0 3 419.934 3.653 50 0 HHAAHN C[C@@H](N[C@H](C)c1ccc2c(c1)CCCC2)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000014196730 558633601 /nfs/dbraw/zinc/63/36/01/558633601.db2.gz UQBAAAKAGLBXOU-ZIAGYGMSSA-N 0 3 411.571 3.892 50 0 HHAAHN Cn1cc(CN2CCC3(CC2)C(=O)N(Cc2ccccc2)C(=O)N3C)c2ccccc21 ZINC000014531706 558656436 /nfs/dbraw/zinc/65/64/36/558656436.db2.gz DYKNHZMIGGEFLY-UHFFFAOYSA-N 0 3 416.525 3.607 50 0 HHAAHN CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H](NCc1cc(F)cc(F)c1)CC2 ZINC000014535119 558657844 /nfs/dbraw/zinc/65/78/44/558657844.db2.gz GZCQYSWHRVNZCZ-HXUWFJFHSA-N 0 3 424.495 3.559 50 0 HHAAHN CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](N1CC=C(c3ccccc3)CC1)C2 ZINC000014536163 558658234 /nfs/dbraw/zinc/65/82/34/558658234.db2.gz DVMZLFMHBYPJKW-OAQYLSRUSA-N 0 3 404.558 3.786 50 0 HHAAHN COc1ccc(C(=O)Nc2cccc(CNC[C@H]3COc4ccccc4O3)c2)cc1 ZINC000026305064 558658821 /nfs/dbraw/zinc/65/88/21/558658821.db2.gz JOLIELSHBZMONY-NRFANRHFSA-N 0 3 404.466 3.877 50 0 HHAAHN CSc1ccc(CN2CCC3(CC2)C(=O)N(C)C(=O)N3Cc2ccccc2)cc1 ZINC000014538179 558659016 /nfs/dbraw/zinc/65/90/16/558659016.db2.gz WWIIKWQQNVPFOD-UHFFFAOYSA-N 0 3 409.555 3.837 50 0 HHAAHN COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(C/C=C/c3ccccc3OC)C2)c1 ZINC000014953532 558681750 /nfs/dbraw/zinc/68/17/50/558681750.db2.gz YRHMMHDZALZIJI-QPGLYAHGSA-N 0 3 424.541 3.868 50 0 HHAAHN Cc1ccc(NC(=O)CC[C@H]2CN(Cc3ccccc3)CC[C@H]2N2CCOCC2)cc1 ZINC000014957658 558682988 /nfs/dbraw/zinc/68/29/88/558682988.db2.gz IMOXVMLTASIDCI-UKILVPOCSA-N 0 3 421.585 3.937 50 0 HHAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)c2ccccc2C(C)=O)C1 ZINC000014972322 558687818 /nfs/dbraw/zinc/68/78/18/558687818.db2.gz DHCIPRKTRHLGMD-HXUWFJFHSA-N 0 3 408.542 3.925 50 0 HHAAHN CN(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCc1ccc2c(c1)OCO2 ZINC000014986569 558692913 /nfs/dbraw/zinc/69/29/13/558692913.db2.gz AJUJDTGEWUCGCW-UHFFFAOYSA-N 0 3 418.493 3.839 50 0 HHAAHN COc1ccc([C@H](CC(=O)N2CCN(c3ccncc3)CC2)c2ccccc2)cc1 ZINC000015065652 558708594 /nfs/dbraw/zinc/70/85/94/558708594.db2.gz JEXNCZWKAMATON-XMMPIXPASA-N 0 3 401.510 3.961 50 0 HHAAHN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NC1CCN(C2CC2)CC1 ZINC000029090684 558709656 /nfs/dbraw/zinc/70/96/56/558709656.db2.gz VDCVYYQRCFORAI-UHFFFAOYSA-N 0 3 407.345 3.903 50 0 HHAAHN COc1ccccc1NC(=O)c1c(NC(=O)CNC(C)C)sc2c1CCCC2 ZINC000004554395 558721959 /nfs/dbraw/zinc/72/19/59/558721959.db2.gz JOGHHEIQQZTUAZ-UHFFFAOYSA-N 0 3 401.532 3.824 50 0 HHAAHN Nn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1SCCN1CCCCC1 ZINC000036646120 558800708 /nfs/dbraw/zinc/80/07/08/558800708.db2.gz OJXBRDBNZMMUMH-UHFFFAOYSA-N 0 3 404.536 3.556 50 0 HHAAHN CCN(CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc(OC)cc1 ZINC000016750974 558804717 /nfs/dbraw/zinc/80/47/17/558804717.db2.gz PFZUGIXEKOBHQW-OAQYLSRUSA-N 0 3 424.472 3.828 50 0 HHAAHN COc1ccc(NC(=S)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1OC ZINC000017090404 558818995 /nfs/dbraw/zinc/81/89/95/558818995.db2.gz LGLXVRTWUJXCDP-UHFFFAOYSA-N 0 3 415.603 3.987 50 0 HHAAHN COCC[NH+]1CCC(CN(Cc2ccncc2)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000055133536 558873896 /nfs/dbraw/zinc/87/38/96/558873896.db2.gz UAKMNSBLOGPROT-UHFFFAOYSA-N 0 3 403.954 3.801 50 0 HHAAHN c1cnn(-c2cccc(CN3CCC[C@H](N4CCN(c5ccccc5)CC4)C3)c2)c1 ZINC000055307914 558878825 /nfs/dbraw/zinc/87/88/25/558878825.db2.gz CWZXMHRGETYTKU-VWLOTQADSA-N 0 3 401.558 3.659 50 0 HHAAHN Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccc(N2CCCN(C)CC2)nc1 ZINC000058100781 558898834 /nfs/dbraw/zinc/89/88/34/558898834.db2.gz WRYRKKNRBOSERM-UHFFFAOYSA-N 0 3 415.541 3.524 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)NCCO[C@H]3CCCC[C@H]3C)cc2C)CC1 ZINC000058109352 558899284 /nfs/dbraw/zinc/89/92/84/558899284.db2.gz NJFJDDUSOHOYLO-GCJKJVERSA-N 0 3 402.583 3.854 50 0 HHAAHN CCC(CC)[C@H](CNC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)N1CCCC1 ZINC000058129939 558900361 /nfs/dbraw/zinc/90/03/61/558900361.db2.gz SHAXKJCNINEQES-SFHVURJKSA-N 0 3 415.987 3.766 50 0 HHAAHN O=C(CCc1nc(-c2ccc(F)cc2)no1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000058138004 558901317 /nfs/dbraw/zinc/90/13/17/558901317.db2.gz WEWNGWVUORVGAA-NRFANRHFSA-N 0 3 422.504 3.979 50 0 HHAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000004712769 558918005 /nfs/dbraw/zinc/91/80/05/558918005.db2.gz SLSNKLFXMZPEMH-SXZORUHJSA-N 0 3 407.539 3.986 50 0 HHAAHN CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)NCCN3CCCC[C@@H]3C)c2)C1 ZINC000033264387 558984389 /nfs/dbraw/zinc/98/43/89/558984389.db2.gz BKOBBYMKNYHCKH-SIKLNZKXSA-N 0 3 414.594 3.588 50 0 HHAAHN CCC[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)C2ON1c1ccccc1 ZINC000096786941 558986932 /nfs/dbraw/zinc/98/69/32/558986932.db2.gz QHTHISMPQZWDSL-KURKYZTESA-N 0 3 415.287 3.928 50 0 HHAAHN CCCOc1ccccc1CN1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1 ZINC000091624854 559072496 /nfs/dbraw/zinc/07/24/96/559072496.db2.gz SZQJVHNYXNLASC-NRFANRHFSA-N 0 3 400.563 3.859 50 0 HHAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000011652658 559119743 /nfs/dbraw/zinc/11/97/43/559119743.db2.gz MFWBBYWNISGMDC-QFIPXVFZSA-N 0 3 418.541 3.998 50 0 HHAAHN Cc1ccccc1N1OC2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]1c1ccncc1 ZINC000100723583 559138475 /nfs/dbraw/zinc/13/84/75/559138475.db2.gz XJZAFMJCRHXMSW-HKBOAZHASA-N 0 3 403.413 3.580 50 0 HHAAHN Cc1ccc(N2C(=O)C[C@H](NC3CCN(Cc4ccccc4)CC3)C2=O)cc1Cl ZINC000102407856 559150282 /nfs/dbraw/zinc/15/02/82/559150282.db2.gz HDFAPBXNCKXMED-NRFANRHFSA-N 0 3 411.933 3.535 50 0 HHAAHN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000006358374 560559038 /nfs/dbraw/zinc/55/90/38/560559038.db2.gz ALCGUZLBKILMTQ-NYVOZVTQSA-N 0 3 411.546 3.747 50 0 HHAAHN COc1cc2[nH]c(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2c(OC)c1OC ZINC000005350635 560568842 /nfs/dbraw/zinc/56/88/42/560568842.db2.gz GYUAJAQJPSTRFN-UHFFFAOYSA-N 0 3 423.513 3.588 50 0 HHAAHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000101997247 560806956 /nfs/dbraw/zinc/80/69/56/560806956.db2.gz HXJRKUHQBVJCQZ-SLFFLAALSA-N 0 3 424.840 3.993 50 0 HHAAHN COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c1 ZINC000102706419 560820657 /nfs/dbraw/zinc/82/06/57/560820657.db2.gz XIRGTAFIESYEAK-YPAWHYETSA-N 0 3 418.424 3.885 50 0 HHAAHN C[C@H]1CCCCN1CCNC(=O)CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 ZINC000106395550 560891193 /nfs/dbraw/zinc/89/11/93/560891193.db2.gz NBYGLADCNQZALG-RBUKOAKNSA-N 0 3 418.557 3.840 50 0 HHAAHN C[C@H]1CN(c2ccccc2NC(=O)N(CCc2ccccc2)CCN(C)C)C[C@H](C)O1 ZINC000048280166 568435843 /nfs/dbraw/zinc/43/58/43/568435843.db2.gz MBWYUDXKOOGWTJ-SFTDATJTSA-N 0 3 424.589 3.938 50 0 HHAAHN CCN(CC)CCN(C(=O)c1cc(C)nn1C)c1nc2ccc(Cl)cc2s1 ZINC000012286782 568458695 /nfs/dbraw/zinc/45/86/95/568458695.db2.gz DKMPTKLMDVLUGL-UHFFFAOYSA-N 0 3 405.955 3.980 50 0 HHAAHN Cc1ccc(C(=O)NCC(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)cc1 ZINC000031078210 568502557 /nfs/dbraw/zinc/50/25/57/568502557.db2.gz VNIRMVBVHRTMQV-UHFFFAOYSA-N 0 3 415.537 3.770 50 0 HHAAHN CCOC(=O)C1=C(CN(C)C2CCCCC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020213972 568594435 /nfs/dbraw/zinc/59/44/35/568594435.db2.gz RPLZRBXZLWBDNL-IBGZPJMESA-N 0 3 405.926 3.776 50 0 HHAAHN CCOC(=O)C1C(CN(C)C2CCCCC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020213972 568594436 /nfs/dbraw/zinc/59/44/36/568594436.db2.gz RPLZRBXZLWBDNL-IBGZPJMESA-N 0 3 405.926 3.776 50 0 HHAAHN Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)NCCc1nccn1C(F)F ZINC000095450996 568614526 /nfs/dbraw/zinc/61/45/26/568614526.db2.gz GUMZWAVDCANIAZ-CYBMUJFWSA-N 0 3 409.481 3.900 50 0 HHAAHN COc1cccc(OC)c1CN1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020998050 568657399 /nfs/dbraw/zinc/65/73/99/568657399.db2.gz XNUVMTDXBRPTGO-OAQYLSRUSA-N 0 3 413.537 3.630 50 0 HHAAHN O=C(c1ccccc1)N1c2ccccc2C[C@@H]1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000021018734 568658046 /nfs/dbraw/zinc/65/80/46/568658046.db2.gz RWVTWMGNYVSTBF-XMMPIXPASA-N 0 3 417.553 3.735 50 0 HHAAHN CC(C)(C)C(=O)N1CCC(N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000095993807 568678313 /nfs/dbraw/zinc/67/83/13/568678313.db2.gz SNTXNOXRXVFQHO-QGZVFWFLSA-N 0 3 412.361 3.725 50 0 HHAAHN COc1cccc(NC(=O)C2=C(C)C(=O)OC23CCN(Cc2ccccc2)CC3)c1 ZINC000021868354 568756105 /nfs/dbraw/zinc/75/61/05/568756105.db2.gz ZVELPXHJIZNAHK-UHFFFAOYSA-N 0 3 406.482 3.542 50 0 biogenic HHAAHN CN(CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)Cc1ccco1 ZINC000057315374 568826717 /nfs/dbraw/zinc/82/67/17/568826717.db2.gz PPBVULAMJRJJGR-UHFFFAOYSA-N 0 3 418.541 3.672 50 0 HHAAHN CCOC(=O)c1ccc(NC(=S)N(CCN(C)C)[C@@H](C)c2ccncc2)cc1 ZINC000003049959 568849988 /nfs/dbraw/zinc/84/99/88/568849988.db2.gz DWLSOWMGPHYQCF-INIZCTEOSA-N 0 3 400.548 3.580 50 0 HHAAHN CC[C@H]1CN(C(=O)Nc2nc(-c3cccnc3)cs2)[C@@H](CC)CN1CC(C)(C)O ZINC000230151605 568852740 /nfs/dbraw/zinc/85/27/40/568852740.db2.gz DGVXAVIHODYYOB-IRXDYDNUSA-N 0 3 417.579 3.683 50 0 HHAAHN O[C@@H](CNCc1cccc(C(F)(F)F)c1)COc1ccc(Br)cc1 ZINC000003324088 568854554 /nfs/dbraw/zinc/85/45/54/568854554.db2.gz KDAVBDAYYYRART-HNNXBMFYSA-N 0 3 404.226 3.997 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)N(C)CCOc3ccccc3F)cc2C)CC1 ZINC000057863621 568864240 /nfs/dbraw/zinc/86/42/40/568864240.db2.gz OVWHSGFNAVYJCC-UHFFFAOYSA-N 0 3 414.525 3.819 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)N[C@H](C)CCc3ccc(O)cc3)cc2C)CC1 ZINC000057866331 568864505 /nfs/dbraw/zinc/86/45/05/568864505.db2.gz KTOJOEWLGSWFLM-LJQANCHMSA-N 0 3 410.562 3.985 50 0 HHAAHN CCOCCCNCc1cc2cc(OC)c(OC)cc2n(Cc2ccc(C)cc2)c1=O ZINC000299756402 568872918 /nfs/dbraw/zinc/87/29/18/568872918.db2.gz HVYUKTWFCUBFFF-UHFFFAOYSA-N 0 3 424.541 3.892 50 0 HHAAHN COc1cc2cc(CNCC(C)(C)OC)c(=O)n(Cc3ccc(C)cc3)c2cc1OC ZINC000299781279 568874927 /nfs/dbraw/zinc/87/49/27/568874927.db2.gz TZYLZDPAQFCCMX-UHFFFAOYSA-N 0 3 424.541 3.890 50 0 HHAAHN C[C@@H](Oc1ccc(Br)cc1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000013003818 569049381 /nfs/dbraw/zinc/04/93/81/569049381.db2.gz VBQUUEMYGITEBQ-MRXNPFEDSA-N 0 3 417.347 3.997 50 0 HHAAHN COc1ccc(NC(=O)[C@@H]2C[C@H]3CCCN3[C@@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000035828106 569061612 /nfs/dbraw/zinc/06/16/12/569061612.db2.gz YVUFEZLYZUOAFD-YQOVMPOYSA-N 0 3 405.498 3.582 50 0 HHAAHN COc1c[nH]c(CN2CC[C@@]3(C2)CCCN(Cc2ccc(C(C)C)cc2)C3)cc1=O ZINC000426414409 569072852 /nfs/dbraw/zinc/07/28/52/569072852.db2.gz OIYMVVWZWKKFQO-VWLOTQADSA-N 0 3 409.574 3.995 50 0 HHAAHN CN(C)[C@@H](CNC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000006851068 569154539 /nfs/dbraw/zinc/15/45/39/569154539.db2.gz XGEGQKACCTVBIG-QHCPKHFHSA-N 0 3 417.509 3.628 50 0 HHAAHN Cc1ccc(-c2cnc(N3CCC[C@H](C(=O)NCCN4CCCCCC4)C3)nc2)cc1 ZINC000065023423 569154958 /nfs/dbraw/zinc/15/49/58/569154958.db2.gz KNFNYCRCCMMJIT-QFIPXVFZSA-N 0 3 421.589 3.661 50 0 HHAAHN COc1ccc(Cl)cc1CS(=O)(=O)C(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000036390349 569165446 /nfs/dbraw/zinc/16/54/46/569165446.db2.gz KKURHEADHOMXPU-VMUDFCTBSA-N 0 3 401.956 3.593 50 0 HHAAHN Cc1ccccc1Oc1nccnc1SCC(=O)NCCN1CCC[C@H](C)C1 ZINC000065111223 569178839 /nfs/dbraw/zinc/17/88/39/569178839.db2.gz WGQGNQYBEYPAHJ-INIZCTEOSA-N 0 3 400.548 3.518 50 0 HHAAHN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)N(C)C1CCN(C)CC1 ZINC000036615944 569207172 /nfs/dbraw/zinc/20/71/72/569207172.db2.gz YCXVGVFUYOYZHQ-UHFFFAOYSA-N 0 3 405.546 3.901 50 0 HHAAHN CC(C)(C)OC(=O)N1CCC[C@@H](CCN2CCN(CCOc3ccccc3)CC2)C1 ZINC000170601576 569243176 /nfs/dbraw/zinc/24/31/76/569243176.db2.gz TZHHDYLYCHYHPN-NRFANRHFSA-N 0 3 417.594 3.720 50 0 HHAAHN COc1ccc([C@@H](NCCn2ccnc2)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000170606800 569244745 /nfs/dbraw/zinc/24/47/45/569244745.db2.gz LCQZLOFGCQDHQS-WOJBJXKFSA-N 0 3 400.523 3.622 50 0 HHAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1N1CCCC1=O ZINC000010217506 569253587 /nfs/dbraw/zinc/25/35/87/569253587.db2.gz ZTTLMQKZTOMMPV-UHFFFAOYSA-N 0 3 411.933 3.861 50 0 HHAAHN CCN(CC)CCN(C(=O)c1ccnn1C)c1nc2c(s1)c(Cl)ccc2C ZINC000013655171 569256749 /nfs/dbraw/zinc/25/67/49/569256749.db2.gz YJSCSSRFNIEDLL-UHFFFAOYSA-N 0 3 405.955 3.980 50 0 HHAAHN COc1ccc(N2C[C@H](C(=O)Nc3cc(CN4CCCC4)ccc3C)CC2=O)cc1 ZINC000089644341 569261558 /nfs/dbraw/zinc/26/15/58/569261558.db2.gz QYKWKVQGUPUHQV-LJQANCHMSA-N 0 3 407.514 3.591 50 0 HHAAHN CC[C@@](C)(COc1ncccc1Cl)NCC(=O)N(C)Cc1ccccc1OC ZINC000089942106 569269357 /nfs/dbraw/zinc/26/93/57/569269357.db2.gz RLJCBWXLEYHIRN-NRFANRHFSA-N 0 3 405.926 3.539 50 0 HHAAHN COc1cc(-c2noc(CN(C(C)C)[C@@H]3CCCC[C@H]3O)n2)ccc1OC(F)F ZINC000252477334 569288364 /nfs/dbraw/zinc/28/83/64/569288364.db2.gz MFWWLKNNZOSBRR-HUUCEWRRSA-N 0 3 411.449 3.861 50 0 HHAAHN CC(=O)CCc1ccc(OCC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000170654885 569295373 /nfs/dbraw/zinc/29/53/73/569295373.db2.gz WJBOWKAXLZCAJA-CVDCTZTESA-N 0 3 408.542 3.756 50 0 HHAAHN CC(C)CN1CCN([C@H]2CCOC3(CCN(C(=O)Nc4ccccc4)CC3)C2)CC1 ZINC000581819763 569320807 /nfs/dbraw/zinc/32/08/07/569320807.db2.gz JPIFHPREBNXGFK-QFIPXVFZSA-N 0 3 414.594 3.506 50 0 HHAAHN CC1CCC(NC(=O)CNC2(c3cccc(Br)c3)CCOCC2)CC1 ZINC000055055612 569380786 /nfs/dbraw/zinc/38/07/86/569380786.db2.gz AXKFPWUVVVEWIB-UHFFFAOYSA-N 0 3 409.368 3.739 50 0 HHAAHN O=C(Cc1ccc(N2CCCC2=O)cc1)NCc1ccccc1CN1CCCCC1 ZINC000007941480 569401861 /nfs/dbraw/zinc/40/18/61/569401861.db2.gz PAPXEEZNRMORQX-UHFFFAOYSA-N 0 3 405.542 3.658 50 0 HHAAHN O=C1C[C@H](NC23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccc(Br)cc1 ZINC000019868220 569432240 /nfs/dbraw/zinc/43/22/40/569432240.db2.gz PCCYUJRAKWLFES-UTNBAMHJSA-N 0 3 403.320 3.639 50 0 HHAAHN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000040070938 571151359 /nfs/dbraw/zinc/15/13/59/571151359.db2.gz DXLUSBOIMBGNPA-XMMPIXPASA-N 0 3 417.553 3.904 50 0 HHAAHN CC(C(=O)N[C@@H]1CCCC[C@H]1C)S(=O)(=O)Cc1csc(-c2cccs2)n1 ZINC000040106194 571166880 /nfs/dbraw/zinc/16/68/80/571166880.db2.gz YGGQQMPCOLDQJG-UMVBOHGHSA-N 0 3 412.602 3.870 50 0 HHAAHN Cc1ccc(-c2nc(CS(=O)(=O)C(C)C(=O)N3C[C@@H](C)C[C@H](C)C3)cs2)cc1 ZINC000040106310 571166928 /nfs/dbraw/zinc/16/69/28/571166928.db2.gz QVBNLLTVAPYTGH-YESZJQIVSA-N 0 3 420.600 3.926 50 0 HHAAHN CC(C(=O)N(C)Cc1ccccc1)S(=O)(=O)Cc1csc(-c2cccs2)n1 ZINC000040106200 571166986 /nfs/dbraw/zinc/16/69/86/571166986.db2.gz NBBOCERAYKOBDJ-AWEZNQCLSA-N 0 3 420.581 3.834 50 0 HHAAHN CC(C(=O)N(C)C1CCCCC1)S(=O)(=O)Cc1csc(-c2cccs2)n1 ZINC000040106199 571166992 /nfs/dbraw/zinc/16/69/92/571166992.db2.gz FKPSIJRAXIWGDG-CYBMUJFWSA-N 0 3 412.602 3.966 50 0 HHAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccnc4)[C@H]3C2=O)cc1 ZINC000245311657 571224277 /nfs/dbraw/zinc/22/42/77/571224277.db2.gz PQIFHYRZSUYMNW-YPAWHYETSA-N 0 3 415.449 3.531 50 0 HHAAHN Cc1ccc(C(=O)N[C@H](C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)C(C)C)cc1 ZINC000009517094 571265261 /nfs/dbraw/zinc/26/52/61/571265261.db2.gz KDGFIOQNZNVWRZ-NHTMILBNSA-N 0 3 419.569 3.892 50 0 HHAAHN COc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000010233154 571297593 /nfs/dbraw/zinc/29/75/93/571297593.db2.gz RNHDBBGKQGFRKK-JOCHJYFZSA-N 0 3 420.509 3.915 50 0 HHAAHN CCOc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)N(C)C)cc1 ZINC000010333524 571300567 /nfs/dbraw/zinc/30/05/67/571300567.db2.gz BGAVHLHWPHWZSG-JOCHJYFZSA-N 0 3 405.498 3.596 50 0 HHAAHN CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2 ZINC000012123435 962243571 /nfs/dbraw/zinc/24/35/71/962243571.db2.gz HPJJZRLNQVABJH-LJQANCHMSA-N 0 3 411.575 3.774 50 0 HHAAHN COc1cc(-c2n[nH]cc2CN2CCC(c3ccncc3)CC2)cc(OC)c1OC ZINC000012317818 962270507 /nfs/dbraw/zinc/27/05/07/962270507.db2.gz NMUKSSGKESQELS-UHFFFAOYSA-N 0 3 408.502 3.877 50 0 HHAAHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4[nH]c(C)cc4C)C3)C2)c1OC ZINC000012589670 962297812 /nfs/dbraw/zinc/29/78/12/962297812.db2.gz FIUMEAGAWGOHFK-DEOSSOPVSA-N 0 3 411.546 3.777 50 0 HHAAHN COCCNC(=O)c1cccc(OC2CCN(Cc3[nH]c4ccccc4c3C)CC2)c1 ZINC000012586211 962298390 /nfs/dbraw/zinc/29/83/90/962298390.db2.gz WFJAZNZCOQATQN-UHFFFAOYSA-N 0 3 421.541 3.896 50 0 HHAAHN Cc1cccc(COc2nc3cc(C)ccc3cc2CNC[C@@H]2CCS(=O)(=O)C2)c1 ZINC000014981418 962617882 /nfs/dbraw/zinc/61/78/82/962617882.db2.gz WGMGUURATWRJFC-FQEVSTJZSA-N 0 3 424.566 3.955 50 0 HHAAHN Cc1cccc(COc2nc3cc(C)ccc3cc2CNC[C@H]2CCS(=O)(=O)C2)c1 ZINC000014981420 962617919 /nfs/dbraw/zinc/61/79/19/962617919.db2.gz WGMGUURATWRJFC-HXUWFJFHSA-N 0 3 424.566 3.955 50 0 HHAAHN Cc1cc(CN[C@H]2CCc3c(sc4ncn(CC5CCCCC5)c(=O)c34)C2)on1 ZINC000019742403 963374056 /nfs/dbraw/zinc/37/40/56/963374056.db2.gz DTUJLPRLHUCRPQ-INIZCTEOSA-N 0 3 412.559 3.982 50 0 HHAAHN Cc1c2cc(C)cc(CNC(=O)C[C@H]3CN(C)CCN3C)c2[nH]c1-c1ccccc1 ZINC000020907327 963403316 /nfs/dbraw/zinc/40/33/16/963403316.db2.gz CBPVSJYQNQCXGJ-NRFANRHFSA-N 0 3 404.558 3.704 50 0 HHAAHN O=c1cc(C(F)F)nc(-c2ccccc2CN2CCC[N@@H+](C3CCCC3)CC2)[n-]1 ZINC000055108162 965757559 /nfs/dbraw/zinc/75/75/59/965757559.db2.gz RWHXBQNZBDXBEF-UHFFFAOYSA-N 0 3 402.489 3.825 50 0 HHAAHN O=c1cc(C(F)F)nc(-c2ccccc2CN2CCC[N@H+](C3CCCC3)CC2)[n-]1 ZINC000055108162 965757562 /nfs/dbraw/zinc/75/75/62/965757562.db2.gz RWHXBQNZBDXBEF-UHFFFAOYSA-N 0 3 402.489 3.825 50 0 HHAAHN O=C(NCCCN1CCc2ccccc2C1)[C@@H]1CCCCC(=O)N1Cc1ccccc1 ZINC000169780851 970480681 /nfs/dbraw/zinc/48/06/81/970480681.db2.gz CWZSDTMTBDGRCL-DEOSSOPVSA-N 0 3 419.569 3.522 50 0 HHAAHN COc1ccc(C(=O)N2CCC(N3C[C@@H](OCC4CC4)C34CCCCC4)CC2)cn1 ZINC000169787009 970481862 /nfs/dbraw/zinc/48/18/62/970481862.db2.gz XBCMGJOQYOUFEN-OAQYLSRUSA-N 0 3 413.562 3.509 50 0 HHAAHN Fc1ccc(CN2CCC(N3C[C@H](OCC4CC4)C34CCOCC4)CC2)c(F)c1 ZINC000257186207 970621408 /nfs/dbraw/zinc/62/14/08/970621408.db2.gz YPVARFXAAJDMJL-QFIPXVFZSA-N 0 3 406.517 3.589 50 0 HHAAHN COc1ccc(Cl)cc1C(=O)N1CCC([C@H]2c3[nH]cnc3CCN2C(C)C)CC1 ZINC000409419668 972890943 /nfs/dbraw/zinc/89/09/43/972890943.db2.gz APSNVTAJWCXJBP-NRFANRHFSA-N 0 3 416.953 3.932 50 0 HHAAHN O=C(c1ccccc1OC[C@@H]1CCCN(Cc2ccsc2)C1)N1CCOCC1 ZINC000169749164 1075688531 /nfs/dbraw/zinc/68/85/31/1075688531.db2.gz NSHOMGXQJYWKOO-GOSISDBHSA-N 0 3 400.544 3.512 50 0 HHAAHN O=C(c1ccccc1OC[C@H]1CCCN(Cc2ccsc2)C1)N1CCOCC1 ZINC000169749165 1075688594 /nfs/dbraw/zinc/68/85/94/1075688594.db2.gz NSHOMGXQJYWKOO-SFHVURJKSA-N 0 3 400.544 3.512 50 0 HHAAHN CCN1CCN(c2nc3cc4c(cc3cc2CNCc2cccc(F)c2)OCO4)CC1 ZINC000012155576 132355435 /nfs/dbraw/zinc/35/54/35/132355435.db2.gz PMMREDJLJBDQSM-UHFFFAOYSA-N 0 3 422.504 3.534 50 0 HHAAHN Cc1ccc(N2CCN(C[C@H](O)Cn3c4ccccc4nc3C(F)(F)F)CC2)cc1 ZINC000028297201 132492724 /nfs/dbraw/zinc/49/27/24/132492724.db2.gz SEMXTDOYGUQDTK-SFHVURJKSA-N 0 3 418.463 3.547 50 0 HHAAHN COc1nc2cc(C)c(C)cc2nc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000045967250 524989658 /nfs/dbraw/zinc/98/96/58/524989658.db2.gz WKXKREYUYMSLAB-UHFFFAOYSA-N 0 3 404.514 3.650 50 0 HHAAHN Cc1ccc(-c2cccc3c(C(=O)NCCCN4CCN(C)CC4)cc(C)nc23)cc1 ZINC000033036947 525757043 /nfs/dbraw/zinc/75/70/43/525757043.db2.gz LBQQLWYFYQBYLS-UHFFFAOYSA-N 0 3 416.569 3.886 50 0 HHAAHN CSc1ccccc1CN1CCC(CNC(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000043991307 526159393 /nfs/dbraw/zinc/15/93/93/526159393.db2.gz PMCJEILIERUFKA-OAQYLSRUSA-N 0 3 412.555 3.577 50 0 HHAAHN O=C(NCCN1CCCC1)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000040355460 526305940 /nfs/dbraw/zinc/30/59/40/526305940.db2.gz KLGDYLIOUIGCOD-UHFFFAOYSA-N 0 3 413.330 3.528 50 0 HHAAHN O=C(Nc1ccc(F)cc1)[C@@H](NC1CCN(C(=O)c2ccco2)CC1)c1ccccc1 ZINC000032899560 527202687 /nfs/dbraw/zinc/20/26/87/527202687.db2.gz ORIUBRLUCLQZKM-QFIPXVFZSA-N 0 3 421.472 3.993 50 0 HHAAHN Cc1cc([C@H]2C[C@@H](C(=O)N3CCOCC3)CN(Cc3ccc(F)cc3)C2)ccc1F ZINC000034716779 557430440 /nfs/dbraw/zinc/43/04/40/557430440.db2.gz GZYJQPIIMAMLAA-LEWJYISDSA-N 0 3 414.496 3.738 50 0 HHAAHN COCCN(C[C@@H]1CN(Cc2cccn2C)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740524 557444116 /nfs/dbraw/zinc/44/41/16/557444116.db2.gz RPICABBINFTRDJ-NZQKXSOJSA-N 0 3 415.553 3.511 50 0 HHAAHN O=C1C[C@@H](NCCc2c[nH]c3ccc(Cl)cc23)C(=O)N1c1cccc(Cl)c1 ZINC000005274593 557642892 /nfs/dbraw/zinc/64/28/92/557642892.db2.gz ZPQGNKIGSXBTTC-GOSISDBHSA-N 0 3 402.281 3.939 50 0 HHAAHN CCOC(=O)c1sc2nc3c(cc2c1NC(=O)CNCC(C)C)COC(C)(C)C3 ZINC000009061222 557821352 /nfs/dbraw/zinc/82/13/52/557821352.db2.gz SQATUCPWXYLSPD-UHFFFAOYSA-N 0 3 419.547 3.508 50 0 HHAAHN O[C@@H](COc1ccccc1CNCc1cc(-c2ccccc2)n[nH]1)CN1CCCCC1 ZINC000011662318 558266222 /nfs/dbraw/zinc/26/62/22/558266222.db2.gz KWDKYLRHVJNHMX-HSZRJFAPSA-N 0 3 420.557 3.592 50 0 HHAAHN Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc4nonc4c3)C2)cc1 ZINC000011663392 558267052 /nfs/dbraw/zinc/26/70/52/558267052.db2.gz QIJPFQJNRMLCJF-GOSISDBHSA-N 0 3 416.485 3.568 50 0 HHAAHN COC(=O)CCCC(=O)N(CC(C)C)CC1CCN(Cc2ccccc2OC)CC1 ZINC000011773465 558274517 /nfs/dbraw/zinc/27/45/17/558274517.db2.gz CIICRQQJBOBOOW-UHFFFAOYSA-N 0 3 418.578 3.735 50 0 HHAAHN Clc1cccc(N2CCN([C@H]3CCCN(Cc4cccc5c4OCO5)C3)CC2)c1 ZINC000019789880 558282170 /nfs/dbraw/zinc/28/21/70/558282170.db2.gz YQTGHPBCPGRIDD-NRFANRHFSA-N 0 3 413.949 3.855 50 0 HHAAHN Cc1ccc2c(c1)CN(CCC(=O)N1CCC([C@@H](O)c3ccccc3)CC1)C[C@@H](C)O2 ZINC000011841873 558287440 /nfs/dbraw/zinc/28/74/40/558287440.db2.gz XPTRGIZHCYWHAA-IBVKSMDESA-N 0 3 422.569 3.940 50 0 HHAAHN COc1ccc(-c2nn(-c3ccccc3C)cc2CNC[C@@H]2COCCO2)cc1F ZINC000011873726 558291473 /nfs/dbraw/zinc/29/14/73/558291473.db2.gz BTBLIKKXXRBIQG-LJQANCHMSA-N 0 3 411.477 3.500 50 0 HHAAHN Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCCN(C(=O)CN2CCCCCC2)C1 ZINC000011933114 558297948 /nfs/dbraw/zinc/29/79/48/558297948.db2.gz QXJOMRDUOSLBQX-IBGZPJMESA-N 0 3 403.542 3.967 50 0 HHAAHN O=C(NC[C@H]1CCC2(CCN(Cc3ccccn3)CC2)O1)c1ccc2cc[nH]c2c1 ZINC000011973530 558305365 /nfs/dbraw/zinc/30/53/65/558305365.db2.gz SRRFOSLDBCTSQK-OAQYLSRUSA-N 0 3 404.514 3.507 50 0 HHAAHN Cc1ccc(-n2cccn2)c(CN2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)c1 ZINC000012076178 558319931 /nfs/dbraw/zinc/31/99/31/558319931.db2.gz BWPSUWIZTOIOJT-LJQANCHMSA-N 0 3 406.505 3.962 50 0 HHAAHN COc1cccc(C(=O)NC[C@H]2CCCN(Cc3c[nH]c4ccccc34)C2)c1OC ZINC000012192463 558348148 /nfs/dbraw/zinc/34/81/48/558348148.db2.gz ZLROBFLQINHSMG-QGZVFWFLSA-N 0 3 407.514 3.827 50 0 HHAAHN COc1cccc(C[C@@]2(CO)CCCN(Cc3cc(F)ccc3-n3cccn3)C2)c1 ZINC000012201333 558351498 /nfs/dbraw/zinc/35/14/98/558351498.db2.gz PZOHQFFSBCHYAH-DEOSSOPVSA-N 0 3 409.505 3.837 50 0 HHAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)[C@@H]1CC=CCC1 ZINC000012205255 558352602 /nfs/dbraw/zinc/35/26/02/558352602.db2.gz ZVFMLXVAQNPHBS-OAQYLSRUSA-N 0 3 400.563 3.739 50 0 HHAAHN COc1ccc2cc(CNCCn3ccnc3)c(OCc3ccccc3F)nc2c1 ZINC000012217638 558354353 /nfs/dbraw/zinc/35/43/53/558354353.db2.gz YNGZSSYRKKDLCZ-UHFFFAOYSA-N 0 3 406.461 3.948 50 0 HHAAHN Cc1ccc(N2C(=O)C[C@@H](NC3CCN(Cc4ccccc4)CC3)C2=O)cc1Cl ZINC000020395315 558359915 /nfs/dbraw/zinc/35/99/15/558359915.db2.gz HDFAPBXNCKXMED-OAQYLSRUSA-N 0 3 411.933 3.535 50 0 HHAAHN COc1cc(-c2nc(CN3CCCC[C@@H]3CCN3CCOCC3)c(C)o2)ccc1F ZINC000020452189 558366254 /nfs/dbraw/zinc/36/62/54/558366254.db2.gz FCPCYMRLYAZMKP-LJQANCHMSA-N 0 3 417.525 3.875 50 0 HHAAHN CCOC[C@H](O)CNCc1cn(-c2ccc(OC)cc2)nc1-c1ccccc1Cl ZINC000012298997 558369010 /nfs/dbraw/zinc/36/90/10/558369010.db2.gz SRQMMUGAEAQKBM-GOSISDBHSA-N 0 3 415.921 3.688 50 0 HHAAHN Cc1c([C@H](C)NCc2cn(CC(N)=O)c3ccccc23)cnn1-c1cccc(F)c1 ZINC000012305990 558374898 /nfs/dbraw/zinc/37/48/98/558374898.db2.gz QFHUNSZFYSTPSO-HNNXBMFYSA-N 0 3 405.477 3.611 50 0 HHAAHN COc1ccccc1/C=C/CN1CCC[C@H](CNC(=O)c2[nH]nc3ccccc32)C1 ZINC000012316992 558380284 /nfs/dbraw/zinc/38/02/84/558380284.db2.gz NGSVQXLDIUZZGZ-RUJXFNLJSA-N 0 3 404.514 3.727 50 0 HHAAHN O[C@@H](CNCCNc1ncccc1C(F)(F)F)COc1ccc(Cl)c(Cl)c1 ZINC000012338942 558386078 /nfs/dbraw/zinc/38/60/78/558386078.db2.gz OZKXQMJKCKPFLX-NSHDSACASA-N 0 3 424.250 3.849 50 0 HHAAHN CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(Cc2ccc3c(c2)CCO3)C1 ZINC000012434949 558408545 /nfs/dbraw/zinc/40/85/45/558408545.db2.gz KGNWLOPCLXOSPX-FQEVSTJZSA-N 0 3 407.558 3.710 50 0 HHAAHN c1c2ccccc2oc1-c1nn(Cc2ccccc2)cc1CNC[C@@H]1COCCO1 ZINC000012440475 558411757 /nfs/dbraw/zinc/41/17/57/558411757.db2.gz SKVOPWWDEMFKCH-OAQYLSRUSA-N 0 3 403.482 3.850 50 0 HHAAHN CCOC(=O)c1[nH]c(C)c(C(=O)N[C@H]2CCCN(CCCc3ccccc3)C2)c1C ZINC000012458195 558418329 /nfs/dbraw/zinc/41/83/29/558418329.db2.gz QFCKPRYZSNQQJG-FQEVSTJZSA-N 0 3 411.546 3.635 50 0 HHAAHN COc1ccc(-c2ncc(CN[C@@H]3CCCN(Cc4cccc(OC)c4)C3)cn2)cc1 ZINC000020909067 558421759 /nfs/dbraw/zinc/42/17/59/558421759.db2.gz CMUQREJUKUPBLL-JOCHJYFZSA-N 0 3 418.541 3.915 50 0 HHAAHN CN(C(=O)CC[C@@H]1CCCN(Cc2ccc([O-])c(Cl)c2)C1)C1CC[NH+](C)CC1 ZINC000012574391 558430449 /nfs/dbraw/zinc/43/04/49/558430449.db2.gz YVPCCGKLTFHSNH-KRWDZBQOSA-N 0 3 407.986 3.590 50 0 HHAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)NCCc2ccccc2)C1 ZINC000012578202 558431790 /nfs/dbraw/zinc/43/17/90/558431790.db2.gz NMWAGPXBHSEBKE-QFIPXVFZSA-N 0 3 409.574 3.834 50 0 HHAAHN COc1ccc(C(=O)[C@H]2CCCN(C3CCN(Cc4ccco4)CC3)C2)cc1F ZINC000012597069 558438140 /nfs/dbraw/zinc/43/81/40/558438140.db2.gz BQURPLKOQPMSBZ-SFHVURJKSA-N 0 3 400.494 3.987 50 0 HHAAHN COc1ccc(C(=O)[C@@H]2CCCN(C3CCN(Cc4ccco4)CC3)C2)cc1F ZINC000012597067 558438233 /nfs/dbraw/zinc/43/82/33/558438233.db2.gz BQURPLKOQPMSBZ-GOSISDBHSA-N 0 3 400.494 3.987 50 0 HHAAHN CCn1nc(C)c(CN2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)c1C ZINC000012710338 558451884 /nfs/dbraw/zinc/45/18/84/558451884.db2.gz VUIFVYVOJCZBOJ-UHFFFAOYSA-N 0 3 420.561 3.735 50 0 HHAAHN O=C(N[C@@H]1CCCN(CCCc2ccccc2)C1)C1CCN(Cc2ccco2)CC1 ZINC000012755061 558459890 /nfs/dbraw/zinc/45/98/90/558459890.db2.gz VAZLHZAFMINZAC-HSZRJFAPSA-N 0 3 409.574 3.705 50 0 HHAAHN CN(C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)[C@@H]1CCOC1 ZINC000013595911 558547051 /nfs/dbraw/zinc/54/70/51/558547051.db2.gz DNXGOCLDAXFQNW-JOCHJYFZSA-N 0 3 408.542 3.633 50 0 HHAAHN COc1cccc(CN2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)c1OC ZINC000023361237 558552551 /nfs/dbraw/zinc/55/25/51/558552551.db2.gz YGTIVCXUPNNMTL-FQEVSTJZSA-N 0 3 413.537 3.630 50 0 HHAAHN c1[nH]nc(-c2ccccc2)c1CN1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000023374980 558554474 /nfs/dbraw/zinc/55/44/74/558554474.db2.gz IFWUGSJUQPQBIB-XMMPIXPASA-N 0 3 401.558 3.863 50 0 HHAAHN Cc1cc(C(=O)N[C@H](C)CN2CCCCC2)c2c(n1)onc2-c1ccc2c(c1)OCO2 ZINC000013641526 558555725 /nfs/dbraw/zinc/55/57/25/558555725.db2.gz HPJLOOVCFHZZNR-OAHLLOKOSA-N 0 3 422.485 3.531 50 0 HHAAHN Cc1ccc(C)c(NC(=O)CC2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)c1 ZINC000023382245 558555809 /nfs/dbraw/zinc/55/58/09/558555809.db2.gz XZAKCVDHSDAXNK-DYESRHJHSA-N 0 3 418.497 3.749 50 0 HHAAHN CN(C)[C@@H](CNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000025419359 558640416 /nfs/dbraw/zinc/64/04/16/558640416.db2.gz CTEURORNABHDFN-RPWUZVMVSA-N 0 3 415.537 3.967 50 0 HHAAHN CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@H](N(C)Cc1ccsc1)CC2 ZINC000014748314 558669947 /nfs/dbraw/zinc/66/99/47/558669947.db2.gz LXDNIZHUYXJBMU-LJQANCHMSA-N 0 3 408.571 3.743 50 0 HHAAHN Cn1cc(CN2CCC3(CC2)C(=O)N(C)C(=O)N3Cc2ccccc2)c2ccccc21 ZINC000014751064 558670833 /nfs/dbraw/zinc/67/08/33/558670833.db2.gz PLIAVTJTZTWPEN-UHFFFAOYSA-N 0 3 416.525 3.607 50 0 HHAAHN COc1ccc(OCC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCCC2)cc1 ZINC000027664218 558679485 /nfs/dbraw/zinc/67/94/85/558679485.db2.gz VEOPXJVTPONFOQ-HSZRJFAPSA-N 0 3 412.530 3.816 50 0 HHAAHN CN(C(=O)c1cc2ccccc2oc1=O)[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000014948436 558680254 /nfs/dbraw/zinc/68/02/54/558680254.db2.gz VXOUDUDNWRLPEQ-NRFANRHFSA-N 0 3 404.510 3.962 50 0 HHAAHN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC1(N2CCN(C)CC2)CCCCC1 ZINC000027744285 558681128 /nfs/dbraw/zinc/68/11/28/558681128.db2.gz DSRIORSLQVDQPD-FQEVSTJZSA-N 0 3 415.622 3.818 50 0 HHAAHN Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCC(C(N)=O)CC1 ZINC000014961067 558684077 /nfs/dbraw/zinc/68/40/77/558684077.db2.gz ALZOPBHNKVZVCV-UHFFFAOYSA-N 0 3 410.468 3.823 50 0 HHAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)c2cc(C(C)C)nn2C)C1 ZINC000014962191 558684478 /nfs/dbraw/zinc/68/44/78/558684478.db2.gz DDQMEILYBVEZBR-LJQANCHMSA-N 0 3 412.578 3.579 50 0 HHAAHN Cn1cc(CN2CCC(CCC(=O)NCc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000014962687 558684579 /nfs/dbraw/zinc/68/45/79/558684579.db2.gz LFYPUDCQIALBNU-UHFFFAOYSA-N 0 3 408.468 3.748 50 0 HHAAHN Cc1cccc(-c2cccc(C(=O)N3CCC(=O)N(CCN4CCCCC4)CC3)c2)c1 ZINC000014993599 558695341 /nfs/dbraw/zinc/69/53/41/558695341.db2.gz XOINFHUEXFGXBC-UHFFFAOYSA-N 0 3 419.569 3.822 50 0 HHAAHN Cc1ccc(-n2c(O)c3onc(-c4ccccc4Cl)c3c2O)c(Br)c1 ZINC000016000392 558765978 /nfs/dbraw/zinc/76/59/78/558765978.db2.gz BRNQLZKRFOUKMS-GDBMZVCRSA-N 0 3 419.662 3.703 50 0 HHAAHN CCOc1ccccc1N1CCN(C(=O)C2CCN(Cc3ccc(C)o3)CC2)CC1 ZINC000004706997 558780649 /nfs/dbraw/zinc/78/06/49/558780649.db2.gz XVWKVVBHWAGLKE-UHFFFAOYSA-N 0 3 411.546 3.548 50 0 HHAAHN Cc1ccc2cc(C(=O)Nc3ccccc3CN3CCC[C@H](C(N)=O)C3)c(C)nc2c1 ZINC000071862937 558837357 /nfs/dbraw/zinc/83/73/57/558837357.db2.gz HDLQMSQXOINFDY-FQEVSTJZSA-N 0 3 416.525 3.801 50 0 HHAAHN O=C(CSc1nc2ccccc2[nH]1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004625135 558888433 /nfs/dbraw/zinc/88/84/33/558888433.db2.gz BRIDMNYKWPBDTM-UHFFFAOYSA-N 0 3 410.587 3.768 50 0 HHAAHN CCC(CC)[C@@H](CNC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)N1CCCC1 ZINC000058129930 558900424 /nfs/dbraw/zinc/90/04/24/558900424.db2.gz SHAXKJCNINEQES-GOSISDBHSA-N 0 3 415.987 3.766 50 0 HHAAHN NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)CSc3ccccc3Cl)cc2)C1 ZINC000058300277 558917544 /nfs/dbraw/zinc/91/75/44/558917544.db2.gz YRKXYDMJNFFIQI-INIZCTEOSA-N 0 3 417.962 3.768 50 0 HHAAHN CCn1c2ccccc2nc1CN1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000019607588 558946605 /nfs/dbraw/zinc/94/66/05/558946605.db2.gz QZJCZFHGECHCTA-JOCHJYFZSA-N 0 3 403.574 3.843 50 0 HHAAHN CCN1CCC[C@@H]1CNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915077 558971654 /nfs/dbraw/zinc/97/16/54/558971654.db2.gz VOYWHIUYUMJRRO-GOSISDBHSA-N 0 3 420.557 3.737 50 0 HHAAHN CN1CCN([C@@H](CNCc2cc(Cl)c3c(c2)OCCCO3)c2cccs2)CC1 ZINC000022015919 558984324 /nfs/dbraw/zinc/98/43/24/558984324.db2.gz XAMWZOIISXTHFC-SFHVURJKSA-N 0 3 421.994 3.641 50 0 HHAAHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)CC2)cc1 ZINC000067622844 558990015 /nfs/dbraw/zinc/99/00/15/558990015.db2.gz DVSFXORUFKKWRS-UHFFFAOYSA-N 0 3 406.574 3.598 50 0 HHAAHN COc1cccc(-c2noc(CN(C)C(=O)C3CCN(Cc4ccccc4)CC3)n2)c1 ZINC000067629538 558990261 /nfs/dbraw/zinc/99/02/61/558990261.db2.gz BKNIEAFLYCVBFP-UHFFFAOYSA-N 0 3 420.513 3.616 50 0 HHAAHN COCCCN1CC2(CCC1=O)CCN(Cc1c[nH]nc1C1CCCCC1)CC2 ZINC000091305706 559071128 /nfs/dbraw/zinc/07/11/28/559071128.db2.gz XLFIHJCSXVQMSL-UHFFFAOYSA-N 0 3 402.583 3.699 50 0 HHAAHN CN1CCC(Cc2noc([C@@H]3CCC(=O)N(Cc4ccc(Cl)cc4)C3)n2)CC1 ZINC000091664298 559072840 /nfs/dbraw/zinc/07/28/40/559072840.db2.gz RUWGOYPUQVFEGO-QGZVFWFLSA-N 0 3 402.926 3.514 50 0 HHAAHN Cc1cc(=O)cc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccc(Cl)cc3)C2)o1 ZINC000095530306 559086740 /nfs/dbraw/zinc/08/67/40/559086740.db2.gz VUCRVSURLPIADY-SFHVURJKSA-N 0 3 402.922 3.628 50 0 HHAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000100722334 559138495 /nfs/dbraw/zinc/13/84/95/559138495.db2.gz AJAPTWKTHVPRHV-YPAWHYETSA-N 0 3 418.424 3.885 50 0 HHAAHN O=C1C2ON(c3ccc(Cl)cc3)[C@@H](c3cccnc3)[C@H]2C(=O)N1c1ccccc1 ZINC000101232114 559144123 /nfs/dbraw/zinc/14/41/23/559144123.db2.gz URMJABIZXOISIF-HSALFYBXSA-N 0 3 405.841 3.786 50 0 HHAAHN CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCCO4)=NN12 ZINC000005093297 559244129 /nfs/dbraw/zinc/24/41/29/559244129.db2.gz ACTBIHRECOLKOM-FQEVSTJZSA-N 0 3 405.498 3.813 50 0 HHAAHN Cc1ccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NCCN(C)C)cc2)cc1 ZINC000037556469 559255169 /nfs/dbraw/zinc/25/51/69/559255169.db2.gz LBKLGOVTAXLHOR-UHFFFAOYSA-N 0 3 419.525 3.655 50 0 HHAAHN COc1ccc2[nH]c(CN3CCC(CCC(=O)NC[C@@H]4CCCO4)CC3)c(C)c2c1 ZINC000011844285 559261695 /nfs/dbraw/zinc/26/16/95/559261695.db2.gz FWAVOAPJCXICKG-FQEVSTJZSA-N 0 3 413.562 3.772 50 0 HHAAHN C[C@@H]1CCCCN1CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 ZINC000248157319 559265741 /nfs/dbraw/zinc/26/57/41/559265741.db2.gz WAZDEYWLRCMYRY-HBGVWJBISA-N 0 3 411.571 3.649 50 0 HHAAHN O=C(CCC1CCN(C(=O)C2=CCCC2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000012002828 559270739 /nfs/dbraw/zinc/27/07/39/559270739.db2.gz VAXIVGWIPSMWAR-QHCPKHFHSA-N 0 3 409.574 3.506 50 0 HHAAHN COc1ccc(CCN(C)CC(=O)Nc2c3c(nc4c2CCCC4)CCC3)cc1OC ZINC000003141999 560733706 /nfs/dbraw/zinc/73/37/06/560733706.db2.gz FAUCOTAVVZTOGQ-UHFFFAOYSA-N 0 3 423.557 3.579 50 0 HHAAHN COc1ccc([C@H]2[C@H](COC(=O)CCCNC(=O)OC(C)(C)C)CCCN2C)cc1 ZINC000106914053 560894589 /nfs/dbraw/zinc/89/45/89/560894589.db2.gz UYCUZMNLVLTQNF-RXVVDRJESA-N 0 3 420.550 3.926 50 0 HHAAHN Cc1cccc(CN2CCC(NC(=O)Cc3cc(Cl)c4c(c3)OCCO4)CC2)c1 ZINC000048370769 568442224 /nfs/dbraw/zinc/44/22/24/568442224.db2.gz FTDGNCUIACDONL-UHFFFAOYSA-N 0 3 414.933 3.743 50 0 HHAAHN Cc1cccc(CN2CCC(NC(=O)NC[C@@H]3CCN(c4ccccc4)C3)CC2)c1 ZINC000048801177 568443376 /nfs/dbraw/zinc/44/33/76/568443376.db2.gz RNEROVAURPPJBQ-QFIPXVFZSA-N 0 3 406.574 3.785 50 0 HHAAHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000095397902 568604623 /nfs/dbraw/zinc/60/46/23/568604623.db2.gz MJJZVCSKBBVBJO-IBGZPJMESA-N 0 3 411.502 3.682 50 0 HHAAHN CCN(CC(=O)NCc1ccc(C)c(F)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000225670320 568662470 /nfs/dbraw/zinc/66/24/70/568662470.db2.gz QAUYCIZUAMLZSG-LJQANCHMSA-N 0 3 421.557 3.862 50 0 HHAAHN COc1ccc2c(c1)[nH]c1c2ncn(CCN2CCC(Cc3ccccc3)CC2)c1=O ZINC000021167633 568675048 /nfs/dbraw/zinc/67/50/48/568675048.db2.gz UIFLJLJZKACUNR-UHFFFAOYSA-N 0 3 416.525 3.841 50 0 HHAAHN COc1cc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)n(C)c2cc1OC ZINC000096117019 568696267 /nfs/dbraw/zinc/69/62/67/568696267.db2.gz XZFIGROPPDBEJI-UHFFFAOYSA-N 0 3 407.514 3.590 50 0 HHAAHN CC(C)[C@@H]1C[C@H](C(=O)Nc2ccc(F)cc2)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc12 ZINC000227309172 568703608 /nfs/dbraw/zinc/70/36/08/568703608.db2.gz DNLKODGNLMHUES-PLMTUMEDSA-N 0 3 401.869 3.899 50 0 HHAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000238881678 568727102 /nfs/dbraw/zinc/72/71/02/568727102.db2.gz AWYACEIVBOFBHB-BHIFYINESA-N 0 3 418.424 3.885 50 0 HHAAHN CCN(CC)CCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021855888 568754683 /nfs/dbraw/zinc/75/46/83/568754683.db2.gz IZOZRBMMVLNHEU-VWLOTQADSA-N 0 3 424.589 3.647 50 0 HHAAHN Cc1ccc(Nc2nc(N3CCN(C4CCCCC4)CC3)nc3c2cnn3C)cc1 ZINC000021928885 568761550 /nfs/dbraw/zinc/76/15/50/568761550.db2.gz NWPMYBQJUPXHQM-UHFFFAOYSA-N 0 3 405.550 3.870 50 0 HHAAHN CCN1CCN(c2ccc(N[C@H](C)C(=O)Nc3c(F)cccc3F)c(C)c2)CC1 ZINC000056170313 568790626 /nfs/dbraw/zinc/79/06/26/568790626.db2.gz MIBYCEMNQJYRSY-MRXNPFEDSA-N 0 3 402.489 3.854 50 0 HHAAHN CN(C)CCNCc1nn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 ZINC000261492021 568820416 /nfs/dbraw/zinc/82/04/16/568820416.db2.gz PPLLLWHATPHBKV-UHFFFAOYSA-N 0 3 404.345 3.951 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)N(C)CCOc3ccc(C)cc3)cc2C)CC1 ZINC000057882727 568865524 /nfs/dbraw/zinc/86/55/24/568865524.db2.gz DIPWRHFORGJAOH-UHFFFAOYSA-N 0 3 410.562 3.988 50 0 HHAAHN Cc1ccc(-c2noc(CCC(=O)NC3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000004034948 568879463 /nfs/dbraw/zinc/87/94/63/568879463.db2.gz ZUYQYWRFKRNDAV-UHFFFAOYSA-N 0 3 404.514 3.758 50 0 HHAAHN CN(C)[C@@H](CNc1ncc(Cl)c(NC[C@@H](c2ccco2)N(C)C)n1)c1ccco1 ZINC000083847769 568918540 /nfs/dbraw/zinc/91/85/40/568918540.db2.gz UDRKVVRIGCOIDX-HOTGVXAUSA-N 0 3 418.929 3.746 50 0 HHAAHN CN(C(=O)Cc1ccc(OC(F)(F)F)cc1)C1CCN(CCc2ccccn2)CC1 ZINC000083855699 568920858 /nfs/dbraw/zinc/92/08/58/568920858.db2.gz LYCSYIHUJUOSFF-UHFFFAOYSA-N 0 3 421.463 3.688 50 0 HHAAHN Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCCN1CCCC[C@H]1C ZINC000015681643 568968099 /nfs/dbraw/zinc/96/80/99/568968099.db2.gz CKMVAMCFAFFNPL-QGZVFWFLSA-N 0 3 409.509 3.715 50 0 HHAAHN O=C(NC[C@@H](c1ccccc1)N1CCCCCC1)C1(N2CCOCC2)CCCCC1 ZINC000670467774 568975127 /nfs/dbraw/zinc/97/51/27/568975127.db2.gz KIOHSYQVWKEFPU-QHCPKHFHSA-N 0 3 413.606 3.755 50 0 HHAAHN CCc1ccc([C@@H](CNC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)N(C)C)cc1 ZINC000012797620 568976399 /nfs/dbraw/zinc/97/63/99/568976399.db2.gz RGAMGITUBPYRQM-YADHBBJMSA-N 0 3 413.537 3.562 50 0 HHAAHN Cc1oc2ncnc(N3CCCCC3)c2c1C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000015727569 568978743 /nfs/dbraw/zinc/97/87/43/568978743.db2.gz ISJNOSSZXKWVBR-UHFFFAOYSA-N 0 3 421.545 3.726 50 0 HHAAHN CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000012818769 568990691 /nfs/dbraw/zinc/99/06/91/568990691.db2.gz BYTCSAIVCXLBRQ-JOCHJYFZSA-N 0 3 408.546 3.614 50 0 HHAAHN O=C(NCC1CCN(Cc2cccc(F)c2)CC1)c1[nH]nc2c1CCc1ccccc1-2 ZINC000015772841 568998881 /nfs/dbraw/zinc/99/88/81/568998881.db2.gz SSLSWKRTTMPYCT-UHFFFAOYSA-N 0 3 418.516 3.956 50 0 HHAAHN CCn1cc([C@H](CC(=O)NCCN(C)C)c2cc(OC)cc(OC)c2)c2ccccc21 ZINC000006713925 569041263 /nfs/dbraw/zinc/04/12/63/569041263.db2.gz YDDUSEZUBOBBBV-JOCHJYFZSA-N 0 3 423.557 3.878 50 0 HHAAHN O=C1C2ON(c3ccc(Cl)cc3)[C@H](c3cccnc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000238937247 569053924 /nfs/dbraw/zinc/05/39/24/569053924.db2.gz URMJABIZXOISIF-XUVXKRRUSA-N 0 3 405.841 3.786 50 0 HHAAHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4onc5c4CCCC5)C3)C2)c1 ZINC000426374295 569072559 /nfs/dbraw/zinc/07/25/59/569072559.db2.gz PDODLUYRLKEKRO-DEOSSOPVSA-N 0 3 409.530 3.690 50 0 HHAAHN COc1ccc(CN(C[C@H](O)COc2ccc(Cl)cc2)C[C@H]2CCCO2)cc1 ZINC000036095287 569089864 /nfs/dbraw/zinc/08/98/64/569089864.db2.gz PAWORNMZZRBLRK-SIKLNZKXSA-N 0 3 405.922 3.770 50 0 HHAAHN COCCCN(Cc1ccc(OC)c(OC)c1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036095943 569089971 /nfs/dbraw/zinc/08/99/71/569089971.db2.gz RAKXNOXHRSLQMM-LJQANCHMSA-N 0 3 423.937 3.636 50 0 HHAAHN CC(C)c1nc2ccc(C(=O)NCCCN3CCN(Cc4ccccc4)CC3)cc2o1 ZINC000064968382 569138060 /nfs/dbraw/zinc/13/80/60/569138060.db2.gz HXKHPWNRSGFWED-UHFFFAOYSA-N 0 3 420.557 3.889 50 0 HHAAHN COc1ccc(NC(=O)c2cccc(N3CCN[C@@H](c4ccccc4)C3)n2)cc1OC ZINC000065256254 569208198 /nfs/dbraw/zinc/20/81/98/569208198.db2.gz SLQKIHIQDWGXCK-HXUWFJFHSA-N 0 3 418.497 3.502 50 0 HHAAHN CSc1ccc(CNC(=O)c2ccnc(N3CCN[C@H](c4ccccc4)C3)c2)cc1 ZINC000065256034 569208239 /nfs/dbraw/zinc/20/82/39/569208239.db2.gz ARZSRPLGWXYXTH-QFIPXVFZSA-N 0 3 418.566 3.884 50 0 HHAAHN O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000065512510 569233241 /nfs/dbraw/zinc/23/32/41/569233241.db2.gz LRKYTJGKSXCYDT-PMACEKPBSA-N 0 3 413.512 3.820 50 0 HHAAHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000170597465 569242088 /nfs/dbraw/zinc/24/20/88/569242088.db2.gz KIDNJHVEOHEFJF-NRFANRHFSA-N 0 3 417.594 3.906 50 0 HHAAHN O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@@H]1COc2ccccc2C1 ZINC000089857885 569267195 /nfs/dbraw/zinc/26/71/95/569267195.db2.gz LAIVNCLZGAUMQY-SFHVURJKSA-N 0 3 414.933 3.551 50 0 HHAAHN Cn1nc2nc(NCCN3CCCCC3)nc(-c3ccc(C(F)(F)F)cc3)c2c1N ZINC000037357924 569276247 /nfs/dbraw/zinc/27/62/47/569276247.db2.gz IWOHJQYMYSDGFP-UHFFFAOYSA-N 0 3 419.455 3.529 50 0 HHAAHN CN(C)C[C@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000007817523 569312840 /nfs/dbraw/zinc/31/28/40/569312840.db2.gz POWMXYORZGMPOL-NRFANRHFSA-N 0 3 413.949 3.611 50 0 HHAAHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000253369601 569364796 /nfs/dbraw/zinc/36/47/96/569364796.db2.gz FLBPPPZJVZBPKC-DHIUTWEWSA-N 0 3 423.557 3.691 50 0 HHAAHN CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OC)cc1 ZINC000002418251 569397595 /nfs/dbraw/zinc/39/75/95/569397595.db2.gz PAKVMWRXCZGXBR-NRFANRHFSA-N 0 3 406.482 3.689 50 0 HHAAHN CN(CCC(=O)N1CCN(c2ccccn2)CC1)C(c1ccccc1)c1ccccc1 ZINC000040062845 571147619 /nfs/dbraw/zinc/14/76/19/571147619.db2.gz YISROVWITLKXQC-UHFFFAOYSA-N 0 3 414.553 3.842 50 0 HHAAHN CCN1C[C@@H](CN(C)C(=O)C2CCN(Cc3ccccc3)CC2)Oc2ccccc21 ZINC000040150362 571198801 /nfs/dbraw/zinc/19/88/01/571198801.db2.gz KAXPYYWCGNHXRO-JOCHJYFZSA-N 0 3 407.558 3.645 50 0 HHAAHN COCCN(C[C@H]1CN(Cc2ccccn2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000245328880 571225394 /nfs/dbraw/zinc/22/53/94/571225394.db2.gz QNFNKYWEFPREMI-OFNKIYASSA-N 0 3 413.537 3.567 50 0 HHAAHN Cc1ccc(C(=O)N[C@H](C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)C(C)C)cc1 ZINC000009517096 571265282 /nfs/dbraw/zinc/26/52/82/571265282.db2.gz KDGFIOQNZNVWRZ-JRFVFWCSSA-N 0 3 419.569 3.892 50 0 HHAAHN CCN(CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@@H]1c1ccc(C)cc1 ZINC000010233197 571297709 /nfs/dbraw/zinc/29/77/09/571297709.db2.gz DTEAIQNYUULYBN-QFIPXVFZSA-N 0 3 420.509 3.997 50 0 HHAAHN COC(=O)c1ccc(CN2CCN([C@@H](C)CCc3ccc(OC)cc3)CCC2=O)cc1 ZINC000011909245 962207172 /nfs/dbraw/zinc/20/71/72/962207172.db2.gz IYDGCZIUUHIJQP-IBGZPJMESA-N 0 3 424.541 3.537 50 0 HHAAHN CC(C)CC[C@]1(C2CCN(Cc3ccc(OC(C)C)cc3)CC2)NC(=O)NC1=O ZINC000012209590 962253322 /nfs/dbraw/zinc/25/33/22/962253322.db2.gz FAFBKSGJHLLEPC-HSZRJFAPSA-N 0 3 401.551 3.700 50 0 HHAAHN CSc1ccc(CN2CCC([C@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)cc1 ZINC000012244353 962257128 /nfs/dbraw/zinc/25/71/28/962257128.db2.gz LAPNXSBFDOUNRS-DEOSSOPVSA-N 0 3 423.582 3.832 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(NC(C)=O)cc3)c(C)c2)CC1 ZINC000026909578 964721385 /nfs/dbraw/zinc/72/13/85/964721385.db2.gz CVKKKZRVMDHOCS-KPKJPENVSA-N 0 3 406.530 3.747 50 0 HHAAHN Cc1c(CN2CCC[C@@H](COc3ccccc3C(=O)N3CCCCC3)C2)cnn1C ZINC000169774379 970478373 /nfs/dbraw/zinc/47/83/73/970478373.db2.gz SHYTZDVPQMAVLJ-HXUWFJFHSA-N 0 3 410.562 3.646 50 0 HHAAHN CCOc1ccccc1CN1CCC2(CC1)C[C@H](Cc1nc(COC)no1)CCO2 ZINC000169787355 970482129 /nfs/dbraw/zinc/48/21/29/970482129.db2.gz BEEJQDHXOQCMJR-SFHVURJKSA-N 0 3 415.534 3.619 50 0 HHAAHN COc1ccc([C@H](NCC(=O)N2CCC(OCc3ccccc3)CC2)C2CC2)cc1 ZINC000540592535 1011249894 /nfs/dbraw/zinc/24/98/94/1011249894.db2.gz PKLIIQNWNBNZPW-RUZDIDTESA-N 0 3 408.542 3.944 50 0 HHAAHN CCN(CC)[C@@H](Cn1cnc2c3c(sc2c1=O)SCC(=O)N3)c1ccccc1 ZINC000032624542 520839813 /nfs/dbraw/zinc/83/98/13/520839813.db2.gz BKCQFXAIASCRGX-AWEZNQCLSA-N 0 3 414.556 3.585 50 0 HHAAHN COc1ccc(CCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1OC ZINC000044851764 523934367 /nfs/dbraw/zinc/93/43/67/523934367.db2.gz QQHBJESKQUWFEA-UHFFFAOYSA-N 0 3 414.521 3.804 50 0 HHAAHN COc1ccc(Cl)cc1CS(=O)(=O)C(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000032929846 524211166 /nfs/dbraw/zinc/21/11/66/524211166.db2.gz KKURHEADHOMXPU-UMPJEAMMSA-N 0 3 401.956 3.593 50 0 HHAAHN Cc1cccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c1 ZINC000020599109 524408670 /nfs/dbraw/zinc/40/86/70/524408670.db2.gz OFRZCWUFJFPXLL-HXUWFJFHSA-N 0 3 421.545 3.755 50 0 HHAAHN Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@@H](CN(C)C)[C@@H](O)c1ccccc1 ZINC000043494843 525061115 /nfs/dbraw/zinc/06/11/15/525061115.db2.gz UJROFVZGGBHNRR-REWPJTCUSA-N 0 3 410.562 3.628 50 0 HHAAHN CSc1ccccc1NC(=O)C(=O)NCC1CCN(Cc2cc(C)oc2C)CC1 ZINC000043941118 526165865 /nfs/dbraw/zinc/16/58/65/526165865.db2.gz PDOQVEVXDGOUKR-UHFFFAOYSA-N 0 3 415.559 3.585 50 0 HHAAHN Cc1ccc(C)c(-c2n[nH]cc2CN2CCN(CCc3ccccc3)[C@H](CCO)C2)c1 ZINC000043000163 526256490 /nfs/dbraw/zinc/25/64/90/526256490.db2.gz CIAVUDHLEUWCPN-XMMPIXPASA-N 0 3 418.585 3.805 50 0 HHAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032899698 526579027 /nfs/dbraw/zinc/57/90/27/526579027.db2.gz OANSZYURNYWIGX-JTHBVZDNSA-N 0 3 423.532 3.631 50 0 HHAAHN O=C(Nc1ccc(Br)cc1Br)NC1CCN(C2CC2)CC1 ZINC000043317007 527158195 /nfs/dbraw/zinc/15/81/95/527158195.db2.gz JGYIHMDWRGAGRE-UHFFFAOYSA-N 0 3 417.145 3.960 50 0 HHAAHN CC(C)CN1CCN(c2cccc3c2C(=O)N(Cc2ccccc2Cl)C3=O)CC1 ZINC000011998166 535105292 /nfs/dbraw/zinc/10/52/92/535105292.db2.gz ZDXQBRRGANCBSO-UHFFFAOYSA-N 0 3 411.933 3.914 50 0 HHAAHN CCOc1ccc([C@@H](O)Cn2c3ccccc3n(CCN3CCCCC3)c2=N)cc1 ZINC000000845917 557099594 /nfs/dbraw/zinc/09/95/94/557099594.db2.gz MKHUUMRWZZFAQU-QHCPKHFHSA-N 0 3 408.546 3.540 50 0 HHAAHN O=C(C1CC1)N1C[C@@H](CN2CCN(c3ccccc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000034698397 557381004 /nfs/dbraw/zinc/38/10/04/557381004.db2.gz CGNJPKMWWWMXMP-ZJSXRUAMSA-N 0 3 407.533 3.600 50 0 HHAAHN O=C(NCCN1CCCC1)[C@@H]1CCCN(c2nc3ccccc3n2C2CCCC2)C1 ZINC000034906691 557473801 /nfs/dbraw/zinc/47/38/01/557473801.db2.gz XUFQJCOYFNGHRY-LJQANCHMSA-N 0 3 409.578 3.580 50 0 HHAAHN COc1cc(CNCc2cccs2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000007540361 557746025 /nfs/dbraw/zinc/74/60/25/557746025.db2.gz YLHCQBSPNGUBMW-UHFFFAOYSA-N 0 3 421.526 3.910 50 0 HHAAHN CN(C)[C@H]1CCN(C(=O)c2csc3nc(-c4cccc(C(F)(F)F)c4)cn23)C1 ZINC000011753658 558272575 /nfs/dbraw/zinc/27/25/75/558272575.db2.gz GCUWPQFDUKLSGJ-AWEZNQCLSA-N 0 3 408.449 3.858 50 0 HHAAHN O=C(Cc1ccsc1)NC[C@@H]1CCC2(CCN(Cc3ccccc3F)CC2)O1 ZINC000011881286 558295032 /nfs/dbraw/zinc/29/50/32/558295032.db2.gz JMBYWMXXZOBRTK-IBGZPJMESA-N 0 3 402.535 3.760 50 0 HHAAHN CN1CCC(C(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)(c2ccccc2)CC1 ZINC000011954600 558303359 /nfs/dbraw/zinc/30/33/59/558303359.db2.gz VUOVPTGPSWPJRB-QFIPXVFZSA-N 0 3 409.549 3.570 50 0 HHAAHN C[C@H](NC(=O)CCN1Cc2ccccc2O[C@H](C)C1)c1cnn(-c2ccccc2)c1 ZINC000012028129 558310378 /nfs/dbraw/zinc/31/03/78/558310378.db2.gz LEVBHEHWBXAUTO-MOPGFXCFSA-N 0 3 404.514 3.723 50 0 HHAAHN CC[C@H]1CCCCN1Cc1ccc(C(=O)NCc2nc3ccccc3s2)c(=O)[nH]1 ZINC000012037961 558312407 /nfs/dbraw/zinc/31/24/07/558312407.db2.gz DJCLUIPQOMNOFA-INIZCTEOSA-N 0 3 410.543 3.679 50 0 HHAAHN CCC(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3ccc(OC)c(O)c3)CC2)[C@H]1OC ZINC000012053499 558314898 /nfs/dbraw/zinc/31/48/98/558314898.db2.gz SOEJSBUSRGXDOP-RPWUZVMVSA-N 0 3 424.541 3.531 50 0 HHAAHN Cc1ccc(-n2cc(CNCCSc3nncn3C)c(-c3ccc(F)cc3)n2)cc1 ZINC000012056333 558315857 /nfs/dbraw/zinc/31/58/57/558315857.db2.gz ZDOPDUAKKOSSDJ-UHFFFAOYSA-N 0 3 422.533 3.997 50 0 HHAAHN CC(C)c1ccc(CN2CCC[C@@]3(CCN(C(=O)CCN4CCCC4=O)C3)C2)cc1 ZINC000012058632 558316836 /nfs/dbraw/zinc/31/68/36/558316836.db2.gz CWSRJSIHKQQKIE-RUZDIDTESA-N 0 3 411.590 3.637 50 0 HHAAHN Cc1ccc(NC(=O)CC2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1 ZINC000020103511 558332514 /nfs/dbraw/zinc/33/25/14/558332514.db2.gz PZFVRRFHBUNNSB-OAQYLSRUSA-N 0 3 411.465 3.856 50 0 HHAAHN Cc1ccc(NC(=O)CC2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1 ZINC000020103514 558332840 /nfs/dbraw/zinc/33/28/40/558332840.db2.gz PZFVRRFHBUNNSB-NRFANRHFSA-N 0 3 411.465 3.856 50 0 HHAAHN COC(=O)c1ccc(CN2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)cc1 ZINC000020117833 558336813 /nfs/dbraw/zinc/33/68/13/558336813.db2.gz QLFGVQRIYTUAGX-HSZRJFAPSA-N 0 3 407.558 3.568 50 0 HHAAHN COc1ccc(-c2n[nH]cc2CN2CCC(=O)N(Cc3cccc(C)c3)CC2)cc1 ZINC000012246451 558361618 /nfs/dbraw/zinc/36/16/18/558361618.db2.gz NLFNUAYWIHJGHM-UHFFFAOYSA-N 0 3 404.514 3.628 50 0 HHAAHN COc1cc(-c2nc(CN3CCCC[C@H]3CCN3CCOCC3)c(C)o2)ccc1F ZINC000020452191 558366348 /nfs/dbraw/zinc/36/63/48/558366348.db2.gz FCPCYMRLYAZMKP-IBGZPJMESA-N 0 3 417.525 3.875 50 0 HHAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2nc3c(s2)CCCC3)CC1 ZINC000012313847 558377271 /nfs/dbraw/zinc/37/72/71/558377271.db2.gz OWMBFJWUVCBSJP-LJQANCHMSA-N 0 3 418.651 3.615 50 0 HHAAHN COc1ccccc1/C=C/CN1CCC[C@@H](CNC(=O)c2[nH]nc3ccccc32)C1 ZINC000012316991 558380217 /nfs/dbraw/zinc/38/02/17/558380217.db2.gz NGSVQXLDIUZZGZ-HKMNZKMDSA-N 0 3 404.514 3.727 50 0 HHAAHN O=C(CCc1n[nH]c2c1CCCC2)N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000012317242 558380388 /nfs/dbraw/zinc/38/03/88/558380388.db2.gz GCLQEYLVXUWEGL-SFHVURJKSA-N 0 3 400.954 3.655 50 0 HHAAHN Clc1cccc(N2CCN([C@@H]3CCCN(Cc4ccc5nonc5c4)C3)CC2)c1 ZINC000020534143 558385624 /nfs/dbraw/zinc/38/56/24/558385624.db2.gz YFPTWHYSRQMSGA-HXUWFJFHSA-N 0 3 411.937 3.663 50 0 HHAAHN CCN(CC)CC(=O)N1CCc2ccc(NC(=O)C3(c4ccccc4)CC3)cc2C1 ZINC000012373136 558390667 /nfs/dbraw/zinc/39/06/67/558390667.db2.gz RFPGYQCDLSVDRB-UHFFFAOYSA-N 0 3 405.542 3.583 50 0 HHAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)Cn2ccc(C)n2)CC1 ZINC000012386543 558395380 /nfs/dbraw/zinc/39/53/80/558395380.db2.gz JSYVDGAGBZEQPI-UHFFFAOYSA-N 0 3 412.578 3.597 50 0 HHAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)CSc1ccncc1 ZINC000012434833 558408572 /nfs/dbraw/zinc/40/85/72/558408572.db2.gz XAMNLKDTWJCFAK-UHFFFAOYSA-N 0 3 401.551 3.726 50 0 HHAAHN Cc1cc(C)cc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)c1 ZINC000021795213 558449598 /nfs/dbraw/zinc/44/95/98/558449598.db2.gz SJYAAPPAOFZVPA-UHFFFAOYSA-N 0 3 408.550 3.746 50 0 HHAAHN COc1ccccc1CCN1CCC(CN(C)C(=O)c2cccnc2SC)CC1 ZINC000012752223 558459386 /nfs/dbraw/zinc/45/93/86/558459386.db2.gz QMQCYRQQPPEINB-UHFFFAOYSA-N 0 3 413.587 3.839 50 0 HHAAHN CCOc1ccccc1N1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000005610778 558484928 /nfs/dbraw/zinc/48/49/28/558484928.db2.gz GDBXKKDQHWDTFN-UHFFFAOYSA-N 0 3 407.558 3.646 50 0 HHAAHN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000012975451 558491007 /nfs/dbraw/zinc/49/10/07/558491007.db2.gz YKCILLURJAUZGZ-NHCUHLMSSA-N 0 3 409.555 3.965 50 0 HHAAHN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000012975453 558491031 /nfs/dbraw/zinc/49/10/31/558491031.db2.gz YKCILLURJAUZGZ-SFTDATJTSA-N 0 3 409.555 3.965 50 0 HHAAHN C[C@H](CC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)NC(=O)c1ccccc1 ZINC000022681445 558504345 /nfs/dbraw/zinc/50/43/45/558504345.db2.gz ZCKYHIMSUCITGF-QUCCMNQESA-N 0 3 413.587 3.846 50 0 HHAAHN Cc1nc2sccn2c1CN1CCC[C@H](N2CCN(c3ccccc3C)CC2)C1 ZINC000022913822 558520870 /nfs/dbraw/zinc/52/08/70/558520870.db2.gz INBJZXFSTMIDRY-FQEVSTJZSA-N 0 3 409.603 3.799 50 0 HHAAHN Cc1ccc(-c2cc(NC(=O)CN3CCCN(Cc4ccccc4)CC3)on2)cc1 ZINC000023043471 558531696 /nfs/dbraw/zinc/53/16/96/558531696.db2.gz PNEOULYHRYPHIE-UHFFFAOYSA-N 0 3 404.514 3.796 50 0 HHAAHN OCC[C@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)CCN1C1CCCCC1 ZINC000023358109 558551408 /nfs/dbraw/zinc/55/14/08/558551408.db2.gz QWEXDTVSFOLJSD-FQEVSTJZSA-N 0 3 402.970 3.727 50 0 HHAAHN Cc1ccc(NC(=O)CC2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)c(F)c1 ZINC000023382299 558555689 /nfs/dbraw/zinc/55/56/89/558555689.db2.gz KBCHKCKRUCNBKI-FOIQADDNSA-N 0 3 422.460 3.579 50 0 HHAAHN O=C(c1cc2nccc(-c3cc(Cl)cc(Cl)c3)n2n1)N1CCN2CCC[C@@H]2C1 ZINC000013644670 558556216 /nfs/dbraw/zinc/55/62/16/558556216.db2.gz RAPUXRKISQDNHN-MRXNPFEDSA-N 0 3 416.312 3.623 50 0 HHAAHN COCCCN1C(=O)C(CC(=O)Nc2cc(C)cc(C)c2)n2c3ccccc3nc21 ZINC000023411210 558557376 /nfs/dbraw/zinc/55/73/76/558557376.db2.gz OBFBSDMDGRDHBG-HXUWFJFHSA-N 0 3 406.486 3.606 50 0 HHAAHN O=C(CC1C(=O)N(C2CCCC2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 ZINC000023411266 558557388 /nfs/dbraw/zinc/55/73/88/558557388.db2.gz DMJMMRVJEMDKIW-GOSISDBHSA-N 0 3 418.453 3.624 50 0 HHAAHN CCc1ccc([C@H](NCC(=O)NCC(=O)Nc2cc(C)ccc2OC)C(C)C)cc1 ZINC000014167832 558626945 /nfs/dbraw/zinc/62/69/45/558626945.db2.gz NUIVMNOPKNFGCR-XMMPIXPASA-N 0 3 411.546 3.608 50 0 HHAAHN CN(C)[C@@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 ZINC000014184594 558630041 /nfs/dbraw/zinc/63/00/41/558630041.db2.gz ACBHBWUUWJSKDE-IBGZPJMESA-N 0 3 420.479 3.736 50 0 HHAAHN CCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3cccc(OC)c3)CC2)C1=O ZINC000014740942 558667001 /nfs/dbraw/zinc/66/70/01/558667001.db2.gz OJZDISCITNRCSU-UHFFFAOYSA-N 0 3 421.541 3.557 50 0 HHAAHN CC(C)c1ccc(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)cc1 ZINC000014882298 558676482 /nfs/dbraw/zinc/67/64/82/558676482.db2.gz MUDAPYIUTYQDKX-UHFFFAOYSA-N 0 3 423.605 3.699 50 0 HHAAHN O=C1CC[C@H](CCNCc2cc3c(cc2Cl)OCO3)N1CCc1ccccc1 ZINC000014993512 558695247 /nfs/dbraw/zinc/69/52/47/558695247.db2.gz KOYGLJGVSMRCAA-GOSISDBHSA-N 0 3 400.906 3.782 50 0 HHAAHN Cc1cc(CN[C@H]2CCc3c(sc4ncn(CCc5ccccc5)c(=O)c34)C2)on1 ZINC000014998353 558696838 /nfs/dbraw/zinc/69/68/38/558696838.db2.gz GRVSHRHBDCZMCJ-KRWDZBQOSA-N 0 3 420.538 3.644 50 0 HHAAHN O=C([C@@H]1CCCN(Cc2ccco2)C1)N1CCc2[nH]nc(-c3ccccc3F)c2C1 ZINC000015074203 558715041 /nfs/dbraw/zinc/71/50/41/558715041.db2.gz XIFPQWJVHHULAQ-MRXNPFEDSA-N 0 3 408.477 3.606 50 0 HHAAHN COc1cc(CNC[C@H](O)Cn2cnc3cc(C)c(C)cc32)c(SC)cc1OC ZINC000072294570 558742684 /nfs/dbraw/zinc/74/26/84/558742684.db2.gz GUOKYGKUIASUDW-KRWDZBQOSA-N 0 3 415.559 3.543 50 0 HHAAHN COc1ccc(NC(=O)[C@@H]2C[C@H]3CCCN3[C@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000015972531 558764562 /nfs/dbraw/zinc/76/45/62/558764562.db2.gz YVUFEZLYZUOAFD-VWQFJMCTSA-N 0 3 405.498 3.582 50 0 HHAAHN Cc1nn(C)cc1[C@H](C)NC(=O)C1(N(C)Cc2ccccc2)Cc2ccccc2C1 ZINC000039461407 558821443 /nfs/dbraw/zinc/82/14/43/558821443.db2.gz QPZQNCUZKRYCRZ-SFHVURJKSA-N 0 3 402.542 3.575 50 0 HHAAHN CN(C(=O)c1cc(=O)[nH]c2ccccc21)[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000039479096 558821658 /nfs/dbraw/zinc/82/16/58/558821658.db2.gz CMSJZCMXSZDGJF-FQEVSTJZSA-N 0 3 403.526 3.697 50 0 HHAAHN CCCN1CCN(c2ncnc3sc(C(=O)NCc4ccccc4C)c(C)c32)CC1 ZINC000033048483 558886026 /nfs/dbraw/zinc/88/60/26/558886026.db2.gz HKIUVEOCFIBKNK-UHFFFAOYSA-N 0 3 423.586 3.770 50 0 HHAAHN CC(C)[C@H](CNC(=O)Nc1cccc(-c2nncn2C)c1)N1CCc2ccccc2C1 ZINC000058161638 558905614 /nfs/dbraw/zinc/90/56/14/558905614.db2.gz VMGKZYVNGNUYLS-QFIPXVFZSA-N 0 3 418.545 3.687 50 0 HHAAHN CCN(CCNC(=O)c1ccc(Oc2cccc(Br)c2)nc1)C1CC1 ZINC000058264298 558915313 /nfs/dbraw/zinc/91/53/13/558915313.db2.gz ARTHODPRMMURBB-UHFFFAOYSA-N 0 3 404.308 3.851 50 0 HHAAHN CCN(CC)[C@H](CNC(=O)N1CCc2cc(OC)c(OC)cc2C1)c1ccccc1 ZINC000059264545 558933147 /nfs/dbraw/zinc/93/31/47/558933147.db2.gz AXQRNROXNKMRNK-OAQYLSRUSA-N 0 3 411.546 3.855 50 0 HHAAHN O=C(c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F)N1CC[C@@H](N2CCCC2)C1 ZINC000060374127 558942153 /nfs/dbraw/zinc/94/21/53/558942153.db2.gz WRGSFMPXFCZKEE-OAHLLOKOSA-N 0 3 412.843 3.855 50 0 HHAAHN CCN(Cc1ccccc1)Cc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000064120740 558962212 /nfs/dbraw/zinc/96/22/12/558962212.db2.gz JSTLSEUSNGTAHI-UHFFFAOYSA-N 0 3 419.569 3.952 50 0 HHAAHN O=C(NCc1nc(-c2ccccc2Cl)no1)C1CCN(Cc2ccccc2)CC1 ZINC000067604573 558988625 /nfs/dbraw/zinc/98/86/25/558988625.db2.gz ASNPJELJLHWSEC-UHFFFAOYSA-N 0 3 410.905 3.918 50 0 HHAAHN COc1cccc(CN2CC3(CC2=O)CCN(CCC(F)(F)C(F)F)CC3)c1 ZINC000095524694 559085971 /nfs/dbraw/zinc/08/59/71/559085971.db2.gz RCHITIKSSNUCFX-UHFFFAOYSA-N 0 3 402.432 3.800 50 0 HHAAHN COc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000011614433 559113657 /nfs/dbraw/zinc/11/36/57/559113657.db2.gz NSQWYRHSBKWNDT-NRFANRHFSA-N 0 3 406.482 3.607 50 0 HHAAHN CCN(CC)CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccccc1OC ZINC000011614772 559114588 /nfs/dbraw/zinc/11/45/88/559114588.db2.gz GRCDMNNSKRFJCY-JOCHJYFZSA-N 0 3 420.509 3.997 50 0 HHAAHN COc1ccc(COC[C@H](O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000247894644 559190009 /nfs/dbraw/zinc/19/00/09/559190009.db2.gz OALJIVLWVZBTOD-IRLDBZIGSA-N 0 3 413.514 3.571 50 0 HHAAHN CN(Cc1cccnc1)C[C@H]1CCN(CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000252488785 559277601 /nfs/dbraw/zinc/27/76/01/559277601.db2.gz IYXKAUUZZZYFJN-HXUWFJFHSA-N 0 3 404.599 3.871 50 0 HHAAHN COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1ccccc1 ZINC000101039780 560767067 /nfs/dbraw/zinc/76/70/67/560767067.db2.gz DVRPZJPCGJGFTH-BDTNDASRSA-N 0 3 418.424 3.885 50 0 HHAAHN COCCN1C(=O)N(C)C(=O)C12CCN(Cc1ccc(-c3ccccc3C)cc1)CC2 ZINC000014748904 560771724 /nfs/dbraw/zinc/77/17/24/560771724.db2.gz HSVQBCCBQFMTKK-UHFFFAOYSA-N 0 3 421.541 3.537 50 0 HHAAHN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c1 ZINC000018156169 560780255 /nfs/dbraw/zinc/78/02/55/560780255.db2.gz XIRGTAFIESYEAK-BDTNDASRSA-N 0 3 418.424 3.885 50 0 HHAAHN COc1ccc(-n2nc(C)c3c2NC(=O)CC3C(=O)c2c(OC)cccc2OC)cc1 ZINC000046057812 568426366 /nfs/dbraw/zinc/42/63/66/568426366.db2.gz UWNRUXWRVMOVNW-INIZCTEOSA-N 0 3 421.453 3.515 50 0 HHAAHN CCN(CC)[C@@H](CNC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccsc1 ZINC000048311923 568437169 /nfs/dbraw/zinc/43/71/69/568437169.db2.gz KQWFCFCVAAEZMY-GUYCJALGSA-N 0 3 402.520 3.672 50 0 HHAAHN CCN1CCN(Cc2ccc(CNC(=O)CCOc3cccc(C)c3C)cc2)CC1 ZINC000048302364 568437732 /nfs/dbraw/zinc/43/77/32/568437732.db2.gz UAORDKGSEFXCIU-UHFFFAOYSA-N 0 3 409.574 3.526 50 0 HHAAHN COc1cccc(CN[C@@H]2CCN(c3ccc(C(=O)Nc4ccccc4)cn3)C2)c1 ZINC000049421015 568450363 /nfs/dbraw/zinc/45/03/63/568450363.db2.gz SVEVPVYAVXFSRR-OAQYLSRUSA-N 0 3 402.498 3.711 50 0 HHAAHN COc1cccc(CN[C@H]2CCN(c3ccc(C(=O)Nc4ccccc4)cn3)C2)c1 ZINC000049421016 568450371 /nfs/dbraw/zinc/45/03/71/568450371.db2.gz SVEVPVYAVXFSRR-NRFANRHFSA-N 0 3 402.498 3.711 50 0 HHAAHN O=C(NC[C@H]1CCCO1)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000000778768 568473782 /nfs/dbraw/zinc/47/37/82/568473782.db2.gz FGULNZFEEJIVCD-XMMPIXPASA-N 0 3 408.542 3.773 50 0 HHAAHN O=C(NC[C@@H]1CCCO1)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000000778771 568473806 /nfs/dbraw/zinc/47/38/06/568473806.db2.gz ALMCLYYSAPXNEO-DEOSSOPVSA-N 0 3 408.542 3.773 50 0 HHAAHN CCN1CCN(C(=O)C2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)CC1 ZINC000000785867 568476974 /nfs/dbraw/zinc/47/69/74/568476974.db2.gz WPXCGDFTANTARP-UHFFFAOYSA-N 0 3 421.585 3.642 50 0 HHAAHN Cn1ccnc1C[C@@H]1CCCN(Cc2nnc(-c3ccc(Br)cc3)o2)C1 ZINC000095427833 568608069 /nfs/dbraw/zinc/60/80/69/568608069.db2.gz UTIMYIVIWPWLCK-AWEZNQCLSA-N 0 3 416.323 3.687 50 0 HHAAHN CN(C)CCN(C(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1cccc(Cl)c1Cl ZINC000225616556 568657493 /nfs/dbraw/zinc/65/74/93/568657493.db2.gz MJPQPMIVVXTXMT-HNNXBMFYSA-N 0 3 412.361 3.537 50 0 HHAAHN CCOc1ccc(C[C@H](CNCc2cn(C)nc2-c2cccs2)C(=O)OC)cc1 ZINC000095997165 568679091 /nfs/dbraw/zinc/67/90/91/568679091.db2.gz ZEDKAKCTGCIFSK-QGZVFWFLSA-N 0 3 413.543 3.669 50 0 HHAAHN C[C@@H](c1ccccc1)N(Cc1nc(C(=O)NCCN(C)C)co1)Cc1ccccc1F ZINC000096280147 568717801 /nfs/dbraw/zinc/71/78/01/568717801.db2.gz XKWRSRCZQRCMAR-SFHVURJKSA-N 0 3 424.520 3.869 50 0 HHAAHN C[C@@H]1CCCCN1C[C@@H](O)COc1ccc(Br)cc1Br ZINC000012420321 568720362 /nfs/dbraw/zinc/72/03/62/568720362.db2.gz MHLQXVOWVVZPPS-DGCLKSJQSA-N 0 3 407.146 3.826 50 0 HHAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000238900784 568727416 /nfs/dbraw/zinc/72/74/16/568727416.db2.gz JYJQMKATQMDTHU-YPAWHYETSA-N 0 3 400.434 3.746 50 0 HHAAHN C[C@@H]1CN(Cc2ccccc2)CC[C@]1(Nc1ccc(Br)cc1)C(N)=O ZINC000096562185 568760287 /nfs/dbraw/zinc/76/02/87/568760287.db2.gz LSKQHNKOLJTEPH-FOIQADDNSA-N 0 3 402.336 3.627 50 0 HHAAHN CN(C)CCNCc1nn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000261491821 568820234 /nfs/dbraw/zinc/82/02/34/568820234.db2.gz LDWIEOHSJPCJJK-UHFFFAOYSA-N 0 3 404.345 3.951 50 0 HHAAHN CCOC(=O)C1C(CN(CC)Cc2ccccc2)=NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000057415599 568833939 /nfs/dbraw/zinc/83/39/39/568833939.db2.gz PKNGLIIRYVTMQO-OAQYLSRUSA-N 0 3 411.477 3.519 50 0 HHAAHN CN(C)[C@H](CNc1ncc(Cl)c(NC[C@H](c2ccco2)N(C)C)n1)c1ccco1 ZINC000083847776 568918544 /nfs/dbraw/zinc/91/85/44/568918544.db2.gz UDRKVVRIGCOIDX-HZPDHXFCSA-N 0 3 418.929 3.746 50 0 HHAAHN CN(CCCNC(=O)C1CCN(c2nc3cccnc3s2)CC1)Cc1ccccc1 ZINC000015770192 568997553 /nfs/dbraw/zinc/99/75/53/568997553.db2.gz FJRPBLCTVJHFGK-UHFFFAOYSA-N 0 3 423.586 3.546 50 0 HHAAHN Cc1cc(C)n(-c2cccc(CN3CCN(Cc4ccccc4C)[C@H](CCO)C3)c2)n1 ZINC000104391101 569008526 /nfs/dbraw/zinc/00/85/26/569008526.db2.gz BTYXTQTXDHONPF-AREMUKBSSA-N 0 3 418.585 3.866 50 0 HHAAHN COc1ccc(NC(=O)[C@@H]2C[C@@H](C(C)C)N[C@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000016033267 569027934 /nfs/dbraw/zinc/02/79/34/569027934.db2.gz VOQLNPKKMQJCHV-MZLICYQSSA-N 0 3 407.514 3.732 50 0 HHAAHN Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NCCN4CCC(C)CC4)C3)nn2)cc1 ZINC000035398132 569035062 /nfs/dbraw/zinc/03/50/62/569035062.db2.gz XCSMUPDRZYECPG-QFIPXVFZSA-N 0 3 421.589 3.517 50 0 HHAAHN COc1ccc(CNC(=O)C2CCN(Cc3cn(C)c4ccc(OC)cc34)CC2)cc1 ZINC000035504128 569040765 /nfs/dbraw/zinc/04/07/65/569040765.db2.gz ZMUWHQFCHXREEW-UHFFFAOYSA-N 0 3 421.541 3.724 50 0 HHAAHN CCc1c(-c2ccc(F)cc2)nn2c1NC(=O)C2CC(=O)Nc1cccc(C(C)=O)c1 ZINC000090594532 569041654 /nfs/dbraw/zinc/04/16/54/569041654.db2.gz RHFRGCNFZIJTQT-LJQANCHMSA-N 0 3 420.444 3.976 50 0 HHAAHN CCc1c(-c2ccc(F)cc2)nn2c1NC(=O)C2CC(=O)Nc1cccc(C(C)=O)c1 ZINC000090594520 569041683 /nfs/dbraw/zinc/04/16/83/569041683.db2.gz RHFRGCNFZIJTQT-IBGZPJMESA-N 0 3 420.444 3.976 50 0 HHAAHN COc1ccc(N2OC3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3[C@@H]2c2ccccc2)cc1 ZINC000239038588 569053962 /nfs/dbraw/zinc/05/39/62/569053962.db2.gz DMTLHMBJHHIBLA-FKBYEOEOSA-N 0 3 418.424 3.885 50 0 HHAAHN CCCCN(C[C@@H](O)COc1cccc(C)c1)C[C@@H](O)COc1cccc(C)c1 ZINC000006551100 569065375 /nfs/dbraw/zinc/06/53/75/569065375.db2.gz LGFPCLMEHARZNY-FGZHOGPDSA-N 0 3 401.547 3.585 50 0 HHAAHN CCCCN(C[C@H](O)COc1cccc(C)c1)C[C@H](O)COc1cccc(C)c1 ZINC000006551095 569065402 /nfs/dbraw/zinc/06/54/02/569065402.db2.gz LGFPCLMEHARZNY-VXKWHMMOSA-N 0 3 401.547 3.585 50 0 HHAAHN CCC(CC)N1CCN(C(=O)c2cccc3[nH]cc(CN4CCSCC4)c32)CC1 ZINC000065135864 569184081 /nfs/dbraw/zinc/18/40/81/569184081.db2.gz LBEZUYIGMIBZFO-UHFFFAOYSA-N 0 3 414.619 3.663 50 0 HHAAHN Cc1ccc2cc(CCC(=O)NCCCN3CCc4ccccc4C3)c(=O)[nH]c2c1 ZINC000065245613 569205358 /nfs/dbraw/zinc/20/53/58/569205358.db2.gz VPJMJMSHVNQSPK-UHFFFAOYSA-N 0 3 403.526 3.746 50 0 HHAAHN COc1ccccc1-c1nc(-c2ccc3c(c2)nnn3CCN2CCCCC2)no1 ZINC000065255011 569207659 /nfs/dbraw/zinc/20/76/59/569207659.db2.gz XKPLZYXCKYKJLY-UHFFFAOYSA-N 0 3 404.474 3.643 50 0 HHAAHN COc1ccc(NC(=O)c2ccc(N3CCN[C@@H](c4ccccc4)C3)nc2)cc1OC ZINC000065256093 569208297 /nfs/dbraw/zinc/20/82/97/569208297.db2.gz NIQUEUYBZRQVQR-HXUWFJFHSA-N 0 3 418.497 3.502 50 0 HHAAHN COc1ccc(NC(=O)c2cccc(N3CCN[C@H](c4ccccc4)C3)n2)c(OC)c1 ZINC000065256291 569208407 /nfs/dbraw/zinc/20/84/07/569208407.db2.gz DOKDZILMYGRSAQ-NRFANRHFSA-N 0 3 418.497 3.502 50 0 HHAAHN O=C(Cc1c2[nH]cccc-2c(=O)n1-c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000065307546 569219726 /nfs/dbraw/zinc/21/97/26/569219726.db2.gz HZANBXOVZBZEFZ-QFIPXVFZSA-N 0 3 418.541 3.650 50 0 HHAAHN COc1ccc(N2C[C@@H](C(=O)Nc3cc(CN4CCCC4)ccc3C)CC2=O)cc1 ZINC000089644344 569261629 /nfs/dbraw/zinc/26/16/29/569261629.db2.gz QYKWKVQGUPUHQV-IBGZPJMESA-N 0 3 407.514 3.591 50 0 HHAAHN Nc1c2c(nn1-c1ccccc1)nc(NCCN1CCCC1)nc2-c1cccc(F)c1 ZINC000037359129 569277620 /nfs/dbraw/zinc/27/76/20/569277620.db2.gz HYLRBELNQVSVSW-UHFFFAOYSA-N 0 3 417.492 3.712 50 0 HHAAHN COc1cc(CN2CCC(c3nc(C)ccc3C(=O)NC(C)C)CC2)cc(OC)c1 ZINC000037554291 569306156 /nfs/dbraw/zinc/30/61/56/569306156.db2.gz FFEGLRVTOCZYEI-UHFFFAOYSA-N 0 3 411.546 3.925 50 0 HHAAHN CC(C)CN1CCN([C@H]2CCOC3(CCN(C(=O)CC4CCCCC4)CC3)C2)CC1 ZINC000581819805 569320794 /nfs/dbraw/zinc/32/07/94/569320794.db2.gz MBJGDVRVWZDVGN-QHCPKHFHSA-N 0 3 419.654 3.771 50 0 HHAAHN Cc1cc(NC(=O)CN[C@@H]2CCN(C)[C@@H]2c2ccccc2)ccc1Br ZINC000253415744 569367138 /nfs/dbraw/zinc/36/71/38/569367138.db2.gz RMAZQVBCSWZSOJ-UYAOXDASSA-N 0 3 402.336 3.731 50 0 HHAAHN COc1cc(F)ccc1CN1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000019300748 569415780 /nfs/dbraw/zinc/41/57/80/569415780.db2.gz MHFMUTGVUNGLFS-QFIPXVFZSA-N 0 3 401.501 3.760 50 0 HHAAHN CCN1CCN(Cc2ccc(CNC(=O)c3ccccc3Br)cc2)CC1 ZINC000040115657 571173323 /nfs/dbraw/zinc/17/33/23/571173323.db2.gz MJTPCZPDIOURHA-UHFFFAOYSA-N 0 3 416.363 3.517 50 0 HHAAHN C[NH+](C)CCCNC(=O)C[C@@H](c1ccccc1)c1cc(Br)ccc1[O-] ZINC000008990778 571206749 /nfs/dbraw/zinc/20/67/49/571206749.db2.gz SJYBSEBBKJJTET-KRWDZBQOSA-N 0 3 405.336 3.745 50 0 HHAAHN C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1ccc(Br)cc1 ZINC000069352136 571222926 /nfs/dbraw/zinc/22/29/26/571222926.db2.gz MXIACQKIYDHCLK-QAPCUYQASA-N 0 3 402.336 3.934 50 0 HHAAHN CCC(C)(C)NCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000009337893 571249501 /nfs/dbraw/zinc/24/95/01/571249501.db2.gz YYIPUQQHTJPHBX-UHFFFAOYSA-N 0 3 415.987 3.621 50 0 HHAAHN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1ccccc1CN(C)C ZINC000010299578 571299622 /nfs/dbraw/zinc/29/96/22/571299622.db2.gz ZPEDUYJKLDREHV-UHFFFAOYSA-N 0 3 415.541 3.810 50 0 HHAAHN CN(C)[C@@H](CNC(=O)C1(c2ccccc2)CCOCC1)c1cn(C)c2ccccc12 ZINC000077171666 571311822 /nfs/dbraw/zinc/31/18/22/571311822.db2.gz DQZNZIBZHRJMRE-QHCPKHFHSA-N 0 3 405.542 3.646 50 0 HHAAHN Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3CCCn3cccn3)cc2)n1 ZINC000011838297 962201279 /nfs/dbraw/zinc/20/12/79/962201279.db2.gz OMJHYCVNKAQONC-QFIPXVFZSA-N 0 3 406.534 3.569 50 0 HHAAHN COc1cc(CN2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)cc(OC)c1O ZINC000012092951 962236956 /nfs/dbraw/zinc/23/69/56/962236956.db2.gz VNQPVTCILDKDOB-JOCHJYFZSA-N 0 3 405.922 3.880 50 0 HHAAHN COc1cccc(CCNC(=O)[C@H]2CC23CCN(Cc2ccccc2OC)CC3)c1 ZINC000012181623 962249814 /nfs/dbraw/zinc/24/98/14/962249814.db2.gz QVYGLKMBYHQMJZ-JOCHJYFZSA-N 0 3 408.542 3.665 50 0 HHAAHN O=C(c1cccc(F)c1)N1CC[C@H]2[C@H](CCCN2Cc2ccc3nsnc3c2)C1 ZINC000012190304 962251319 /nfs/dbraw/zinc/25/13/19/962251319.db2.gz GAWHXMVDMCUJTM-UTKZUKDTSA-N 0 3 410.518 3.957 50 0 HHAAHN CCOc1ccc([C@@H]2C[C@H]3CN(Cc4ccccc4C)C(=O)[C@]34CCCN24)cc1CO ZINC000012201363 962252394 /nfs/dbraw/zinc/25/23/94/962252394.db2.gz DBEISLJALRSBCB-FXSPECFOSA-N 0 3 420.553 3.824 50 0 HHAAHN CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(Cc2cccc(OCCO)c2)C1 ZINC000012314582 962268717 /nfs/dbraw/zinc/26/87/17/962268717.db2.gz WXMFNKAHJCCSQN-XMMPIXPASA-N 0 3 415.505 3.585 50 0 HHAAHN O=C(c1ccc(Cl)cc1)N1CCOc2ccc(CN3CCCC[C@@H]3CO)cc2C1 ZINC000014970804 962614472 /nfs/dbraw/zinc/61/44/72/962614472.db2.gz RHLAEWOQNVYLFH-OAQYLSRUSA-N 0 3 414.933 3.722 50 0 HHAAHN Cc1ccc2nc(OCc3ccccc3C)c(CN[C@H](CO)Cc3c[nH]cn3)cc2c1 ZINC000043053810 966893356 /nfs/dbraw/zinc/89/33/56/966893356.db2.gz JQIHMLROQJQOGN-QHCPKHFHSA-N 0 3 416.525 3.847 50 0 HHAAHN COCCO[C@H]1CN(C2CCN(C(=O)c3ccc(C)s3)CC2)C12CCCCC2 ZINC000257186121 970621229 /nfs/dbraw/zinc/62/12/29/970621229.db2.gz YKJRFHAWAZJCQZ-FQEVSTJZSA-N 0 3 406.592 3.711 50 0 HHAAHN CO[C@H]1CN(C2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)[C@H]1c1ccncc1 ZINC000257190539 970623696 /nfs/dbraw/zinc/62/36/96/970623696.db2.gz OUODNTZRNISZBY-UPVQGACJSA-N 0 3 421.520 3.647 50 0 HHAAHN O=C1CCN(Cc2cccc(F)c2)CCC[C@@H](c2nc(-c3cccnc3)no2)CCN1 ZINC000257197154 970625842 /nfs/dbraw/zinc/62/58/42/970625842.db2.gz ZNXGQPDRBWIWJO-GOSISDBHSA-N 0 3 423.492 3.547 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)CCc3cnn(-c4ccccc4)c3)cc2)CC1 ZINC000011951340 132352480 /nfs/dbraw/zinc/35/24/80/132352480.db2.gz YXNSMQLUVFMUME-UHFFFAOYSA-N 0 3 403.530 3.586 50 0 HHAAHN CC(C)NC(=O)[C@@H]1C[C@H](NCc2cccc(F)c2)CN1Cc1ccccc1Cl ZINC000032516130 519714993 /nfs/dbraw/zinc/71/49/93/519714993.db2.gz WXVOFQXWFWYGOL-FPOVZHCZSA-N 0 3 403.929 3.736 50 0 HHAAHN CCN(CC)[C@H](CNC(=O)/C=C/c1cc(OC)c2c(c1)OCCO2)c1ccccc1 ZINC000032819102 520859646 /nfs/dbraw/zinc/85/96/46/520859646.db2.gz CZKOIRBSFKIUMS-YVNCXZRQSA-N 0 3 410.514 3.679 50 0 HHAAHN Cc1cccc(N2CCN(CCCCNC(=O)c3cccc4cccnc43)CC2)c1 ZINC000041479238 524556216 /nfs/dbraw/zinc/55/62/16/524556216.db2.gz MSBJKIUJIRLHSE-UHFFFAOYSA-N 0 3 402.542 3.875 50 0 HHAAHN Cc1cc(CN2CCC(CNC(=O)C(=O)Nc3ccccc3Cl)CC2)c(C)o1 ZINC000043941100 524674512 /nfs/dbraw/zinc/67/45/12/524674512.db2.gz RIMRDOSKCBOVPT-UHFFFAOYSA-N 0 3 403.910 3.517 50 0 HHAAHN Cc1ccccc1CN1CCC(NC(=O)COc2ccc(Br)cc2)CC1 ZINC000042127321 525137344 /nfs/dbraw/zinc/13/73/44/525137344.db2.gz FSOMKUVUYMWRJX-UHFFFAOYSA-N 0 3 417.347 3.917 50 0 HHAAHN O=C(COc1ccc(Br)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000010450832 557287459 /nfs/dbraw/zinc/28/74/59/557287459.db2.gz UKDNEGFHPCTNEK-UHFFFAOYSA-N 0 3 403.320 3.609 50 0 HHAAHN O=C(CCC(=O)N(C1CC1)C1CCN(Cc2ccccc2)CC1)NC1CCCCC1 ZINC000004241289 557531769 /nfs/dbraw/zinc/53/17/69/557531769.db2.gz PCBDJTDCFGXFEL-UHFFFAOYSA-N 0 3 411.590 3.871 50 0 HHAAHN CC(=O)N1CCc2cc(C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)ccc21 ZINC000022681149 557765594 /nfs/dbraw/zinc/76/55/94/557765594.db2.gz BWGZQOYJRJKAIE-OAQYLSRUSA-N 0 3 411.571 3.860 50 0 HHAAHN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000011617189 558264776 /nfs/dbraw/zinc/26/47/76/558264776.db2.gz AJAPTWKTHVPRHV-FSSWDIPSSA-N 0 3 418.424 3.885 50 0 HHAAHN O=C(CCN1CCN(Cc2cccc3ccccc32)CC1)Nc1ccc2c(c1)OCO2 ZINC000019900048 558304724 /nfs/dbraw/zinc/30/47/24/558304724.db2.gz DIFUIZVLIRSVHO-UHFFFAOYSA-N 0 3 417.509 3.715 50 0 HHAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1=CCCCC1 ZINC000011996963 558306852 /nfs/dbraw/zinc/30/68/52/558306852.db2.gz NDGZXZRUORZAKD-FQEVSTJZSA-N 0 3 401.570 3.928 50 0 HHAAHN CC(C)=CCC[C@@H](C)CN1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1 ZINC000012041271 558312838 /nfs/dbraw/zinc/31/28/38/558312838.db2.gz SSJMTCBIBDYNSR-GOSISDBHSA-N 0 3 413.541 3.588 50 0 HHAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)Cc2sc(C)nc2C)C1 ZINC000012053371 558314932 /nfs/dbraw/zinc/31/49/32/558314932.db2.gz JHNNAYFIPSSUKS-LJQANCHMSA-N 0 3 415.603 3.724 50 0 HHAAHN CC(C)c1ccc(CN2CCC[C@]3(CCN(C(=O)CCN4CCCC4=O)C3)C2)cc1 ZINC000012058634 558316930 /nfs/dbraw/zinc/31/69/30/558316930.db2.gz CWSRJSIHKQQKIE-VWLOTQADSA-N 0 3 411.590 3.637 50 0 HHAAHN Cc1nc2ccccc2nc1CN1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020448783 558364077 /nfs/dbraw/zinc/36/40/77/558364077.db2.gz QMQCZWCEWAVKLI-QFIPXVFZSA-N 0 3 401.558 3.725 50 0 HHAAHN O=C(N[C@@H]1CCCc2c1cnn2-c1ccccn1)C1(N2CCCCC2)CCCCC1 ZINC000012305821 558374779 /nfs/dbraw/zinc/37/47/79/558374779.db2.gz JKVXLAWMRNYIDF-HXUWFJFHSA-N 0 3 407.562 3.950 50 0 HHAAHN CC(=O)Nc1ccc(CN2CCC[C@@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)cc1 ZINC000012306524 558375293 /nfs/dbraw/zinc/37/52/93/558375293.db2.gz OTAGIVVZHSLXFJ-HXUWFJFHSA-N 0 3 417.513 3.886 50 0 HHAAHN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CNCCCc1cccnc1 ZINC000012317669 558380883 /nfs/dbraw/zinc/38/08/83/558380883.db2.gz JIVWIEOTESXSGR-UHFFFAOYSA-N 0 3 405.546 3.776 50 0 HHAAHN Cc1nc2sccn2c1CN1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020512109 558382245 /nfs/dbraw/zinc/38/22/45/558382245.db2.gz DSWAEPPSBOJJAM-FQEVSTJZSA-N 0 3 413.566 3.630 50 0 HHAAHN O[C@H](CNCCNc1ncccc1C(F)(F)F)COc1ccc(Cl)c(Cl)c1 ZINC000012338943 558386042 /nfs/dbraw/zinc/38/60/42/558386042.db2.gz OZKXQMJKCKPFLX-LLVKDONJSA-N 0 3 424.250 3.849 50 0 HHAAHN CCCCc1ncc(CN2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)[nH]1 ZINC000012429697 558404459 /nfs/dbraw/zinc/40/44/59/558404459.db2.gz XNPUIAOMOBSQDR-UHFFFAOYSA-N 0 3 420.561 3.967 50 0 HHAAHN CCCCN1C(=O)C(CC(=O)Nc2ccc3c(c2)OCCO3)n2c3ccccc3nc21 ZINC000020726633 558405020 /nfs/dbraw/zinc/40/50/20/558405020.db2.gz XGLVNVOKHXLYEP-GOSISDBHSA-N 0 3 420.469 3.524 50 0 HHAAHN COc1cc(-c2n[nH]cc2CN2CCN(C3CCCCC3)CC2)cc(OC)c1OC ZINC000020907236 558421313 /nfs/dbraw/zinc/42/13/13/558421313.db2.gz DNJXGGJHGZVULR-UHFFFAOYSA-N 0 3 414.550 3.553 50 0 HHAAHN CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(Cc2cnc(N(C)C)s2)C1 ZINC000020914805 558422811 /nfs/dbraw/zinc/42/28/11/558422811.db2.gz WVYJJENTWPOEOL-QFIPXVFZSA-N 0 3 401.576 3.906 50 0 HHAAHN COCCCN(Cc1cccn1Cc1ccccc1)C[C@@H](O)COCc1ccccc1 ZINC000004346777 558427577 /nfs/dbraw/zinc/42/75/77/558427577.db2.gz IZFDUTALZOIYRM-AREMUKBSSA-N 0 3 422.569 3.953 50 0 HHAAHN N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2F)[C@@H]2CN(Cc3ccccc3)CC=C12 ZINC000001431105 558430639 /nfs/dbraw/zinc/43/06/39/558430639.db2.gz MXCNQLUGHKUFQM-FYYLOGMGSA-N 0 3 409.468 3.751 50 0 HHAAHN COC1CCN(Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 ZINC000012593454 558436583 /nfs/dbraw/zinc/43/65/83/558436583.db2.gz JIWBXXJYYPVOLX-UHFFFAOYSA-N 0 3 405.498 3.938 50 0 HHAAHN CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)Cc1csc(C)n1 ZINC000012704263 558448994 /nfs/dbraw/zinc/44/89/94/558448994.db2.gz PWDDMMDAUVYIOL-IBGZPJMESA-N 0 3 403.567 3.936 50 0 HHAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)n1 ZINC000021795141 558449345 /nfs/dbraw/zinc/44/93/45/558449345.db2.gz FMPCKKZAVMUAJO-UHFFFAOYSA-N 0 3 414.941 3.783 50 0 HHAAHN COc1cccc(C[C@@]2(CO)CCCN(Cc3cc(OC)c(OC)c(OC)c3)C2)c1 ZINC000012713538 558453725 /nfs/dbraw/zinc/45/37/25/558453725.db2.gz OUGOFHJTTPSDML-DEOSSOPVSA-N 0 3 415.530 3.538 50 0 HHAAHN CCN(CC)[C@H](CNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C)c1ccccc1 ZINC000012794429 558467761 /nfs/dbraw/zinc/46/77/61/558467761.db2.gz AMJQWHOAKOQPID-YADHBBJMSA-N 0 3 413.537 3.779 50 0 HHAAHN Cc1ccc(NCCNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)nn1 ZINC000072231647 558622023 /nfs/dbraw/zinc/62/20/23/558622023.db2.gz UDIKUCFFXCUYMG-UHFFFAOYSA-N 0 3 402.477 3.979 50 0 HHAAHN CC1CCN([C@@H](CNC(=O)c2ccc3c(c2)NC(=O)CS3)c2cccs2)CC1 ZINC000014197325 558634069 /nfs/dbraw/zinc/63/40/69/558634069.db2.gz VDPNZWGABQSCJO-KRWDZBQOSA-N 0 3 415.584 3.995 50 0 HHAAHN CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccc(C)cc1)CC2 ZINC000014532382 558656698 /nfs/dbraw/zinc/65/66/98/558656698.db2.gz AHKFICBEVIZEQG-UHFFFAOYSA-N 0 3 421.541 3.823 50 0 HHAAHN CC(C)N1C(=O)N(CCc2ccccc2)C2(CCN(CCc3ccccc3)CC2)C1=O ZINC000014746774 558669349 /nfs/dbraw/zinc/66/93/49/558669349.db2.gz YTRQZGFCUQVERB-UHFFFAOYSA-N 0 3 419.569 3.979 50 0 HHAAHN OCc1ccc(CN(C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)o1 ZINC000014960414 558683921 /nfs/dbraw/zinc/68/39/21/558683921.db2.gz REUJUSLOYQBROL-OAQYLSRUSA-N 0 3 416.537 3.804 50 0 HHAAHN O=C(NCCCN1CCC[C@H](O)C1)c1ccc2oc(CCCc3ccccc3)nc2c1 ZINC000014963087 558684819 /nfs/dbraw/zinc/68/48/19/558684819.db2.gz LYVQFBNDVGHBEM-NRFANRHFSA-N 0 3 421.541 3.580 50 0 HHAAHN CCN1CCN(C2(CNC(=O)c3ccccc3Br)CCCCC2)CC1 ZINC000028293512 558698517 /nfs/dbraw/zinc/69/85/17/558698517.db2.gz SNSPQZGSCWFMOE-UHFFFAOYSA-N 0 3 408.384 3.519 50 0 HHAAHN CN(C)[C@@H](CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1ccccc1 ZINC000028957094 558707904 /nfs/dbraw/zinc/70/79/04/558707904.db2.gz DHHPQPXOUPJBEJ-FUHWJXTLSA-N 0 3 403.935 3.562 50 0 HHAAHN O=C(c1ccc(COc2cccc(Br)c2)o1)N1CC[C@@H](N2CCCC2)C1 ZINC000072288408 558719823 /nfs/dbraw/zinc/71/98/23/558719823.db2.gz AOWQHNXCQNGGJO-MRXNPFEDSA-N 0 3 419.319 3.931 50 0 HHAAHN CCN1CCC(NC(=O)CSc2nnc(-c3ccccc3)c3ccccc32)CC1 ZINC000030022453 558726438 /nfs/dbraw/zinc/72/64/38/558726438.db2.gz CCKKHXGOKYGQSU-UHFFFAOYSA-N 0 3 406.555 3.989 50 0 HHAAHN Cc1noc(C(F)(F)F)c1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000072307107 558766610 /nfs/dbraw/zinc/76/66/10/558766610.db2.gz XAQAATYBAUYZSO-UHFFFAOYSA-N 0 3 408.424 3.786 50 0 HHAAHN Cn1nnnc1SCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000016363660 558788477 /nfs/dbraw/zinc/78/84/77/558788477.db2.gz NSJIDSKEGDZYAT-UHFFFAOYSA-N 0 3 424.357 3.978 50 0 HHAAHN CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)NCCN3CCCCCC3)c2)C1 ZINC000033035975 558860010 /nfs/dbraw/zinc/86/00/10/558860010.db2.gz UTVVONGCPYEHQT-JOCHJYFZSA-N 0 3 414.594 3.590 50 0 HHAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000023017970 558863096 /nfs/dbraw/zinc/86/30/96/558863096.db2.gz PVKGRKAVVYKXCX-UXHICEINSA-N 0 3 411.571 3.554 50 0 HHAAHN CCOc1cc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)ccc1OC ZINC000019362926 558876515 /nfs/dbraw/zinc/87/65/15/558876515.db2.gz OJDQHBZQGYOBQA-UHFFFAOYSA-N 0 3 423.601 3.876 50 0 HHAAHN Cc1cccc(N2CCN(CC[C@@H](C)NCc3csc(-c4ncccn4)n3)CC2)c1 ZINC000057992863 558893224 /nfs/dbraw/zinc/89/32/24/558893224.db2.gz OPWBSVGAIRGHIH-LJQANCHMSA-N 0 3 422.602 3.599 50 0 HHAAHN CN(c1ccccc1NC(=O)N1CCC(CN2CCN(C)CC2)CC1)C1CCCC1 ZINC000097016037 558988019 /nfs/dbraw/zinc/98/80/19/558988019.db2.gz LBZWUIYWTSKVHW-UHFFFAOYSA-N 0 3 413.610 3.557 50 0 HHAAHN Cc1cccc(CN2CCC(C(=O)N(C)Cc3nc(-c4cccs4)no3)CC2)c1 ZINC000067613349 558989057 /nfs/dbraw/zinc/98/90/57/558989057.db2.gz XLTRQJISLPUVEU-UHFFFAOYSA-N 0 3 410.543 3.977 50 0 HHAAHN Cc1cc2c(ccnc2N2CCC[C@H](C(=O)NCCN3CCCCCC3)C2)s1 ZINC000033299632 559049511 /nfs/dbraw/zinc/04/95/11/559049511.db2.gz ZFIXSOCSUHUXLU-SFHVURJKSA-N 0 3 400.592 3.813 50 0 HHAAHN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000100510978 559136084 /nfs/dbraw/zinc/13/60/84/559136084.db2.gz AJAPTWKTHVPRHV-FKBYEOEOSA-N 0 3 418.424 3.885 50 0 HHAAHN Cc1ccccc1N1C(=O)[C@H](Oc2ccc(Cl)cc2)[C@@H]1CNC[C@@H]1CCCO1 ZINC000004992337 559224902 /nfs/dbraw/zinc/22/49/02/559224902.db2.gz FOFDCQHEZOTDFJ-SESVDKBCSA-N 0 3 400.906 3.580 50 0 HHAAHN Cc1cccc(/C=C2/Sc3ccc(C(=O)NCCN4CCCC4)cc3NC2=O)c1 ZINC000005035865 559232291 /nfs/dbraw/zinc/23/22/91/559232291.db2.gz LPJFPKOKZZHARA-KGENOOAVSA-N 0 3 407.539 3.906 50 0 HHAAHN COc1ccc2[nH]c3c(ncn(CCN4CCC(Cc5ccccc5)CC4)c3=O)c2c1 ZINC000005152223 559254127 /nfs/dbraw/zinc/25/41/27/559254127.db2.gz GRTMCIORJKAVLY-UHFFFAOYSA-N 0 3 416.525 3.841 50 0 HHAAHN Cc1ccccc1CN(C(=O)CC(C)C)c1ccc(CC(=O)NCCN(C)C)cc1 ZINC000037556860 559255147 /nfs/dbraw/zinc/25/51/47/559255147.db2.gz CWESIKTUUIPLKP-UHFFFAOYSA-N 0 3 409.574 3.795 50 0 HHAAHN COCc1ccc(CN2CC[C@]3(C2)CCCN(Cc2cccc(F)c2F)C3=O)o1 ZINC000011840148 559261439 /nfs/dbraw/zinc/26/14/39/559261439.db2.gz AMNFINGMRYOHAW-QFIPXVFZSA-N 0 3 404.457 3.719 50 0 HHAAHN COCCN(C[C@@H]1CN(Cc2ccco2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000248167135 559267043 /nfs/dbraw/zinc/26/70/43/559267043.db2.gz PAGXHOBXHCWNQO-UGKGYDQZSA-N 0 3 402.510 3.765 50 0 HHAAHN O=C(C[C@@H]1Sc2ccccc2NC1=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000062228998 560587068 /nfs/dbraw/zinc/58/70/68/560587068.db2.gz WBIAMUNDHGLPRS-RXVVDRJESA-N 0 3 409.555 3.660 50 0 HHAAHN CCN(C)CCNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000062580529 560631497 /nfs/dbraw/zinc/63/14/97/560631497.db2.gz HNBZYNIGQRKLBJ-UHFFFAOYSA-N 0 3 411.575 3.554 50 0 HHAAHN Oc1c2onc(-c3ccc(Br)cc3)c2c(O)n1-c1cccc2ccccc21 ZINC000101070765 560770881 /nfs/dbraw/zinc/77/08/81/560770881.db2.gz WYZKGYKOYGOCGM-HKUYNNGSSA-N 0 3 421.250 3.895 50 0 HHAAHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000101997252 560806941 /nfs/dbraw/zinc/80/69/41/560806941.db2.gz HXJRKUHQBVJCQZ-HSALFYBXSA-N 0 3 424.840 3.993 50 0 HHAAHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C1=O ZINC000102699128 560820151 /nfs/dbraw/zinc/82/01/51/560820151.db2.gz ABBALDGNDSAVGV-FDFHNCONSA-N 0 3 400.434 3.746 50 0 HHAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@H]2C1=O ZINC000102711281 560822925 /nfs/dbraw/zinc/82/29/25/560822925.db2.gz MCEWVEMNJCRCNB-BHIFYINESA-N 0 3 400.434 3.752 50 0 HHAAHN O=S(=O)(c1ccccc1F)N1CCC[C@@H]1[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000106160525 560884822 /nfs/dbraw/zinc/88/48/22/560884822.db2.gz BFVNUDSALSSJKX-TZIWHRDSSA-N 0 3 402.535 3.891 50 0 HHAAHN Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000109037064 568420785 /nfs/dbraw/zinc/42/07/85/568420785.db2.gz GVFJKWVZCYIVRE-HUUCEWRRSA-N 0 3 402.564 3.829 50 0 HHAAHN Cc1nc2cc(Cl)ccc2cc1C(=O)NCc1ccc(N2CCCN(C)CC2)nc1 ZINC000048289374 568434925 /nfs/dbraw/zinc/43/49/25/568434925.db2.gz WBJOEIDWTGAEEF-UHFFFAOYSA-N 0 3 423.948 3.664 50 0 HHAAHN Cc1cccc(N2CCN(CC[C@H](C)NC(=O)c3ccccc3-n3cccn3)CC2)c1 ZINC000048340838 568440393 /nfs/dbraw/zinc/44/03/93/568440393.db2.gz IDBSKLFGBQDOFH-NRFANRHFSA-N 0 3 417.557 3.511 50 0 HHAAHN Cc1cccc(CN2CCC(NC(=O)NC[C@H]3CCN(c4ccccc4)C3)CC2)c1 ZINC000048801182 568443388 /nfs/dbraw/zinc/44/33/88/568443388.db2.gz RNEROVAURPPJBQ-JOCHJYFZSA-N 0 3 406.574 3.785 50 0 HHAAHN C[C@H](NCC1(N2CCOCC2)CCCCC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000022039544 568473352 /nfs/dbraw/zinc/47/33/52/568473352.db2.gz AVKIGMHHJGZRDU-HNNXBMFYSA-N 0 3 414.377 3.945 50 0 HHAAHN CN1CCN([C@H](CNCc2cc(Cl)c3c(c2)OCCCO3)c2cccs2)CC1 ZINC000022015923 568473412 /nfs/dbraw/zinc/47/34/12/568473412.db2.gz XAMWZOIISXTHFC-GOSISDBHSA-N 0 3 421.994 3.641 50 0 HHAAHN COc1ccc(CCN(C)C(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1OC ZINC000000778811 568473786 /nfs/dbraw/zinc/47/37/86/568473786.db2.gz YIXWKIMSNXAPNW-UHFFFAOYSA-N 0 3 414.521 3.756 50 0 HHAAHN COc1ccc(CCN(C)C(=O)C2CCN(Cc3sccc3C)CC2)cc1OC ZINC000000778829 568473812 /nfs/dbraw/zinc/47/38/12/568473812.db2.gz ZHQOTSHWNAXPIV-UHFFFAOYSA-N 0 3 416.587 3.987 50 0 HHAAHN CC(=O)N1CCc2cc(C(=O)NC[C@@H](c3cccs3)N3CCC(C)CC3)ccc21 ZINC000022681146 568497262 /nfs/dbraw/zinc/49/72/62/568497262.db2.gz BWGZQOYJRJKAIE-NRFANRHFSA-N 0 3 411.571 3.860 50 0 HHAAHN CCN1CCN(CCCN(Cc2ccco2)C(=S)Nc2ccccc2OC)CC1 ZINC000020107832 568588386 /nfs/dbraw/zinc/58/83/86/568588386.db2.gz SUCOLTIGZQZRSY-UHFFFAOYSA-N 0 3 416.591 3.515 50 0 HHAAHN COc1ccc([C@@H](O)[C@@H](C)NCC2=Cc3cc(Br)ccc3OC2)cc1 ZINC000095442650 568611139 /nfs/dbraw/zinc/61/11/39/568611139.db2.gz XCOIHEIQXXMCMO-XCLFUZPHSA-N 0 3 404.304 3.945 50 0 HHAAHN Cc1ncc(CNC[C@H](C)O)c2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000095480091 568632780 /nfs/dbraw/zinc/63/27/80/568632780.db2.gz XCHLMCUCBDKTNN-NSHDSACASA-N 0 3 403.276 3.600 50 0 HHAAHN Cc1ncc(CNC(C)(C)CO)c2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000095480280 568632995 /nfs/dbraw/zinc/63/29/95/568632995.db2.gz GYKBYVMXEAGUGP-UHFFFAOYSA-N 0 3 417.303 3.990 50 0 HHAAHN CC[C@H](CNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1)Oc1ccccc1F ZINC000225475042 568641058 /nfs/dbraw/zinc/64/10/58/568641058.db2.gz ZINRJBJKIHPVAJ-LJQANCHMSA-N 0 3 424.520 3.838 50 0 HHAAHN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCN(C2CCCC2)CC1 ZINC000021017103 568657568 /nfs/dbraw/zinc/65/75/68/568657568.db2.gz UEYSPUPYAROHAW-UHFFFAOYSA-N 0 3 403.324 3.540 50 0 HHAAHN CN1CCC2(CC1)C[C@H](NC(=O)c1ccn(-c3cccc(F)c3)n1)c1ccccc1O2 ZINC000095955313 568669088 /nfs/dbraw/zinc/66/90/88/568669088.db2.gz GPLUQVPDLPULMG-NRFANRHFSA-N 0 3 420.488 3.729 50 0 HHAAHN Cc1cc(OC(F)F)c(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)s1 ZINC000096007064 568683055 /nfs/dbraw/zinc/68/30/55/568683055.db2.gz YCNPXCWMMGCTHT-MRXNPFEDSA-N 0 3 410.486 3.545 50 0 HHAAHN CCOc1c(Br)cc(CN[C@@H](C)Cn2ccnc2)cc1Br ZINC000030909752 568687574 /nfs/dbraw/zinc/68/75/74/568687574.db2.gz LIQGLLWUYFGAHO-NSHDSACASA-N 0 3 417.145 3.985 50 0 HHAAHN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN5CCC[C@H]5C4)c3n2)cc1 ZINC000002486656 568775224 /nfs/dbraw/zinc/77/52/24/568775224.db2.gz AVXCTAKHTFWYNB-INIZCTEOSA-N 0 3 411.456 3.563 50 0 HHAAHN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN5CCC[C@@H]5C4)c3n2)cc1 ZINC000002486658 568775331 /nfs/dbraw/zinc/77/53/31/568775331.db2.gz AVXCTAKHTFWYNB-MRXNPFEDSA-N 0 3 411.456 3.563 50 0 HHAAHN CN1CCCN(c2ccc(NC(=O)N[C@@H]3CCc4cc(F)ccc43)cc2F)CC1 ZINC000056660881 568813549 /nfs/dbraw/zinc/81/35/49/568813549.db2.gz ADBORCLBYCLPMF-HXUWFJFHSA-N 0 3 400.473 3.916 50 0 HHAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cnn(Cc2ccccc2Cl)c1 ZINC000012606789 568871307 /nfs/dbraw/zinc/87/13/07/568871307.db2.gz DHPDLZRKNYYRHP-UHFFFAOYSA-N 0 3 408.933 3.979 50 0 HHAAHN NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)c2cc3c(s2)CCCCC3)C1 ZINC000058156781 568893347 /nfs/dbraw/zinc/89/33/47/568893347.db2.gz XUQSWQWGKBPUEY-GOSISDBHSA-N 0 3 411.571 3.967 50 0 HHAAHN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)CNC(C)C ZINC000003438477 568903194 /nfs/dbraw/zinc/90/31/94/568903194.db2.gz BLQTZKVUQKBFER-UHFFFAOYSA-N 0 3 406.504 3.546 50 0 HHAAHN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCCN(C)Cc1ccccc1 ZINC000012761764 568946018 /nfs/dbraw/zinc/94/60/18/568946018.db2.gz OXDOIHNXBWZNIW-OAQYLSRUSA-N 0 3 415.965 3.733 50 0 HHAAHN COc1ccccc1-n1cc(CN2CCN([C@H]3CCc4ccccc4C3)CC2)cn1 ZINC000670460699 568950188 /nfs/dbraw/zinc/95/01/88/568950188.db2.gz TVHJZWRCOCQUOJ-QHCPKHFHSA-N 0 3 402.542 3.556 50 0 HHAAHN COc1ccc(OC)c(NC(=O)c2cc3cc4c5c(c3oc2=N)CCCN5CCC4)c1 ZINC000004193213 568950636 /nfs/dbraw/zinc/95/06/36/568950636.db2.gz JPRWYRVERNFXIE-UHFFFAOYSA-N 0 3 419.481 3.881 50 0 HHAAHN CCN(CC)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccncc1 ZINC000004271560 568957017 /nfs/dbraw/zinc/95/70/17/568957017.db2.gz GBQGIXVXJLZXLR-IBGZPJMESA-N 0 3 411.889 3.728 50 0 HHAAHN Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000007985681 568964558 /nfs/dbraw/zinc/96/45/58/568964558.db2.gz LEHLLFRASBBRPG-JOCHJYFZSA-N 0 3 419.525 3.804 50 0 HHAAHN CN(CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1)Cc1ccccc1 ZINC000015773976 568998802 /nfs/dbraw/zinc/99/88/02/568998802.db2.gz FGLMFURLORRNFI-XMMPIXPASA-N 0 3 413.521 3.506 50 0 HHAAHN Cc1ccccc1CN1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1CCO ZINC000104291850 569008182 /nfs/dbraw/zinc/00/81/82/569008182.db2.gz UWWONWUWIUKLFD-HSZRJFAPSA-N 0 3 408.521 3.593 50 0 HHAAHN Cc1cccc(-c2ccc(N3CCC[C@H](C(=O)NCCN4CCC(C)CC4)C3)nn2)c1 ZINC000035398274 569035073 /nfs/dbraw/zinc/03/50/73/569035073.db2.gz FPDGLNZJXSTCKW-QFIPXVFZSA-N 0 3 421.589 3.517 50 0 HHAAHN Cn1cccc1[C@@H]1CCCN1CC(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000013020125 569051093 /nfs/dbraw/zinc/05/10/93/569051093.db2.gz RLSUGFVPJGPRTL-VWLOTQADSA-N 0 3 416.569 3.660 50 0 HHAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000245238481 569055284 /nfs/dbraw/zinc/05/52/84/569055284.db2.gz QKCWRQZHQLQNEA-NJDAHSKKSA-N 0 3 404.422 3.729 50 0 HHAAHN COc1cc(NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc(OC)c1 ZINC000252515838 569057982 /nfs/dbraw/zinc/05/79/82/569057982.db2.gz NYQFFWVOAXLMOK-RTBURBONSA-N 0 3 408.420 3.953 50 0 HHAAHN CC(C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@H]12 ZINC000035908069 569065385 /nfs/dbraw/zinc/06/53/85/569065385.db2.gz GJMMNJHLDBUAMN-UYAOXDASSA-N 0 3 409.496 3.836 50 0 HHAAHN COc1cc(CNC(=O)C2CCN(Cc3cn(C)c4ccccc34)CC2)cc(OC)c1 ZINC000064669618 569078869 /nfs/dbraw/zinc/07/88/69/569078869.db2.gz RWOVGCGFFXOUIU-UHFFFAOYSA-N 0 3 421.541 3.724 50 0 HHAAHN COCCCN(Cc1ccc(OC)c(OC)c1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036095941 569090088 /nfs/dbraw/zinc/09/00/88/569090088.db2.gz RAKXNOXHRSLQMM-IBGZPJMESA-N 0 3 423.937 3.636 50 0 HHAAHN Cc1ccc(-c2cnc(N3CCC[C@@H](C(=O)NCCN4CCCCCC4)C3)nc2)cc1 ZINC000065023424 569154889 /nfs/dbraw/zinc/15/48/89/569154889.db2.gz KNFNYCRCCMMJIT-JOCHJYFZSA-N 0 3 421.589 3.661 50 0 HHAAHN CCN1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)Nc2ccccc2OC)CC1 ZINC000006877623 569164491 /nfs/dbraw/zinc/16/44/91/569164491.db2.gz PTBAKWUMBNQXDT-UHFFFAOYSA-N 0 3 411.502 3.942 50 0 HHAAHN CC(=O)Nc1cccc2c(C(=O)NC3CCN(Cc4ccccc4)CC3)ccnc12 ZINC000065178129 569191665 /nfs/dbraw/zinc/19/16/65/569191665.db2.gz TXKQKZVSQOFXCU-UHFFFAOYSA-N 0 3 402.498 3.588 50 0 HHAAHN C[C@H]1CCCN(c2ccc(-c3noc(CN4CCN(C5CCCCC5)CC4)n3)cn2)C1 ZINC000065216088 569197741 /nfs/dbraw/zinc/19/77/41/569197741.db2.gz KLUOQRNCPNXXSZ-IBGZPJMESA-N 0 3 424.593 3.818 50 0 HHAAHN O=C(NCc1ccc(Cl)cc1)c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1 ZINC000065256116 569208155 /nfs/dbraw/zinc/20/81/55/569208155.db2.gz NGWYIFUFURMBCE-NRFANRHFSA-N 0 3 406.917 3.816 50 0 HHAAHN CCCCc1c(C)nc2nc(SCCCN3CCN(C(C)C)CC3)nn2c1C ZINC000170605587 569244259 /nfs/dbraw/zinc/24/42/59/569244259.db2.gz OKLWOAAIZNQRRN-UHFFFAOYSA-N 0 3 404.628 3.592 50 0 HHAAHN COc1ccc([C@H](NCCn2ccnc2)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000170606802 569244751 /nfs/dbraw/zinc/24/47/51/569244751.db2.gz LCQZLOFGCQDHQS-UXHICEINSA-N 0 3 400.523 3.622 50 0 HHAAHN FC(F)(F)c1cccnc1N1CCN(C2CCN(Cc3ccsc3)CC2)CC1 ZINC000252490173 569289592 /nfs/dbraw/zinc/28/95/92/569289592.db2.gz KLBOPXHSVABMOS-UHFFFAOYSA-N 0 3 410.509 3.949 50 0 HHAAHN CN(C)CCNC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)c2ccccc2)c1 ZINC000037600535 569309150 /nfs/dbraw/zinc/30/91/50/569309150.db2.gz DFRIOBYEMGVVTE-UHFFFAOYSA-N 0 3 415.537 3.754 50 0 HHAAHN CC(C)CN1CCN([C@H]2CCOC3(CCN(C(=O)CCC4CCCC4)CC3)C2)CC1 ZINC000581819693 569320710 /nfs/dbraw/zinc/32/07/10/569320710.db2.gz CFMJRLRLXUTYIJ-QHCPKHFHSA-N 0 3 419.654 3.771 50 0 HHAAHN COC(=O)c1ccsc1N1CC[C@@H](N[C@H](c2ccc(F)cc2)C2CCC2)C1=O ZINC000078953986 569421987 /nfs/dbraw/zinc/42/19/87/569421987.db2.gz FKYVRHSALSZXPX-MSOLQXFVSA-N 0 3 402.491 3.910 50 0 HHAAHN COc1cc(CNCc2ccccc2N(C)C2CCN(C)CC2)cc(OC)c1OC ZINC000079073501 569426794 /nfs/dbraw/zinc/42/67/94/569426794.db2.gz YUELTUSGHYOQKI-UHFFFAOYSA-N 0 3 413.562 3.533 50 0 HHAAHN CCN1CCC[C@H]1CN/C=C1/c2ccccc2C(=O)N(c2cccc(Cl)c2)C1=O ZINC000019881341 569432993 /nfs/dbraw/zinc/43/29/93/569432993.db2.gz GTCAHMKSCHRHET-IGCAKMCNSA-N 0 3 409.917 3.942 50 0 HHAAHN CC(C(=O)NCC1CCCCC1)S(=O)(=O)Cc1csc(-c2cccs2)n1 ZINC000040106196 571166866 /nfs/dbraw/zinc/16/68/66/571166866.db2.gz NDSDCYDTDJASCZ-ZDUSSCGKSA-N 0 3 412.602 3.871 50 0 HHAAHN Cc1ccc(C(=O)N[C@H](C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@H]32)C(C)C)cc1 ZINC000009517097 571265229 /nfs/dbraw/zinc/26/52/29/571265229.db2.gz KDGFIOQNZNVWRZ-QTJGBDASSA-N 0 3 419.569 3.892 50 0 HHAAHN CCN(CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@H]1c1cccc(F)c1 ZINC000010233202 571297684 /nfs/dbraw/zinc/29/76/84/571297684.db2.gz NBBNGYLJMBVTEZ-OAQYLSRUSA-N 0 3 424.472 3.828 50 0 HHAAHN CCCCc1ncc(CN2CCC3(C[C@H]3C(=O)NCCc3ccccc3OC)CC2)[nH]1 ZINC000011785235 962191060 /nfs/dbraw/zinc/19/10/60/962191060.db2.gz BGYBSVAVBCFXPZ-NRFANRHFSA-N 0 3 424.589 3.722 50 0 HHAAHN Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1 ZINC000011957540 962215590 /nfs/dbraw/zinc/21/55/90/962215590.db2.gz FZJTVXAOSZNAMM-HSZRJFAPSA-N 0 3 410.606 3.949 50 0 HHAAHN CCCC[C@@H]1CN(CCC(=O)NCCCOc2cccnc2)Cc2ccccc2O1 ZINC000012160324 962247329 /nfs/dbraw/zinc/24/73/29/962247329.db2.gz OZRFPZKWXWFHHQ-JOCHJYFZSA-N 0 3 411.546 3.810 50 0 HHAAHN O=C1c2cccc(N3CCN(C4CCCC4)CC3)c2C(=O)N1Cc1cccc(F)c1 ZINC000012454269 962282778 /nfs/dbraw/zinc/28/27/78/962282778.db2.gz WYDWYCJGUSDZIE-UHFFFAOYSA-N 0 3 407.489 3.687 50 0 HHAAHN CN(Cc1cccc(OCCNC(=O)[C@@H]2CCCO2)c1)Cc1cccc2cccnc21 ZINC000014881799 962597294 /nfs/dbraw/zinc/59/72/94/962597294.db2.gz OZPUPBKGYLBNHY-QHCPKHFHSA-N 0 3 419.525 3.541 50 0 HHAAHN CN(C)c1ncc(CN2CCC(CCC(=O)N3CCc4ccccc4C3)CC2)s1 ZINC000015069617 962648124 /nfs/dbraw/zinc/64/81/24/962648124.db2.gz GVSBWLCNFNQPQF-UHFFFAOYSA-N 0 3 412.603 3.786 50 0 HHAAHN Cc1cccn2c(CNC[C@H]3OCCc4ccccc43)c(C(=O)N3CCCCC3)nc12 ZINC000020877597 963399724 /nfs/dbraw/zinc/39/97/24/963399724.db2.gz YBVBBHPWXAYGLS-JOCHJYFZSA-N 0 3 418.541 3.672 50 0 HHAAHN Cc1cccc(Cc2nnc(CCC(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)o2)c1 ZINC000023153541 963775954 /nfs/dbraw/zinc/77/59/54/963775954.db2.gz XWECUWZDZLZHKH-JOCHJYFZSA-N 0 3 418.541 3.682 50 0 HHAAHN O=C(Nc1ccnn1C1CCN(Cc2cccc3nonc32)CC1)c1cccc(F)c1 ZINC000067869326 968784720 /nfs/dbraw/zinc/78/47/20/968784720.db2.gz QIZZLCSGTKHQDC-UHFFFAOYSA-N 0 3 420.448 3.648 50 0 HHAAHN COCCO[C@@H]1CN(C2CCN(C(=O)c3ccc(C)s3)CC2)C12CCCCC2 ZINC000257186122 970621307 /nfs/dbraw/zinc/62/13/07/970621307.db2.gz YKJRFHAWAZJCQZ-HXUWFJFHSA-N 0 3 406.592 3.711 50 0 HHAAHN Cc1nn(C)c(C)c1CN(C(=O)CCN1Cc2cc(C)ccc2O[C@@H](C)C1)C(C)C ZINC000299773714 970722650 /nfs/dbraw/zinc/72/26/50/970722650.db2.gz DJUPVHHIECPROS-SFHVURJKSA-N 0 3 412.578 3.756 50 0 HHAAHN CCn1ccnc(N2CCC(NCc3cc(-c4ccccc4)ccc3OC)CC2)c1=O ZINC000511912052 1003887016 /nfs/dbraw/zinc/88/70/16/1003887016.db2.gz OSYNHAFADKSRDA-UHFFFAOYSA-N 0 3 418.541 3.697 50 0 HHAAHN CCOC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N(CC)CC)CC1CC1 ZINC000036246111 520154878 /nfs/dbraw/zinc/15/48/78/520154878.db2.gz WBHSRYLGPIHPBB-HXUWFJFHSA-N 0 3 401.551 3.797 50 0 HHAAHN CCN(CC)[C@H](CNC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)c1ccsc1 ZINC000031983249 520865848 /nfs/dbraw/zinc/86/58/48/520865848.db2.gz RVZMWBGVXPQMEH-ABSDTBQOSA-N 0 3 416.591 3.570 50 0 HHAAHN Cc1cc(C)n(-c2ccccc2NC(=O)NC[C@H](CN(C)C)[C@@H](O)c2ccccc2)n1 ZINC000040104875 524494906 /nfs/dbraw/zinc/49/49/06/524494906.db2.gz XLOLJMYOTNIWER-OFNKIYASSA-N 0 3 421.545 3.522 50 0 HHAAHN Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@H](CN(C)C)[C@@H](O)c1ccccc1 ZINC000043494846 525061612 /nfs/dbraw/zinc/06/16/12/525061612.db2.gz UJROFVZGGBHNRR-OFNKIYASSA-N 0 3 410.562 3.628 50 0 HHAAHN Cc1[nH]c2ccc(C(=O)NCCCN3CCN(Cc4ccccc4)CC3)cc2c1C ZINC000020583754 525421999 /nfs/dbraw/zinc/42/19/99/525421999.db2.gz WZSHLIIYGFQQJR-UHFFFAOYSA-N 0 3 404.558 3.722 50 0 HHAAHN O=C(CSc1nccn1-c1cccc(F)c1)NC1CCN(Cc2ccccc2)CC1 ZINC000032716584 527071409 /nfs/dbraw/zinc/07/14/09/527071409.db2.gz AQGJSGBAZXAEHI-UHFFFAOYSA-N 0 3 424.545 3.884 50 0 HHAAHN O=C(CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 ZINC000019817517 527151298 /nfs/dbraw/zinc/15/12/98/527151298.db2.gz VCFVAUDWAKKUTQ-APWZRJJASA-N 0 3 424.888 3.785 50 0 HHAAHN COCCN(C[C@H]1CN(Cc2ccco2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740517 557443725 /nfs/dbraw/zinc/44/37/25/557443725.db2.gz PAGXHOBXHCWNQO-DENIHFKCSA-N 0 3 402.510 3.765 50 0 HHAAHN CCOc1ccc(N2C(=O)C[C@H](NCCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000004648923 557575230 /nfs/dbraw/zinc/57/52/30/557575230.db2.gz ZHUXHACFDJNFOL-SFHVURJKSA-N 0 3 407.297 3.856 50 0 HHAAHN Cn1nnnc1SCCCNCc1ccc(-c2ccc(Br)cc2)o1 ZINC000006756827 557719511 /nfs/dbraw/zinc/71/95/11/557719511.db2.gz HKOSBANQQFOLGD-UHFFFAOYSA-N 0 3 408.325 3.505 50 0 HHAAHN Cn1nnnc1SCCCNCc1cc(Cl)ccc1OCc1ccccc1 ZINC000006767746 557720539 /nfs/dbraw/zinc/72/05/39/557720539.db2.gz OSHCHHSOIGAPML-UHFFFAOYSA-N 0 3 403.939 3.715 50 0 HHAAHN CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000022680813 557767783 /nfs/dbraw/zinc/76/77/83/557767783.db2.gz MPFXOCYITZBPPZ-XLIONFOSSA-N 0 3 417.575 3.685 50 0 HHAAHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(Br)cc1Cl ZINC000097577438 557827046 /nfs/dbraw/zinc/82/70/46/557827046.db2.gz FJZPCULLZYQBMY-CYBMUJFWSA-N 0 3 404.736 3.677 50 0 HHAAHN O[C@H](COc1ccccc1CNCc1cc(-c2ccccc2)n[nH]1)CN1CCCCC1 ZINC000011662319 558266213 /nfs/dbraw/zinc/26/62/13/558266213.db2.gz KWDKYLRHVJNHMX-QHCPKHFHSA-N 0 3 420.557 3.592 50 0 HHAAHN Cc1cccc(CN2C[C@@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NCCN(C)C)c1 ZINC000011788831 558276974 /nfs/dbraw/zinc/27/69/74/558276974.db2.gz XWBOYVNADMASHB-VXKWHMMOSA-N 0 3 415.578 3.547 50 0 HHAAHN COCc1ccc(CN2CCC[C@@H](CCC(=O)NCc3cccc(OC)c3)C2)o1 ZINC000011816814 558280041 /nfs/dbraw/zinc/28/00/41/558280041.db2.gz RFGKIWZZLKJMGW-SFHVURJKSA-N 0 3 400.519 3.743 50 0 HHAAHN COc1ccc(F)cc1C(=O)[C@H]1CCCN(C2CCN(Cc3ccccn3)CC2)C1 ZINC000011818742 558281913 /nfs/dbraw/zinc/28/19/13/558281913.db2.gz XEAOYOOEWMDBDA-SFHVURJKSA-N 0 3 411.521 3.789 50 0 HHAAHN O=C(Cc1ccsc1)NC[C@H]1CCC2(CCN(Cc3ccccc3F)CC2)O1 ZINC000011881287 558295023 /nfs/dbraw/zinc/29/50/23/558295023.db2.gz JMBYWMXXZOBRTK-LJQANCHMSA-N 0 3 402.535 3.760 50 0 HHAAHN CCOc1cc(CNCCN2CCOCC2)cc(Cl)c1OCc1ccccc1 ZINC000019872272 558299793 /nfs/dbraw/zinc/29/97/93/558299793.db2.gz GTTOZZVRGDYRFI-UHFFFAOYSA-N 0 3 404.938 3.740 50 0 HHAAHN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCN1CCN(CC)CC1 ZINC000019902573 558305657 /nfs/dbraw/zinc/30/56/57/558305657.db2.gz SRXCROIPXRQBJG-UHFFFAOYSA-N 0 3 415.559 3.558 50 0 HHAAHN C[C@H](Cc1ccc(F)cc1)N1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000011997362 558307136 /nfs/dbraw/zinc/30/71/36/558307136.db2.gz PZOHRHDNLPUCSI-OAHLLOKOSA-N 0 3 418.896 3.873 50 0 HHAAHN CC(C)=CCC[C@H](C)CN1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1 ZINC000012041267 558312858 /nfs/dbraw/zinc/31/28/58/558312858.db2.gz SSJMTCBIBDYNSR-SFHVURJKSA-N 0 3 413.541 3.588 50 0 HHAAHN COC(=O)c1ccccc1C(=O)N(C)CC1CCN(CCc2cccc(F)c2)CC1 ZINC000012112288 558326704 /nfs/dbraw/zinc/32/67/04/558326704.db2.gz XDOHIBFCJHJOBR-UHFFFAOYSA-N 0 3 412.505 3.639 50 0 HHAAHN Cc1nc2ccccc2nc1CN1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020448780 558364024 /nfs/dbraw/zinc/36/40/24/558364024.db2.gz QMQCZWCEWAVKLI-JOCHJYFZSA-N 0 3 401.558 3.725 50 0 HHAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(Cc2nc3c(s2)CCCC3)CC1 ZINC000012313848 558377530 /nfs/dbraw/zinc/37/75/30/558377530.db2.gz OWMBFJWUVCBSJP-IBGZPJMESA-N 0 3 418.651 3.615 50 0 HHAAHN CCN1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2cccc(C)c2C)C1=O ZINC000020533481 558384573 /nfs/dbraw/zinc/38/45/73/558384573.db2.gz ZIVHAMCYCQHPMW-NDWLXSOOSA-N 0 3 403.526 3.905 50 0 HHAAHN CC1CCN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn32)CC1 ZINC000012429662 558404540 /nfs/dbraw/zinc/40/45/40/558404540.db2.gz SOQNPHDIGLDMEX-UHFFFAOYSA-N 0 3 423.605 3.657 50 0 HHAAHN CCCn1ncc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2cccc(OC)c2)C3)c1C ZINC000012430319 558404984 /nfs/dbraw/zinc/40/49/84/558404984.db2.gz KSLOZTCNBJBQOT-DEOSSOPVSA-N 0 3 410.562 3.738 50 0 HHAAHN COc1ccccc1CCN1CCC(CN(C)C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000012440014 558411522 /nfs/dbraw/zinc/41/15/22/558411522.db2.gz SCKQPJZDXWQFTP-UHFFFAOYSA-N 0 3 409.574 3.788 50 0 HHAAHN Cc1ccc(-n2cc(CNCCSc3nnnn3C)c(-c3cccc(C)c3)n2)cc1 ZINC000012453191 558416367 /nfs/dbraw/zinc/41/63/67/558416367.db2.gz AEQCKBJAOWWMDV-UHFFFAOYSA-N 0 3 419.558 3.562 50 0 HHAAHN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)[C@@H]2CCCCCN2C)CC1 ZINC000012458935 558418558 /nfs/dbraw/zinc/41/85/58/558418558.db2.gz UUHZMHSFRCELPX-FQEVSTJZSA-N 0 3 420.981 3.929 50 0 HHAAHN Cc1ccc(-n2cc(CNCCN3CCC[C@H](O)C3)c(-c3cccc(C)c3)n2)cc1 ZINC000020995168 558426524 /nfs/dbraw/zinc/42/65/24/558426524.db2.gz XCHNHACIKYPMIO-DEOSSOPVSA-N 0 3 404.558 3.702 50 0 HHAAHN COc1ccc(OC)c(C(=O)N(C)CC2CCN(CCc3ccccc3F)CC2)c1 ZINC000012576088 558430634 /nfs/dbraw/zinc/43/06/34/558430634.db2.gz JIVQHJQNKDBERD-UHFFFAOYSA-N 0 3 414.521 3.870 50 0 HHAAHN COc1ccc([C@H]2CCCN2CCCCN2C(=O)c3ccccc3C2=O)c(OC)c1 ZINC000021583399 558442238 /nfs/dbraw/zinc/44/22/38/558442238.db2.gz XXQFZURLBDLAHU-OAQYLSRUSA-N 0 3 408.498 3.917 50 0 HHAAHN CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)Cc1csc(C)n1 ZINC000012704257 558448987 /nfs/dbraw/zinc/44/89/87/558448987.db2.gz PWDDMMDAUVYIOL-LJQANCHMSA-N 0 3 403.567 3.936 50 0 HHAAHN COC(=O)c1ccc(C(=O)N(CCc2ccc(OC)cc2)CC2CCN(C)CC2)cc1 ZINC000012704488 558449292 /nfs/dbraw/zinc/44/92/92/558449292.db2.gz BIXZQGIXVHLEEP-UHFFFAOYSA-N 0 3 424.541 3.509 50 0 HHAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(O)c3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000013513243 558536057 /nfs/dbraw/zinc/53/60/57/558536057.db2.gz IGUTXHYMHKWJIM-NJDAHSKKSA-N 0 3 404.397 3.582 50 0 HHAAHN CCOC(=O)N1CCC(N2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)CC1 ZINC000013595463 558546948 /nfs/dbraw/zinc/54/69/48/558546948.db2.gz GWXQBVBGOBNEOW-LJQANCHMSA-N 0 3 402.535 3.989 50 0 HHAAHN CCN1CCC(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000023314118 558548793 /nfs/dbraw/zinc/54/87/93/558548793.db2.gz GEJCHRPDDSFHNP-UHFFFAOYSA-N 0 3 418.891 3.571 50 0 HHAAHN O=C(CCc1nc(-c2ccc(F)cc2)no1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000023740531 558572779 /nfs/dbraw/zinc/57/27/79/558572779.db2.gz APKLDFMHBHOALK-FQEVSTJZSA-N 0 3 408.477 3.762 50 0 HHAAHN CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CCc1cn[nH]c1 ZINC000015064661 558707506 /nfs/dbraw/zinc/70/75/06/558707506.db2.gz OFJSVHRGGGRAAO-UHFFFAOYSA-N 0 3 422.495 3.774 50 0 HHAAHN CCOC(=O)N1CCC(N2CCC(CCc3ccccc3)(C(=O)OCC)CC2)CC1 ZINC000015071400 558712938 /nfs/dbraw/zinc/71/29/38/558712938.db2.gz MTQPTCHHGIDPRQ-UHFFFAOYSA-N 0 3 416.562 3.885 50 0 HHAAHN O=C(CCC1CCN(Cc2cccn2-c2nccs2)CC1)NCc1cccnc1 ZINC000015077469 558717125 /nfs/dbraw/zinc/71/71/25/558717125.db2.gz UEPPMNHROWRGKM-UHFFFAOYSA-N 0 3 409.559 3.637 50 0 HHAAHN CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(Cc2cnc(N(C)C)s2)C1 ZINC000015078069 558717718 /nfs/dbraw/zinc/71/77/18/558717718.db2.gz GGRPZBIYIVCRSG-JOCHJYFZSA-N 0 3 417.575 3.824 50 0 HHAAHN CCOC(=O)N[C@@H](CNCc1cccc(NC(=O)c2ccc(OC)cc2)c1)C1CC1 ZINC000072289904 558724364 /nfs/dbraw/zinc/72/43/64/558724364.db2.gz PZJHNJOQXNLSSH-NRFANRHFSA-N 0 3 411.502 3.562 50 0 HHAAHN CN(CC(=O)NCCOc1ccc(Cl)cc1)C1CCN(c2ccc(F)cc2)CC1 ZINC000072305183 558757772 /nfs/dbraw/zinc/75/77/72/558757772.db2.gz ZSRVCDKAMBISGS-UHFFFAOYSA-N 0 3 419.928 3.575 50 0 HHAAHN CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000016752096 558804998 /nfs/dbraw/zinc/80/49/98/558804998.db2.gz KUXGJWWFMTUQKK-JOCHJYFZSA-N 0 3 420.509 3.997 50 0 HHAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000018057012 558830260 /nfs/dbraw/zinc/83/02/60/558830260.db2.gz AJAPTWKTHVPRHV-BDTNDASRSA-N 0 3 418.424 3.885 50 0 HHAAHN Cc1ccccc1N1C(=O)[C@H](Oc2ccc(Cl)cc2)[C@@H]1CNC[C@H]1CCCO1 ZINC000013660096 558851559 /nfs/dbraw/zinc/85/15/59/558851559.db2.gz FOFDCQHEZOTDFJ-HLAWJBBLSA-N 0 3 400.906 3.580 50 0 HHAAHN Cc1ccc2[nH]c(N3CCC(C(=O)N4CCN(C5CCCCC5)CC4)CC3)nc2c1 ZINC000033070704 558866233 /nfs/dbraw/zinc/86/62/33/558866233.db2.gz HMPHQLCVVFPDSE-UHFFFAOYSA-N 0 3 409.578 3.565 50 0 HHAAHN Cc1ccc2nc(N3CCC(C(=O)N4CCN(C5CCCCC5)CC4)CC3)[nH]c2c1 ZINC000033070704 558866237 /nfs/dbraw/zinc/86/62/37/558866237.db2.gz HMPHQLCVVFPDSE-UHFFFAOYSA-N 0 3 409.578 3.565 50 0 HHAAHN COCCNC(=O)c1ccc(OC2CCN(Cc3cccs3)CC2)c(Cl)c1 ZINC000055254898 558877615 /nfs/dbraw/zinc/87/76/15/558877615.db2.gz CICGXUFYWVAXFW-UHFFFAOYSA-N 0 3 408.951 3.821 50 0 HHAAHN NC(=O)Nc1cccc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000058139654 558901372 /nfs/dbraw/zinc/90/13/72/558901372.db2.gz IEUUIWUJMWGZAG-IBGZPJMESA-N 0 3 406.408 3.570 50 0 HHAAHN C[C@H]1CN(CC2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)C[C@H](C)O1 ZINC000058227373 558913678 /nfs/dbraw/zinc/91/36/78/558913678.db2.gz CHICMEBTUXRVHK-GJZGRUSLSA-N 0 3 414.377 3.753 50 0 HHAAHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000058438709 558927145 /nfs/dbraw/zinc/92/71/45/558927145.db2.gz MDTVGMANYNHCIN-OAQYLSRUSA-N 0 3 420.513 3.504 50 0 HHAAHN O=C(c1cc(-c2cncnc2)nc2ccc(F)cc21)N1CCC[C@H]1CN1CCCC1 ZINC000063857098 558959852 /nfs/dbraw/zinc/95/98/52/558959852.db2.gz PFXFOHBXKAISPU-SFHVURJKSA-N 0 3 405.477 3.531 50 0 HHAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)n1 ZINC000067603757 558988198 /nfs/dbraw/zinc/98/81/98/558988198.db2.gz ALOFOEFWSWBGEU-UHFFFAOYSA-N 0 3 401.514 3.501 50 0 HHAAHN O=C(c1cccc(-c2nccnc2N2CCCC2)c1)N1CCN(C2CCCCC2)CC1 ZINC000033312992 559055014 /nfs/dbraw/zinc/05/50/14/559055014.db2.gz ZGOBDLGALBLUOG-UHFFFAOYSA-N 0 3 419.573 3.834 50 0 HHAAHN CN(C)[C@@H](CNC(=O)c1ccccc1Br)c1cn(C)c2ccccc12 ZINC000023239953 559064781 /nfs/dbraw/zinc/06/47/81/559064781.db2.gz RSEAPDBJWONPIP-IBGZPJMESA-N 0 3 400.320 3.974 50 0 HHAAHN CN(C)Cc1cccc(NC(=C2c3ccc(C(N)=O)cc3NC2=O)c2ccccc2)c1 ZINC000100081789 559129707 /nfs/dbraw/zinc/12/97/07/559129707.db2.gz FSZPIAXLCCQFCM-FCQUAONHSA-N 0 3 412.493 3.780 50 0 in-vitro HHAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000023738179 559179497 /nfs/dbraw/zinc/17/94/97/559179497.db2.gz RLPOISLZBJSKRE-GHTZIAJQSA-N 0 3 411.933 3.646 50 0 HHAAHN CC(C)CC(=O)N(Cc1ccc(F)cc1)c1ccc(CC(=O)NCCN(C)C)cc1 ZINC000037555591 559254955 /nfs/dbraw/zinc/25/49/55/559254955.db2.gz WFIYFNJTZYPRSP-UHFFFAOYSA-N 0 3 413.537 3.625 50 0 HHAAHN CC[C@H]1CCCCN1Cc1ccc(CNC(=O)c2c(C)oc3c2C2=NCCN2C=N3)o1 ZINC000100696404 559257369 /nfs/dbraw/zinc/25/73/69/559257369.db2.gz KWPVOQNWZGESIV-INIZCTEOSA-N 0 3 423.517 3.611 50 0 HHAAHN COc1ccc2[nH]c(CN3CCC(CCC(=O)NC[C@H]4CCCO4)CC3)c(C)c2c1 ZINC000011844286 559261716 /nfs/dbraw/zinc/26/17/16/559261716.db2.gz FWAVOAPJCXICKG-HXUWFJFHSA-N 0 3 413.562 3.772 50 0 HHAAHN Cc1cc(NC(=O)CN[C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]2C)n(C(C)(C)C)n1 ZINC000253417379 559280439 /nfs/dbraw/zinc/28/04/39/559280439.db2.gz SBSQIYPSGJBGMP-IDHHARJASA-N 0 3 421.586 3.509 50 0 HHAAHN O=c1occ(CN2CCc3ccccc3C2)c([O-])c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000101373435 560792835 /nfs/dbraw/zinc/79/28/35/560792835.db2.gz SLAJUOZUPUEYNH-JOCHJYFZSA-N 0 3 416.521 3.893 50 0 HHAAHN O=c1occ(CN2CCc3ccccc3C2)c([O-])c1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000101373435 560792836 /nfs/dbraw/zinc/79/28/36/560792836.db2.gz SLAJUOZUPUEYNH-JOCHJYFZSA-N 0 3 416.521 3.893 50 0 HHAAHN O=c1c(CN2CCc3ccccc3C2)coc([O-])c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000101373435 560792838 /nfs/dbraw/zinc/79/28/38/560792838.db2.gz SLAJUOZUPUEYNH-JOCHJYFZSA-N 0 3 416.521 3.893 50 0 HHAAHN O=c1c(CN2CCc3ccccc3C2)coc([O-])c1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000101373435 560792841 /nfs/dbraw/zinc/79/28/41/560792841.db2.gz SLAJUOZUPUEYNH-JOCHJYFZSA-N 0 3 416.521 3.893 50 0 HHAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C1=O ZINC000102711283 560822987 /nfs/dbraw/zinc/82/29/87/560822987.db2.gz MCEWVEMNJCRCNB-YPAWHYETSA-N 0 3 400.434 3.752 50 0 HHAAHN CN(C)C[C@@H](CNC(=O)Nc1ccc(-c2nccs2)cc1)[C@H](O)c1ccccc1 ZINC000048353521 568441180 /nfs/dbraw/zinc/44/11/80/568441180.db2.gz FLAKRGKWKBOZAI-UYAOXDASSA-N 0 3 410.543 3.843 50 0 HHAAHN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000048367997 568442115 /nfs/dbraw/zinc/44/21/15/568442115.db2.gz LLNICSWBFMRXIC-RPWUZVMVSA-N 0 3 403.526 3.904 50 0 HHAAHN CC(C)[C@H](NCC(=O)NCCc1ccc(F)cc1)c1ccc2c(c1)OCCCO2 ZINC000049605832 568452562 /nfs/dbraw/zinc/45/25/62/568452562.db2.gz VKQCHELVOVIMRE-QHCPKHFHSA-N 0 3 400.494 3.633 50 0 HHAAHN O=C(NC1CCN(Cc2ccccc2)CC1)N[C@@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000031662843 568505236 /nfs/dbraw/zinc/50/52/36/568505236.db2.gz PNIAURQIGNOZNL-RTBURBONSA-N 0 3 413.484 3.840 50 0 HHAAHN Cc1c(C(=O)NCCN(C)C)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2 ZINC000020490065 568614451 /nfs/dbraw/zinc/61/44/51/568614451.db2.gz DBDAPCGLMSTJRZ-UHFFFAOYSA-N 0 3 412.921 3.543 50 0 HHAAHN CCOc1cc(CN2CC[C@@H](C(N)=O)C2)ccc1OCc1c(F)cccc1Cl ZINC000095453834 568615829 /nfs/dbraw/zinc/61/58/29/568615829.db2.gz DIKZDIZLNIONAE-OAHLLOKOSA-N 0 3 406.885 3.764 50 0 HHAAHN CC(C)(C)C(=O)N1CCC(N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000095993808 568678475 /nfs/dbraw/zinc/67/84/75/568678475.db2.gz SNTXNOXRXVFQHO-KRWDZBQOSA-N 0 3 412.361 3.725 50 0 HHAAHN CCOc1c(Br)cc(CN[C@H](C)Cn2ccnc2)cc1Br ZINC000030909754 568687564 /nfs/dbraw/zinc/68/75/64/568687564.db2.gz LIQGLLWUYFGAHO-LLVKDONJSA-N 0 3 417.145 3.985 50 0 HHAAHN CC(C)[C@H](NC(=O)c1cccs1)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000058011051 568875924 /nfs/dbraw/zinc/87/59/24/568875924.db2.gz INENECQXBFFEDY-CTNGQTDRSA-N 0 3 413.587 3.673 50 0 HHAAHN CCN(CC)CCn1c(C)nc2c3cc4c(nc3sc2c1=O)CC(C)(C)OC4 ZINC000001293569 568913042 /nfs/dbraw/zinc/91/30/42/568913042.db2.gz SXZDNVICNGCSCI-UHFFFAOYSA-N 0 3 400.548 3.508 50 0 HHAAHN CCc1ccc([C@@H](NCC(=O)Nc2cc(S(C)(=O)=O)ccc2C)C(C)C)cc1 ZINC000083823590 568917690 /nfs/dbraw/zinc/91/76/90/568917690.db2.gz JJPGZUGKLDPZKO-QFIPXVFZSA-N 0 3 402.560 3.886 50 0 HHAAHN CN(C)[C@H](CNc1ncc(Cl)c(NC[C@@H](c2ccco2)N(C)C)n1)c1ccco1 ZINC000083847773 568918617 /nfs/dbraw/zinc/91/86/17/568918617.db2.gz UDRKVVRIGCOIDX-JKSUJKDBSA-N 0 3 418.929 3.746 50 0 HHAAHN CC[C@@H](CNC(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1)N1CCCC1 ZINC000031229180 568920156 /nfs/dbraw/zinc/92/01/56/568920156.db2.gz VKXDKVCGKSSZRP-FQEVSTJZSA-N 0 3 412.530 3.887 50 0 HHAAHN O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NC1CCN(Cc2ccccc2)CC1 ZINC000031333850 568923961 /nfs/dbraw/zinc/92/39/61/568923961.db2.gz ZTBJNYNPBSDCMN-UHFFFAOYSA-N 0 3 414.933 3.825 50 0 HHAAHN CCN(CC)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccncc1 ZINC000004271559 568956950 /nfs/dbraw/zinc/95/69/50/568956950.db2.gz GBQGIXVXJLZXLR-LJQANCHMSA-N 0 3 411.889 3.728 50 0 HHAAHN Cn1cc(CN2CCN(C(=O)c3cc(-c4cccs4)[nH]n3)CC2)c2ccccc21 ZINC000066327986 568966174 /nfs/dbraw/zinc/96/61/74/568966174.db2.gz LZVKPJUKUDLSHO-UHFFFAOYSA-N 0 3 405.527 3.588 50 0 HHAAHN CCN1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000015679731 568966801 /nfs/dbraw/zinc/96/68/01/568966801.db2.gz OKURRJYNJJFCSF-UHFFFAOYSA-N 0 3 411.502 3.942 50 0 HHAAHN CC(C)[C@@H](NCC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccc(F)cc1 ZINC000008003941 568967727 /nfs/dbraw/zinc/96/77/27/568967727.db2.gz LQVNRWMYVZXQFK-HXUWFJFHSA-N 0 3 401.873 3.985 50 0 HHAAHN COc1cccc([C@@H](CN[C@@H](C)C(=O)N2CCCC2)c2c[nH]c3ccccc32)c1OC ZINC000008323982 568990657 /nfs/dbraw/zinc/99/06/57/568990657.db2.gz HFXROQJCCNMMGU-LAUBAEHRSA-N 0 3 421.541 3.918 50 0 HHAAHN O=C(CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)NCCN1CCCCC1 ZINC000035399172 569035283 /nfs/dbraw/zinc/03/52/83/569035283.db2.gz HWPZLSLKFILYLA-UHFFFAOYSA-N 0 3 406.958 3.576 50 0 HHAAHN Cc1ccc(CSc2nc3ccc(C(=O)NCCN4CCCC4)cc3n2C)cc1 ZINC000006748624 569041728 /nfs/dbraw/zinc/04/17/28/569041728.db2.gz BSBOFJVEFHMXAX-UHFFFAOYSA-N 0 3 408.571 4.000 50 0 HHAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4F)[C@H]3C2=O)c1 ZINC000245312555 569055824 /nfs/dbraw/zinc/05/58/24/569055824.db2.gz VVZSTPFSPDKUIM-YPAWHYETSA-N 0 3 418.424 3.885 50 0 HHAAHN CS[C@H]1CN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)C[C@H]1N(C)C ZINC000089314154 569058511 /nfs/dbraw/zinc/05/85/11/569058511.db2.gz IKLPCNRHVPHPLB-WBVHZDCISA-N 0 3 411.600 3.724 50 0 HHAAHN O=C(NC[C@@H]1CCN(c2ccccc2)C1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000064644055 569076253 /nfs/dbraw/zinc/07/62/53/569076253.db2.gz QBRFUQOQKDMYFZ-UXHICEINSA-N 0 3 412.603 3.786 50 0 HHAAHN CCC(CC)C(=O)N(CCN(C)C)Cc1cc(NC(=O)C2CCC2)ccc1N(C)C ZINC000006722338 569099497 /nfs/dbraw/zinc/09/94/97/569099497.db2.gz XMVXYORZQKMKKK-UHFFFAOYSA-N 0 3 416.610 3.818 50 0 HHAAHN CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)ccc21 ZINC000065026854 569155839 /nfs/dbraw/zinc/15/58/39/569155839.db2.gz YLXOIABACBWYKH-UHFFFAOYSA-N 0 3 405.542 3.868 50 0 HHAAHN Cc1ccc(Oc2nccnc2SCC(=O)NCCN2CCCC[C@@H]2C)cc1 ZINC000065111031 569178848 /nfs/dbraw/zinc/17/88/48/569178848.db2.gz XSIRUYZQJGHBAQ-KRWDZBQOSA-N 0 3 400.548 3.660 50 0 HHAAHN c1ccc(OCc2nc(-c3ccc4c(c3)nnn4CCN3CCCCC3)no2)cc1 ZINC000065255018 569207622 /nfs/dbraw/zinc/20/76/22/569207622.db2.gz YSPAPZGOQZTCNI-UHFFFAOYSA-N 0 3 404.474 3.546 50 0 HHAAHN CCN(CC)Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)c1 ZINC000036763424 569227317 /nfs/dbraw/zinc/22/73/17/569227317.db2.gz GTLPZQUTNRKUPM-UHFFFAOYSA-N 0 3 417.575 3.811 50 0 HHAAHN CCN(C(=O)C(=O)NCc1ccccc1CN1CCCCC1)c1ccc(F)c(F)c1 ZINC000065552837 569235314 /nfs/dbraw/zinc/23/53/14/569235314.db2.gz MMEXLVXNHNVHNC-UHFFFAOYSA-N 0 3 415.484 3.620 50 0 HHAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000065604701 569237183 /nfs/dbraw/zinc/23/71/83/569237183.db2.gz GENMROSVISJXQZ-WMZHIEFXSA-N 0 3 410.537 3.788 50 0 HHAAHN Cc1csc(CCCNC(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]2C(F)(F)F)n1 ZINC000170617682 569247736 /nfs/dbraw/zinc/24/77/36/569247736.db2.gz KDEJBRWCAPVMCZ-IRXDYDNUSA-N 0 3 411.493 3.811 50 0 HHAAHN CN(C)CCCNc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCCC3 ZINC000002218529 569312054 /nfs/dbraw/zinc/31/20/54/569312054.db2.gz IUVSNLQWTKOREC-UHFFFAOYSA-N 0 3 400.548 3.732 50 0 HHAAHN Cc1cc(C)c(N2CC[C@H](N[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)C2=O)c(C)c1 ZINC000253429225 569368796 /nfs/dbraw/zinc/36/87/96/569368796.db2.gz MKESYZTUMLPMOO-ZCNNSNEGSA-N 0 3 415.578 3.952 50 0 HHAAHN CCOC(=O)C1C(CNCc2ccc(C)cc2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000055226545 569394981 /nfs/dbraw/zinc/39/49/81/569394981.db2.gz BUMLRLBDPOEDHE-FQEVSTJZSA-N 0 3 413.905 3.609 50 0 HHAAHN CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000002415601 569397301 /nfs/dbraw/zinc/39/73/01/569397301.db2.gz NKERNKDRFHKBAR-NRFANRHFSA-N 0 3 406.482 3.689 50 0 HHAAHN CC1(C)CCC[C@@H]1N(CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccccc1 ZINC000079022067 569424401 /nfs/dbraw/zinc/42/44/01/569424401.db2.gz FZTZZRQRGDKMDN-NRFANRHFSA-N 0 3 400.563 3.869 50 0 HHAAHN C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCC2(C1)CCCCCC2 ZINC000079024440 569424657 /nfs/dbraw/zinc/42/46/57/569424657.db2.gz DPJXRJIYNUNUNA-CQSZACIVSA-N 0 3 411.468 3.593 50 0 HHAAHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000238900195 571046563 /nfs/dbraw/zinc/04/65/63/571046563.db2.gz HXJRKUHQBVJCQZ-VAMGGRTRSA-N 0 3 424.840 3.993 50 0 HHAAHN CN(C)Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000040121104 571176882 /nfs/dbraw/zinc/17/68/82/571176882.db2.gz UHHCTXZRVNDXIP-QGZVFWFLSA-N 0 3 419.447 3.754 50 0 HHAAHN CN(C)Cc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c1 ZINC000040121005 571176920 /nfs/dbraw/zinc/17/69/20/571176920.db2.gz JNYISMDPEKAOFB-QGZVFWFLSA-N 0 3 419.447 3.754 50 0 HHAAHN O=C(NCCCCN1CCN(c2ccccc2)CC1)N1CC[C@@H](c2ccccc2)C1 ZINC000069622202 571235101 /nfs/dbraw/zinc/23/51/01/571235101.db2.gz ZWFPOEPFZRSPLP-HSZRJFAPSA-N 0 3 406.574 3.788 50 0 HHAAHN CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCCCN1CCC(C)CC1 ZINC000009269122 571244175 /nfs/dbraw/zinc/24/41/75/571244175.db2.gz TWRSZKXNKOTIQY-UHFFFAOYSA-N 0 3 405.564 3.613 50 0 HHAAHN COc1cc(C(=O)NC[C@H](c2cccc3ccccc32)N(C)C)cc(OC)c1OC ZINC000010330400 571300523 /nfs/dbraw/zinc/30/05/23/571300523.db2.gz XTZAHEAFCSJKAO-HXUWFJFHSA-N 0 3 408.498 3.898 50 0 HHAAHN COc1ccccc1[C@H]1[C@H]2CN(Cc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N ZINC000033690010 571316266 /nfs/dbraw/zinc/31/62/66/571316266.db2.gz YOBAKVZRCNETJJ-UPVQGACJSA-N 0 3 421.504 3.621 50 0 HHAAHN C[C@@]1(C2CCN(Cc3cc4ccccc4[nH]3)CC2)NC(=O)N(Cc2ccsc2)C1=O ZINC000011871109 962203708 /nfs/dbraw/zinc/20/37/08/962203708.db2.gz AOFFHQCPIBKFEK-QHCPKHFHSA-N 0 3 422.554 3.952 50 0 HHAAHN COC(=O)c1ccc(CN2CCN([C@H](C)CCc3ccc(OC)cc3)CCC2=O)cc1 ZINC000011909246 962207356 /nfs/dbraw/zinc/20/73/56/962207356.db2.gz IYDGCZIUUHIJQP-LJQANCHMSA-N 0 3 424.541 3.537 50 0 HHAAHN Fc1cccc(COc2nc3cc4c(cc3cc2CNCCn2ccnc2)OCO4)c1 ZINC000012150915 962246545 /nfs/dbraw/zinc/24/65/45/962246545.db2.gz UDVAOIZNOZTWNE-UHFFFAOYSA-N 0 3 420.444 3.668 50 0 HHAAHN O=C(NC[C@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1)c1cc2ccccc2[nH]1 ZINC000012194780 962252489 /nfs/dbraw/zinc/25/24/89/962252489.db2.gz GNZQGDISSJVYHI-GOSISDBHSA-N 0 3 405.498 3.581 50 0 HHAAHN COc1ccc2c(c1)C=C(CN1CCC[C@@H](N3CCN(c4ccccc4)CC3)C1)CO2 ZINC000020780720 963395009 /nfs/dbraw/zinc/39/50/09/963395009.db2.gz ULGWQMOIDSHDAS-XMMPIXPASA-N 0 3 419.569 3.758 50 0 HHAAHN COCCCNC(=O)N1CCC(N2CC3(CCCCC3)[C@H]2c2ccncc2)CC1 ZINC000169786996 970481710 /nfs/dbraw/zinc/48/17/10/970481710.db2.gz JCKZTJQAKPIWLE-OAQYLSRUSA-N 0 3 400.567 3.599 50 0 HHAAHN COc1cccc(CN2CCC(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)c1 ZINC000002828243 132258133 /nfs/dbraw/zinc/25/81/33/132258133.db2.gz UBGSJNGQKDRBBX-UHFFFAOYSA-N 0 3 421.585 3.873 50 0 HHAAHN CCCN1CCN(c2ncnc3sc(C(=O)NC4CCCCCC4)c(C)c32)CC1 ZINC000004729163 132285910 /nfs/dbraw/zinc/28/59/10/132285910.db2.gz RPFDFDUFGHHNHG-UHFFFAOYSA-N 0 3 415.607 3.984 50 0 HHAAHN Cc1ccc2c(c1)N(C(=O)CCC(=O)NCCCN(C)Cc1ccccc1)C[C@H](C)O2 ZINC000006798010 132317137 /nfs/dbraw/zinc/31/71/37/132317137.db2.gz JBPKQLDCIMJVQF-FQEVSTJZSA-N 0 3 423.557 3.527 50 0 HHAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc[nH]c1=S ZINC000010193140 132345442 /nfs/dbraw/zinc/34/54/42/132345442.db2.gz HWBKOSGKLKFAJP-UHFFFAOYSA-N 0 3 404.539 3.945 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)c3cc4cc(OC)cc(OC)c4[nH]3)cc2C)CC1 ZINC000012522088 132361692 /nfs/dbraw/zinc/36/16/92/132361692.db2.gz UNFXDPRDLQNGGY-UHFFFAOYSA-N 0 3 422.529 3.888 50 0 HHAAHN CCc1ccc([C@@H](CNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)N(C)C)cc1 ZINC000032733571 524029815 /nfs/dbraw/zinc/02/98/15/524029815.db2.gz TVRSHFRBXLIFSX-HXUWFJFHSA-N 0 3 403.567 3.615 50 0 HHAAHN Cc1cccc(N2CCN(CCCCNC(=O)CSc3ccc(F)cc3)CC2)c1 ZINC000032068097 524554445 /nfs/dbraw/zinc/55/44/45/524554445.db2.gz NKDQXSNJHWJXMD-UHFFFAOYSA-N 0 3 415.578 3.945 50 0 HHAAHN COc1ccc2nc(C)cc(N3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)c2c1 ZINC000006510066 537048052 /nfs/dbraw/zinc/04/80/52/537048052.db2.gz UAIGPSNNVLNZEM-XNTDXEJSSA-N 0 3 423.538 3.675 50 0 HHAAHN COCC(=O)N(CC(C)C)C[C@H]1CN(Cc2cccn2C)C[C@@H]1c1cccc(F)c1 ZINC000034740489 557443824 /nfs/dbraw/zinc/44/38/24/557443824.db2.gz VTNILQFEDOEAIB-NFBKMPQASA-N 0 3 415.553 3.511 50 0 HHAAHN Cn1nnnc1SCCNCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000008591134 557796228 /nfs/dbraw/zinc/79/62/28/557796228.db2.gz BDFRDBNXBSMFGF-UHFFFAOYSA-N 0 3 424.357 3.978 50 0 HHAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)C2=C(C)OCCO2)CC1 ZINC000011661766 558265565 /nfs/dbraw/zinc/26/55/65/558265565.db2.gz MNOCBCRFVNXTIX-UHFFFAOYSA-N 0 3 416.562 3.670 50 0 HHAAHN O[C@@H](Cn1c2ccccc2c2c1CCCC2)CN1CCN(Cc2ccccc2)CC1 ZINC000019757974 558274974 /nfs/dbraw/zinc/27/49/74/558274974.db2.gz QRHHLEHVTPUDHI-JOCHJYFZSA-N 0 3 403.570 3.699 50 0 HHAAHN COc1ccc(OCC(=O)N2CCN(C3CCC(c4ccccc4)CC3)CC2)cc1 ZINC000019790036 558282309 /nfs/dbraw/zinc/28/23/09/558282309.db2.gz FORDYNRGDAQIKI-UHFFFAOYSA-N 0 3 408.542 3.945 50 0 HHAAHN CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)Cn1cc2ccccc2n1 ZINC000011838261 558285381 /nfs/dbraw/zinc/28/53/81/558285381.db2.gz YDRJCSKEGDQOJG-IBGZPJMESA-N 0 3 408.521 3.589 50 0 HHAAHN O=C(NCc1ccco1)[C@H]1CC12CCN(Cc1ccc(Oc3ncccn3)cc1)CC2 ZINC000011838818 558285682 /nfs/dbraw/zinc/28/56/82/558285682.db2.gz NVFYWZGWRRPZTD-OAQYLSRUSA-N 0 3 418.497 3.780 50 0 HHAAHN CN(C(=O)CC1=CSC2=NCCCN12)[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000011844151 558289057 /nfs/dbraw/zinc/28/90/57/558289057.db2.gz OYZKSWRYDBSIRJ-FQEVSTJZSA-N 0 3 412.603 3.582 50 0 HHAAHN Cc1nc2ccccc2n1CCC(=O)N1CCC[C@H](N(C)CCc2ccccc2)C1 ZINC000011933632 558298205 /nfs/dbraw/zinc/29/82/05/558298205.db2.gz BIGDQSQTTORBCH-QFIPXVFZSA-N 0 3 404.558 3.900 50 0 HHAAHN COc1cccc(CN2CCN(C3CCN(c4ccccc4C)CC3)C[C@@H]2CCO)c1 ZINC000019866913 558298837 /nfs/dbraw/zinc/29/88/37/558298837.db2.gz GDIWPBQWHPQJDD-DEOSSOPVSA-N 0 3 423.601 3.541 50 0 HHAAHN O=C(c1[nH]nc2ccccc21)N1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2 ZINC000011935484 558299470 /nfs/dbraw/zinc/29/94/70/558299470.db2.gz IUXJRQBVXSUARW-QHCPKHFHSA-N 0 3 410.468 3.969 50 0 HHAAHN COc1ccc(C(=O)NC2CC2)cc1OC1CCN([C@H](C)Cc2ncccc2C)CC1 ZINC000011937342 558301053 /nfs/dbraw/zinc/30/10/53/558301053.db2.gz GPWRSBWFDTYYSX-GOSISDBHSA-N 0 3 423.557 3.765 50 0 HHAAHN COc1ccc(C(=O)NC2CC2)cc1OC1CCN([C@@H](C)Cc2ncccc2C)CC1 ZINC000011937341 558301075 /nfs/dbraw/zinc/30/10/75/558301075.db2.gz GPWRSBWFDTYYSX-SFHVURJKSA-N 0 3 423.557 3.765 50 0 HHAAHN COc1cccc(-c2cc(CC3(O)CCN(CCCn4nc(C)cc4C)CC3)on2)c1 ZINC000011953410 558303228 /nfs/dbraw/zinc/30/32/28/558303228.db2.gz SUNBJIQXHQHGSO-UHFFFAOYSA-N 0 3 424.545 3.623 50 0 HHAAHN C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc3ccccc3c1)CC2 ZINC000011972313 558305035 /nfs/dbraw/zinc/30/50/35/558305035.db2.gz FSRFRQJDNLZVKY-QGZVFWFLSA-N 0 3 415.497 3.574 50 0 HHAAHN CC[C@@H]1CCCCN1Cc1ccc(C(=O)NCc2nc3ccccc3s2)c(=O)[nH]1 ZINC000012037957 558312426 /nfs/dbraw/zinc/31/24/26/558312426.db2.gz DJCLUIPQOMNOFA-MRXNPFEDSA-N 0 3 410.543 3.679 50 0 HHAAHN CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000019956649 558314976 /nfs/dbraw/zinc/31/49/76/558314976.db2.gz YKAABNBEPBHASU-FQEVSTJZSA-N 0 3 423.557 3.546 50 0 HHAAHN CC(C)C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012098686 558325359 /nfs/dbraw/zinc/32/53/59/558325359.db2.gz ZBPXDNJXLPENPB-IBGZPJMESA-N 0 3 417.557 3.837 50 0 HHAAHN COCCCN1C(=O)C(CC(=O)Nc2ccccc2Cl)n2c3ccccc3nc21 ZINC000020103424 558332581 /nfs/dbraw/zinc/33/25/81/558332581.db2.gz PFSDQNCOKBPWNG-SFHVURJKSA-N 0 3 412.877 3.643 50 0 HHAAHN CCC(CC)CN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3ccco3)n2CC1 ZINC000012165485 558342514 /nfs/dbraw/zinc/34/25/14/558342514.db2.gz QTUIYUGOEDPHQE-GOSISDBHSA-N 0 3 401.555 3.683 50 0 HHAAHN C[C@@H]1CCCN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn32)C1 ZINC000012301127 558370895 /nfs/dbraw/zinc/37/08/95/558370895.db2.gz VWDDKSRBBGCSLF-HXUWFJFHSA-N 0 3 423.605 3.657 50 0 HHAAHN Cc1cccn2c(CN3CC[C@@H](C4CCCCC4)C3)c(C(=O)N3CCOCC3)nc12 ZINC000012434051 558407761 /nfs/dbraw/zinc/40/77/61/558407761.db2.gz SPNPRRBGAOQNNS-HXUWFJFHSA-N 0 3 410.562 3.517 50 0 HHAAHN COc1ccc(-c2noc(CN3CCN(C4C5CC6CC(C5)CC4C6)CC3)n2)cc1 ZINC000020773835 558411443 /nfs/dbraw/zinc/41/14/43/558411443.db2.gz OTPXNVOISLLUIS-UHFFFAOYSA-N 0 3 408.546 3.688 50 0 HHAAHN COc1cccc(C(=O)[C@@H]2CCCN(Cc3c(C)n(C)n(-c4ccccc4)c3=O)C2)c1 ZINC000020778192 558412524 /nfs/dbraw/zinc/41/25/24/558412524.db2.gz YBTOGCMWWUFSLW-HXUWFJFHSA-N 0 3 419.525 3.588 50 0 HHAAHN CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1ccc2c(c1)OCCO2 ZINC000012443199 558412890 /nfs/dbraw/zinc/41/28/90/558412890.db2.gz UWTBLEWZRVVWBZ-GOSISDBHSA-N 0 3 412.505 3.624 50 0 HHAAHN C[C@@H](Cc1ccccc1F)N1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000012457102 558417539 /nfs/dbraw/zinc/41/75/39/558417539.db2.gz SEFFOPUJLQTDRQ-HNNXBMFYSA-N 0 3 418.896 3.873 50 0 HHAAHN CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(Cc2cnc(N(C)C)s2)C1 ZINC000020914800 558422728 /nfs/dbraw/zinc/42/27/28/558422728.db2.gz WVYJJENTWPOEOL-JOCHJYFZSA-N 0 3 401.576 3.906 50 0 HHAAHN COc1cccc(-c2nn(-c3ccccc3)cc2CN(C)CCc2cnn(C)c2)c1 ZINC000020914975 558422776 /nfs/dbraw/zinc/42/27/76/558422776.db2.gz ZEGHSIWIFGLNFH-UHFFFAOYSA-N 0 3 401.514 3.956 50 0 HHAAHN CCOC(=O)[C@]1(CCOC)CCCN(Cc2cccn2-c2ccc(Cl)cn2)C1 ZINC000012475933 558422936 /nfs/dbraw/zinc/42/29/36/558422936.db2.gz XISGKDPRTZVVOW-NRFANRHFSA-N 0 3 405.926 3.708 50 0 HHAAHN O=C(CN[C@@H](c1cccs1)c1ccc(F)cc1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000012802730 558472195 /nfs/dbraw/zinc/47/21/95/558472195.db2.gz VRXMMHHXBXJTRR-ZJSXRUAMSA-N 0 3 423.557 3.957 50 0 HHAAHN CN1CCN(CC[C@H]2CCCCN2C(=S)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000022935462 558526418 /nfs/dbraw/zinc/52/64/18/558526418.db2.gz ZXLZRVCDAJTTRE-GOSISDBHSA-N 0 3 414.541 3.894 50 0 HHAAHN CC(C)Oc1ccc(CCNCc2c(C(=O)N3CCCC3)nc3sccn23)cc1 ZINC000023338410 558550007 /nfs/dbraw/zinc/55/00/07/558550007.db2.gz XTAFDHXXYHKOKT-UHFFFAOYSA-N 0 3 412.559 3.751 50 0 HHAAHN Cc1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c(C)c1 ZINC000023340039 558550666 /nfs/dbraw/zinc/55/06/66/558550666.db2.gz FCIXDBXTCRSKHK-JOCHJYFZSA-N 0 3 421.545 3.673 50 0 HHAAHN Cc1c(C)n(CC[NH+](C)C)c2ncn3nc(-c4ccc5ccccc5c4[O-])nc3c12 ZINC000013628406 558551791 /nfs/dbraw/zinc/55/17/91/558551791.db2.gz OSKRQHDYHCAFJU-UHFFFAOYSA-N 0 3 400.486 3.783 50 0 HHAAHN OCC[C@H]1CN(Cc2cnn(-c3ccccc3F)c2)CCN1CCCc1ccccc1 ZINC000023373895 558553573 /nfs/dbraw/zinc/55/35/73/558553573.db2.gz AXEXRAZVQLVEKS-QHCPKHFHSA-N 0 3 422.548 3.513 50 0 HHAAHN O=C(CC1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000023411307 558557797 /nfs/dbraw/zinc/55/77/97/558557797.db2.gz HNCVNYXHHBBHPS-HXUWFJFHSA-N 0 3 415.428 3.687 50 0 HHAAHN O=C(CCn1c(=O)oc2cc(Cl)ccc21)NC[C@@H](c1cccs1)N1CCCC1 ZINC000024991431 558626139 /nfs/dbraw/zinc/62/61/39/558626139.db2.gz XZTBDNAZWQVUGL-INIZCTEOSA-N 0 3 419.934 3.653 50 0 HHAAHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCCC2)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000014196728 558633605 /nfs/dbraw/zinc/63/36/05/558633605.db2.gz UQBAAAKAGLBXOU-UONOGXRCSA-N 0 3 411.571 3.892 50 0 HHAAHN COc1ccc([C@@H](CNCc2ccc(OC(C)C)c(OC)c2)N2CCOCC2)cc1 ZINC000025261985 558636084 /nfs/dbraw/zinc/63/60/84/558636084.db2.gz TWLADXAOARQDOH-JOCHJYFZSA-N 0 3 414.546 3.654 50 0 HHAAHN COc1cc(CNC[C@@H]2COc3ccccc3O2)ccc1OCc1c(C)noc1C ZINC000025261906 558636230 /nfs/dbraw/zinc/63/62/30/558636230.db2.gz LCDWBSUZJWNHKS-GOSISDBHSA-N 0 3 410.470 3.809 50 0 HHAAHN CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(Cc2cccc3nonc32)C1 ZINC000014951053 558680954 /nfs/dbraw/zinc/68/09/54/558680954.db2.gz AKVZWAUMWGIDDZ-HSZRJFAPSA-N 0 3 409.486 3.619 50 0 HHAAHN O=C(CCCc1ccccc1)NC[C@H]1CCC2(CCN(Cc3ccncc3)CC2)O1 ZINC000014990574 558694272 /nfs/dbraw/zinc/69/42/72/558694272.db2.gz NFIPHPUBYLSERI-HSZRJFAPSA-N 0 3 407.558 3.734 50 0 HHAAHN Cc1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)cc1 ZINC000014996700 558696303 /nfs/dbraw/zinc/69/63/03/558696303.db2.gz SVFMORRGCMIXQU-FQEVSTJZSA-N 0 3 421.545 3.755 50 0 HHAAHN O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(=O)N(CCN2CCCCC2)CC1 ZINC000014996471 558696381 /nfs/dbraw/zinc/69/63/81/558696381.db2.gz CAHSKCUGBUQYJC-UHFFFAOYSA-N 0 3 423.532 3.653 50 0 HHAAHN CCN(CC)[C@@H](CNC(=O)c1nn(-c2ccc(C)c(C)c2)ccc1=O)c1ccccc1 ZINC000028292065 558697805 /nfs/dbraw/zinc/69/78/05/558697805.db2.gz PJBBMQVUXBLILZ-QFIPXVFZSA-N 0 3 418.541 3.662 50 0 HHAAHN CCN1CCN(C2(CNC(=O)[C@H](C)Oc3cc(C)cc(C)c3)CCCCC2)CC1 ZINC000028403143 558700001 /nfs/dbraw/zinc/70/00/01/558700001.db2.gz NCWOIKSLCQTSER-NRFANRHFSA-N 0 3 401.595 3.527 50 0 HHAAHN COc1ccccc1/C=C/CN1CCC[C@H](CNC(=O)COc2ccccc2OC)C1 ZINC000015067762 558710356 /nfs/dbraw/zinc/71/03/56/558710356.db2.gz VYSGSLXHQPPJMC-OJLWIZQOSA-N 0 3 424.541 3.624 50 0 HHAAHN COC(=O)c1ccc(CN2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)cc1 ZINC000015070083 558712161 /nfs/dbraw/zinc/71/21/61/558712161.db2.gz XCCDXSTZBRJOOQ-GOSISDBHSA-N 0 3 412.505 3.921 50 0 HHAAHN O=C(c1cn(Cc2cccc3ccccc32)nn1)N1CCCN(C2CCCCC2)CC1 ZINC000015078219 558717624 /nfs/dbraw/zinc/71/76/24/558717624.db2.gz XYNBVQPVPIWJAF-UHFFFAOYSA-N 0 3 417.557 3.960 50 0 HHAAHN CCc1cccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)c1 ZINC000033326840 558766805 /nfs/dbraw/zinc/76/68/05/558766805.db2.gz NYMWIKFFAPYPCO-UHFFFAOYSA-N 0 3 408.550 3.692 50 0 HHAAHN Cc1ccc2c(c1)CN(CCC(=O)N1CCC([C@H](O)c3ccccc3)CC1)C[C@H](C)O2 ZINC000039354730 558820276 /nfs/dbraw/zinc/82/02/76/558820276.db2.gz XPTRGIZHCYWHAA-RXFWQSSRSA-N 0 3 422.569 3.940 50 0 HHAAHN Cc1ccc(-n2cccn2)c(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)c1 ZINC000039445450 558821327 /nfs/dbraw/zinc/82/13/27/558821327.db2.gz GMRQTPIFZRPPEU-XMMPIXPASA-N 0 3 404.558 3.558 50 0 HHAAHN CCC(CC)N1CCN(Cc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)CC1 ZINC000019360597 558876063 /nfs/dbraw/zinc/87/60/63/558876063.db2.gz DQUKJAXVQOZANT-UHFFFAOYSA-N 0 3 408.521 3.831 50 0 HHAAHN O=C(C1CCN(Cc2cccc(Cl)c2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000004700461 558908158 /nfs/dbraw/zinc/90/81/58/558908158.db2.gz FZJQFKCASOYJJO-UHFFFAOYSA-N 0 3 411.977 3.896 50 0 HHAAHN Oc1ccc(C2=CCN(C[C@@H](O)COc3ccc(Br)cc3)CC2)cc1 ZINC000058356064 558921293 /nfs/dbraw/zinc/92/12/93/558921293.db2.gz UQWCLKBVCQAZNN-LJQANCHMSA-N 0 3 404.304 3.684 50 0 HHAAHN O=C(CCc1ccccc1Br)NCC1(N2CCSCC2)CCCC1 ZINC000059403847 558935503 /nfs/dbraw/zinc/93/55/03/558935503.db2.gz JJFLHLIPLRNPHV-UHFFFAOYSA-N 0 3 411.409 3.860 50 0 HHAAHN O=S(=O)(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000063156398 558957947 /nfs/dbraw/zinc/95/79/47/558957947.db2.gz PUTZGWCMXULJNM-UHFFFAOYSA-N 0 3 407.539 3.810 50 0 HHAAHN CCOc1ccccc1NC(=O)N1CCN(c2cc(N3CCCCC3)nc(C)n2)CC1 ZINC000065364579 558975688 /nfs/dbraw/zinc/97/56/88/558975688.db2.gz HISQKCPCFHOMAF-UHFFFAOYSA-N 0 3 424.549 3.528 50 0 HHAAHN Cc1cccc(CN2CCC(C(=O)NCc3nc(-c4cccc(C)c4)no3)CC2)c1 ZINC000067601927 558987669 /nfs/dbraw/zinc/98/76/69/558987669.db2.gz KVYCDZDXKVXCOR-UHFFFAOYSA-N 0 3 404.514 3.882 50 0 HHAAHN Cc1ccccc1-c1noc(CNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)n1 ZINC000067602052 558987913 /nfs/dbraw/zinc/98/79/13/558987913.db2.gz AJXPYGIFLXAYJM-UHFFFAOYSA-N 0 3 408.477 3.713 50 0 HHAAHN CCOC(=O)C1(c2ccccc2)CCN(CCC(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000004784110 559062951 /nfs/dbraw/zinc/06/29/51/559062951.db2.gz PAGYGLFOHMKESE-HXUWFJFHSA-N 0 3 420.553 3.951 50 0 HHAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000023738189 559179500 /nfs/dbraw/zinc/17/95/00/559179500.db2.gz RLPOISLZBJSKRE-NQIIRXRSSA-N 0 3 411.933 3.646 50 0 HHAAHN O=c1c2[nH]c3ccc(F)cc3c2ncn1CCN1CCC(Cc2ccccc2)CC1 ZINC000005152230 559254139 /nfs/dbraw/zinc/25/41/39/559254139.db2.gz NJNRYUMQNDUHIE-UHFFFAOYSA-N 0 3 404.489 3.972 50 0 HHAAHN COCC(=O)N(CC(C)C)C[C@@H]1CN(Cc2cccn2C)C[C@H]1c1cccc(F)c1 ZINC000248156271 559265728 /nfs/dbraw/zinc/26/57/28/559265728.db2.gz VTNILQFEDOEAIB-REWPJTCUSA-N 0 3 415.553 3.511 50 0 HHAAHN O[C@H](COc1cccc(CNCc2ccccc2)c1)CN1CCc2ccccc2C1 ZINC000011950823 559268927 /nfs/dbraw/zinc/26/89/27/559268927.db2.gz NWKOQLFUZMWAGA-VWLOTQADSA-N 0 3 402.538 3.774 50 0 HHAAHN O[C@@H](COc1cccc(CNCc2ccccc2)c1)CN1CCc2ccccc2C1 ZINC000011950817 559268962 /nfs/dbraw/zinc/26/89/62/559268962.db2.gz NWKOQLFUZMWAGA-RUZDIDTESA-N 0 3 402.538 3.774 50 0 HHAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(O)c3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000136642634 559277941 /nfs/dbraw/zinc/27/79/41/559277941.db2.gz IGUTXHYMHKWJIM-PWRODBHTSA-N 0 3 404.397 3.582 50 0 HHAAHN COc1ccc(NC(=O)[C@H]2C[C@H](CC(C)C)N[C@@]23c2cccc(C)c2NC3=O)cc1 ZINC000005452255 560589525 /nfs/dbraw/zinc/58/95/25/560589525.db2.gz WDQYBWAXAYCKTC-IQOKHDRSSA-N 0 3 407.514 3.814 50 0 HHAAHN Cc1ccc(-n2c(O)c3onc(-c4ccccc4Cl)c3c2O)c(Br)c1 ZINC000101186560 560788974 /nfs/dbraw/zinc/78/89/74/560788974.db2.gz BRNQLZKRFOUKMS-ZBFHGGJFSA-N 0 3 419.662 3.703 50 0 HHAAHN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c1 ZINC000102706413 560820673 /nfs/dbraw/zinc/82/06/73/560820673.db2.gz XIRGTAFIESYEAK-BHDDXSALSA-N 0 3 418.424 3.885 50 0 HHAAHN CCN(CC)[C@@H](CNC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1ccsc1 ZINC000048311927 568437069 /nfs/dbraw/zinc/43/70/69/568437069.db2.gz KQWFCFCVAAEZMY-DYVFJYSZSA-N 0 3 402.520 3.672 50 0 HHAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(F)ccc1NC(=O)N1CCCC1 ZINC000049548464 568451682 /nfs/dbraw/zinc/45/16/82/568451682.db2.gz UJNXDQABBFBHLV-UHFFFAOYSA-N 0 3 424.520 3.848 50 0 HHAAHN CN(CCCNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)Cc1ccccc1 ZINC000024835572 568469988 /nfs/dbraw/zinc/46/99/88/568469988.db2.gz SHVQWBGJQBZICG-BUHFOSPRSA-N 0 3 419.569 3.577 50 0 HHAAHN Cn1ccnc1C[C@H]1CCCN(Cc2nnc(-c3ccc(Br)cc3)o2)C1 ZINC000095427834 568608101 /nfs/dbraw/zinc/60/81/01/568608101.db2.gz UTIMYIVIWPWLCK-CQSZACIVSA-N 0 3 416.323 3.687 50 0 HHAAHN COc1ccc([C@@H](O)[C@H](C)NCC2=Cc3cc(Br)ccc3OC2)cc1 ZINC000095442649 568611129 /nfs/dbraw/zinc/61/11/29/568611129.db2.gz XCOIHEIQXXMCMO-RBZFPXEDSA-N 0 3 404.304 3.945 50 0 HHAAHN C[C@H]1C[C@@H](C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)CCC1=O ZINC000095447032 568612255 /nfs/dbraw/zinc/61/22/55/568612255.db2.gz QMIZSJPTEGBPQM-FPOVZHCZSA-N 0 3 405.542 3.953 50 0 HHAAHN Cn1c(CN2CCCCC2)cc(=O)c(O)c1CN1CC=C(c2ccc(F)cc2)CC1 ZINC000095480425 568633194 /nfs/dbraw/zinc/63/31/94/568633194.db2.gz YNDYITHXZVLJAC-UHFFFAOYSA-N 0 3 411.521 3.505 50 0 HHAAHN CCCN1CCN(c2ccc(NC(=O)CSC(F)(F)F)c(OCC)c2)CC1 ZINC000225555739 568650821 /nfs/dbraw/zinc/65/08/21/568650821.db2.gz JJHCWINEFOZDDF-UHFFFAOYSA-N 0 3 405.486 3.809 50 0 HHAAHN CC(C)(C)OC(=O)NC1CCN(CCCC(=O)NCCSc2ccccc2)CC1 ZINC000225604244 568656145 /nfs/dbraw/zinc/65/61/45/568656145.db2.gz NJDHYQWYIULSFQ-UHFFFAOYSA-N 0 3 421.607 3.664 50 0 HHAAHN CN(C)CCN(C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1cccc(Cl)c1Cl ZINC000225616532 568657489 /nfs/dbraw/zinc/65/74/89/568657489.db2.gz MJPQPMIVVXTXMT-OAHLLOKOSA-N 0 3 412.361 3.537 50 0 HHAAHN O=C(NCCN1CCCC1)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021161761 568674365 /nfs/dbraw/zinc/67/43/65/568674365.db2.gz ASFSZIPNBSQETO-UHFFFAOYSA-N 0 3 406.530 3.887 50 0 HHAAHN Fc1ccc(N2CCN(c3ncc4c(n3)CCN(CCc3ccccc3)C4)CC2)cc1 ZINC000021640388 568727590 /nfs/dbraw/zinc/72/75/90/568727590.db2.gz MEFYIJFFILHWSE-UHFFFAOYSA-N 0 3 417.532 3.543 50 0 HHAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2ncnc(N3CCCC3)c2c1 ZINC000096399905 568749019 /nfs/dbraw/zinc/74/90/19/568749019.db2.gz GSUPQMQTNYEUIF-UHFFFAOYSA-N 0 3 415.541 3.624 50 0 HHAAHN Cc1cccc(-c2ncc(CN3CCC(CCC(=O)NC[C@@H]4CCCO4)CC3)cn2)c1 ZINC000015071412 568749241 /nfs/dbraw/zinc/74/92/41/568749241.db2.gz UMXSRAHVZCVFER-QHCPKHFHSA-N 0 3 422.573 3.739 50 0 HHAAHN O=C(CN1CCC[C@H]2CCCC[C@H]21)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000230063591 568805612 /nfs/dbraw/zinc/80/56/12/568805612.db2.gz RUOAGGNHMSYGST-RHSMWYFYSA-N 0 3 407.440 3.879 50 0 HHAAHN COc1ccc(/C=C2/Sc3ccc(C(=O)NCCN4CCCC4)cc3NC2=O)cc1 ZINC000003060529 568852633 /nfs/dbraw/zinc/85/26/33/568852633.db2.gz DNFDEEKAWODGRF-KGENOOAVSA-N 0 3 423.538 3.606 50 0 HHAAHN CCO[C@H](O)[C@@H]1N[C@H](c2ccc(C(F)(F)F)cc2)C([N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000230199218 568854488 /nfs/dbraw/zinc/85/44/88/568854488.db2.gz RJAMVXLGGRZFAI-NNIGNNQHSA-N 0 3 410.392 3.502 50 0 HHAAHN CCOC(=O)N1CCC[C@@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)C1 ZINC000084793553 568959910 /nfs/dbraw/zinc/95/99/10/568959910.db2.gz LGKDBUJYOXWBAU-LJQANCHMSA-N 0 3 421.969 3.633 50 0 HHAAHN Cc1cc(CNCc2ccc(CN3CCOCC3)cc2)c(C)n1-c1ccnn1C(C)C ZINC000007985269 568964362 /nfs/dbraw/zinc/96/43/62/568964362.db2.gz HQSWEUIGOKUFHC-UHFFFAOYSA-N 0 3 421.589 3.994 50 0 HHAAHN O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(c2ccncc2)CC1 ZINC000008097928 568973817 /nfs/dbraw/zinc/97/38/17/568973817.db2.gz HWLSGEYKKXXDKJ-UHFFFAOYSA-N 0 3 415.522 3.958 50 0 HHAAHN CCc1ccc([C@H](CNC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)N(C)C)cc1 ZINC000012797623 568976449 /nfs/dbraw/zinc/97/64/49/568976449.db2.gz RGAMGITUBPYRQM-VXKWHMMOSA-N 0 3 413.537 3.562 50 0 HHAAHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000008389215 568996567 /nfs/dbraw/zinc/99/65/67/568996567.db2.gz VSQUHFUUDYDCMA-JOCHJYFZSA-N 0 3 423.520 3.939 50 0 HHAAHN C[C@@H](NC(=O)CCN1Cc2ccccc2O[C@H](C)C1)c1cnn(-c2ccccc2)c1 ZINC000104412329 569008739 /nfs/dbraw/zinc/00/87/39/569008739.db2.gz LEVBHEHWBXAUTO-RTBURBONSA-N 0 3 404.514 3.723 50 0 HHAAHN CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)NCCN3CCCC[C@H]3C)c2)C1 ZINC000035220100 569014168 /nfs/dbraw/zinc/01/41/68/569014168.db2.gz BKOBBYMKNYHCKH-DENIHFKCSA-N 0 3 414.594 3.588 50 0 HHAAHN CCN(CC)[C@H](CNC(=O)c1nc(SC)ncc1Cl)c1cccc(OC)c1 ZINC000012893160 569020231 /nfs/dbraw/zinc/02/02/31/569020231.db2.gz QWNYFBLGXGICOC-MRXNPFEDSA-N 0 3 408.955 3.673 50 0 HHAAHN COc1ccc(CNC(=O)[C@H](C)OC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000012997288 569048239 /nfs/dbraw/zinc/04/82/39/569048239.db2.gz AYHKUOXDIGOUHH-SFHVURJKSA-N 0 3 410.514 3.543 50 0 HHAAHN COc1ccc(NC(=O)[C@@H]2C[C@H](CC(C)C)N[C@@]23c2cc(C)ccc2NC3=O)cc1 ZINC000035808844 569060889 /nfs/dbraw/zinc/06/08/89/569060889.db2.gz LXGWRKRXKJDGPC-REIDKSKDSA-N 0 3 407.514 3.814 50 0 HHAAHN CC(C)NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@H]12 ZINC000035908070 569065360 /nfs/dbraw/zinc/06/53/60/569065360.db2.gz GJMMNJHLDBUAMN-AZUAARDMSA-N 0 3 409.496 3.836 50 0 HHAAHN COc1ccc([C@H](NC(=O)CNCCOc2ccccc2OC)c2ccccc2)cc1 ZINC000016695494 569070795 /nfs/dbraw/zinc/07/07/95/569070795.db2.gz BDPWPRKFPNSSFV-RUZDIDTESA-N 0 3 420.509 3.578 50 0 HHAAHN CCOC(=O)C1=C(CN(C)C2CCCCC2)N(CC)C(=O)N[C@H]1c1ccsc1 ZINC000035991620 569074736 /nfs/dbraw/zinc/07/47/36/569074736.db2.gz DMLNUJWIPIVDDF-IBGZPJMESA-N 0 3 405.564 3.916 50 0 HHAAHN Cc1cccc(CN(Cc2nc(C(=O)NCCN(C)C)co2)Cc2ccc(F)cc2)c1 ZINC000036072515 569086772 /nfs/dbraw/zinc/08/67/72/569086772.db2.gz JPOOBSIQLBHNRE-UHFFFAOYSA-N 0 3 424.520 3.616 50 0 HHAAHN CCn1cc([C@@H](CC(=O)NCCN(C)C)c2cc(OC)cc(OC)c2)c2ccccc21 ZINC000006713923 569097690 /nfs/dbraw/zinc/09/76/90/569097690.db2.gz YDDUSEZUBOBBBV-QFIPXVFZSA-N 0 3 423.557 3.878 50 0 HHAAHN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCCN3CCCCCC3)c12 ZINC000006772886 569118198 /nfs/dbraw/zinc/11/81/98/569118198.db2.gz FXEBCQNWABJEBL-UHFFFAOYSA-N 0 3 405.546 3.952 50 0 HHAAHN CCOCCCNC(=O)N[C@@H](C)c1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000006877459 569164321 /nfs/dbraw/zinc/16/43/21/569164321.db2.gz HHIRBKULJVWRKA-INIZCTEOSA-N 0 3 404.580 3.704 50 0 HHAAHN COc1ccc(Cl)cc1CS(=O)(=O)C(C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000036390350 569165494 /nfs/dbraw/zinc/16/54/94/569165494.db2.gz KKURHEADHOMXPU-ZOMKSWQUSA-N 0 3 401.956 3.593 50 0 HHAAHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc(-c2ccnc(N3CCCC3)n2)cc1 ZINC000065171687 569190235 /nfs/dbraw/zinc/19/02/35/569190235.db2.gz FCOHRAVIGRMENF-OAQYLSRUSA-N 0 3 407.562 3.738 50 0 HHAAHN O=C(NCc1ccccc1Cl)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1 ZINC000065255999 569208161 /nfs/dbraw/zinc/20/81/61/569208161.db2.gz ANFSBJOZFKUWPJ-NRFANRHFSA-N 0 3 406.917 3.816 50 0 HHAAHN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)N1CCN2CCC[C@H]2C1 ZINC000036613311 569209212 /nfs/dbraw/zinc/20/92/12/569209212.db2.gz BNGCFVOYPKLCMQ-IBGZPJMESA-N 0 3 403.530 3.655 50 0 HHAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000065604711 569237177 /nfs/dbraw/zinc/23/71/77/569237177.db2.gz GENMROSVISJXQZ-XXBNENTESA-N 0 3 410.537 3.788 50 0 HHAAHN N[C@H](CNC(=O)CCCCc1ccc(I)cc1)c1ccccc1 ZINC000170676905 569297920 /nfs/dbraw/zinc/29/79/20/569297920.db2.gz QMDHWGAPJDNHPF-GOSISDBHSA-N 0 3 422.310 3.820 50 0 HHAAHN CN(C)Cc1ccc(CNC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 ZINC000040103421 571164037 /nfs/dbraw/zinc/16/40/37/571164037.db2.gz OZGJNKKETRNFOO-UHFFFAOYSA-N 0 3 402.926 3.560 50 0 HHAAHN CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)NCCN3CCCC[C@H]3C)c2)C1 ZINC000245237876 571219640 /nfs/dbraw/zinc/21/96/40/571219640.db2.gz BKOBBYMKNYHCKH-KNQAVFIVSA-N 0 3 414.594 3.588 50 0 HHAAHN Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccccn2)s1 ZINC000009348010 571250388 /nfs/dbraw/zinc/25/03/88/571250388.db2.gz YMAUOFOEZCXBJO-OAHLLOKOSA-N 0 3 410.842 3.751 50 0 HHAAHN Cc1cc(S(=O)(=O)[N-]CC2CCN(c3cc[nH+]cc3)CC2)c(Cl)cc1Cl ZINC000070922276 571281959 /nfs/dbraw/zinc/28/19/59/571281959.db2.gz PJPDWIBYQVSDHZ-UHFFFAOYSA-N 0 3 414.358 3.892 50 0 HHAAHN CCN1CCN(CCCNC(=O)Cn2c(-c3cccs3)cc3ccccc32)CC1 ZINC000022795480 571315414 /nfs/dbraw/zinc/31/54/14/571315414.db2.gz JAJZNTDJJGEWOB-UHFFFAOYSA-N 0 3 410.587 3.514 50 0 HHAAHN O=C(NC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@@H]12 ZINC000035871505 571317011 /nfs/dbraw/zinc/31/70/11/571317011.db2.gz HYJDCEDDPYFPOB-QUCCMNQESA-N 0 3 407.480 3.590 50 0 HHAAHN COc1ccc(-c2cc(C(=O)N(C)[C@H]3CCCN(CCc4ccccc4)C3)[nH]n2)cc1 ZINC000011819102 962197577 /nfs/dbraw/zinc/19/75/77/962197577.db2.gz SMQIVJQBFNDWOP-NRFANRHFSA-N 0 3 418.541 3.864 50 0 HHAAHN O=C([C@H]1CC12CCN(Cc1ccc3c(c1)CCO3)CC2)N1CCc2ccccc2C1 ZINC000012122659 962242282 /nfs/dbraw/zinc/24/22/82/962242282.db2.gz XKHUYWXIFANGTN-HSZRJFAPSA-N 0 3 402.538 3.809 50 0 HHAAHN CN(C)c1ncc(CN2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)s1 ZINC000012467644 962284695 /nfs/dbraw/zinc/28/46/95/962284695.db2.gz SGJAMJXECQHAMK-OAHLLOKOSA-N 0 3 422.545 3.796 50 0 HHAAHN COc1ccc2c(c1)C=C([C@@H]1C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCCN14)CO2 ZINC000012612383 962302012 /nfs/dbraw/zinc/30/20/12/962302012.db2.gz MDQKNUCUTOGXNR-JTJYXVOQSA-N 0 3 402.494 3.741 50 0 HHAAHN c1cnc2c(c1)nc([C@H]1CCCO1)n2C1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000299756861 970721008 /nfs/dbraw/zinc/72/10/08/970721008.db2.gz GNRJWCZRYKQIKF-OAQYLSRUSA-N 0 3 420.513 3.891 50 0 HHAAHN Cc1cc(NC(=O)CCN2CCN(c3ccccc3)CC2)ccc1Br ZINC000004706829 132284446 /nfs/dbraw/zinc/28/44/46/132284446.db2.gz KPOJMFKPLOGCCA-UHFFFAOYSA-N 0 3 402.336 3.908 50 0 HHAAHN CCOc1ccccc1CN1CCC(N2CCN(c3ccccc3OC)CC2)CC1 ZINC000004712102 132285262 /nfs/dbraw/zinc/28/52/62/132285262.db2.gz YWARWDVCGFNPOX-UHFFFAOYSA-N 0 3 409.574 3.881 50 0 HHAAHN CCN(C[C@@H]1COc2ccccc2O1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000032779364 521232811 /nfs/dbraw/zinc/23/28/11/521232811.db2.gz FCHDMZWQBGCHSY-OAQYLSRUSA-N 0 3 409.530 3.523 50 0 HHAAHN CCOc1ccccc1/C=C/C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000032915643 521448321 /nfs/dbraw/zinc/44/83/21/521448321.db2.gz QUBBCURFVWRKFZ-BUHFOSPRSA-N 0 3 407.558 3.552 50 0 HHAAHN COc1ccc(CCNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N2CCCC2)cc1OC ZINC000032754960 523964186 /nfs/dbraw/zinc/96/41/86/523964186.db2.gz NQASDOHJALQZOZ-MBSDFSHPSA-N 0 3 411.546 3.771 50 0 HHAAHN CSc1ccccc1CN1CCC(CNC(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000043991303 526156780 /nfs/dbraw/zinc/15/67/80/526156780.db2.gz PMCJEILIERUFKA-NRFANRHFSA-N 0 3 412.555 3.577 50 0 HHAAHN CSc1ccccc1CN1CCC(CNS(=O)(=O)Cc2ccccc2)CC1 ZINC000043959468 526157525 /nfs/dbraw/zinc/15/75/25/526157525.db2.gz QMQOIHHKNWOWOQ-UHFFFAOYSA-N 0 3 404.601 3.740 50 0 HHAAHN CSc1ccccc1CN1CCC(CNC(=O)COc2ccccc2F)CC1 ZINC000043991267 526158937 /nfs/dbraw/zinc/15/89/37/526158937.db2.gz IXHLNFBFBRLOKO-UHFFFAOYSA-N 0 3 402.535 3.955 50 0 HHAAHN CSc1ccccc1CN1CCC(CNC(=O)c2cnc3ccccc3n2)CC1 ZINC000043991287 526159076 /nfs/dbraw/zinc/15/90/76/526159076.db2.gz PXAHZPJAJAXPPP-UHFFFAOYSA-N 0 3 406.555 3.994 50 0 HHAAHN OCC[C@@H]1CN(C2CCN(c3ccccc3)CC2)CCN1Cc1ccc(F)c(F)c1 ZINC000020600936 527564196 /nfs/dbraw/zinc/56/41/96/527564196.db2.gz LOGUSFOQXAHZOA-JOCHJYFZSA-N 0 3 415.528 3.502 50 0 HHAAHN Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc43)CC1)CCCC2 ZINC000000538312 557018371 /nfs/dbraw/zinc/01/83/71/557018371.db2.gz RAPZEAPATHNIPO-UHFFFAOYSA-N 0 3 410.493 3.590 50 0 fda HHAAHN CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O ZINC000002572278 557357376 /nfs/dbraw/zinc/35/73/76/557357376.db2.gz QHJLPOSPWKZACG-UHFFFAOYSA-N 0 3 409.505 3.559 50 0 in-man HHAAHN CC(C)CCn1c2ccccc2nc1N1CCC[C@H](C(=O)NCCN2CCCC2)C1 ZINC000034906800 557474287 /nfs/dbraw/zinc/47/42/87/557474287.db2.gz IGHFWBVAXGDSBH-FQEVSTJZSA-N 0 3 411.594 3.511 50 0 HHAAHN C[C@@H](CN(C)Cc1ccccc1)OC(=O)c1ccccc1I ZINC000004489117 557559439 /nfs/dbraw/zinc/55/94/39/557559439.db2.gz AZLNEGKRNAPIKU-AWEZNQCLSA-N 0 3 409.267 3.969 50 0 HHAAHN Cc1c(Cl)cccc1-c1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)o1 ZINC000019796849 558284491 /nfs/dbraw/zinc/28/44/91/558284491.db2.gz CAXIYXWBBGKNKT-UHFFFAOYSA-N 0 3 404.919 3.888 50 0 HHAAHN CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)Cn1cc2ccccc2n1 ZINC000011838262 558285430 /nfs/dbraw/zinc/28/54/30/558285430.db2.gz YDRJCSKEGDQOJG-LJQANCHMSA-N 0 3 408.521 3.589 50 0 HHAAHN CC(C)c1ccc(CN2CCC[C@]3(CCN(C(=O)CCc4cnn(C)c4)C3)C2)cc1 ZINC000011839570 558286155 /nfs/dbraw/zinc/28/61/55/558286155.db2.gz BUWZMFOVPMTYDW-VWLOTQADSA-N 0 3 408.590 3.991 50 0 HHAAHN CN(Cc1cscn1)C(=O)[C@@H]1CC12CCN(Cc1cn(C)c3ccccc13)CC2 ZINC000011881538 558295255 /nfs/dbraw/zinc/29/52/55/558295255.db2.gz ZXCYWQGODADRLZ-FQEVSTJZSA-N 0 3 408.571 3.896 50 0 HHAAHN CCOC(=O)Cc1c(CN2CCN(C)CC2)c2ccccc2n1Cc1ccccc1 ZINC000019857338 558296544 /nfs/dbraw/zinc/29/65/44/558296544.db2.gz KTLJJQUGOZBMBX-UHFFFAOYSA-N 0 3 405.542 3.543 50 0 HHAAHN CN(Cc1ccccc1)C[C@@H](O)COc1ccc(CNCc2ccccc2F)cc1 ZINC000012058649 558317067 /nfs/dbraw/zinc/31/70/67/558317067.db2.gz UISZCTSTBQCREM-HSZRJFAPSA-N 0 3 408.517 3.987 50 0 HHAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)Cc1c(C)noc1C ZINC000012076036 558319946 /nfs/dbraw/zinc/31/99/46/558319946.db2.gz IXJIVEYAOTYGTM-OAQYLSRUSA-N 0 3 413.562 3.646 50 0 HHAAHN O=C(NCCN1CCC[C@@H](c2ccccc2)C1)c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000012090951 558324074 /nfs/dbraw/zinc/32/40/74/558324074.db2.gz SAENULSHNODELC-HXUWFJFHSA-N 0 3 423.948 3.589 50 0 HHAAHN O=C1CC[C@@H](CCNCc2cc3c(cc2Cl)OCO3)N1CCCc1ccncc1 ZINC000012246943 558361678 /nfs/dbraw/zinc/36/16/78/558361678.db2.gz URVPQDOWKBGPAF-SFHVURJKSA-N 0 3 415.921 3.567 50 0 HHAAHN COc1ccc(-c2nn(-c3ccccc3C)cc2CN[C@@H](C)Cn2cncn2)cc1F ZINC000012298249 558368166 /nfs/dbraw/zinc/36/81/66/558368166.db2.gz BXLBMGRPVZWOMK-KRWDZBQOSA-N 0 3 420.492 3.765 50 0 HHAAHN C[C@H]1CCCN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn32)C1 ZINC000012301129 558370947 /nfs/dbraw/zinc/37/09/47/558370947.db2.gz VWDDKSRBBGCSLF-FQEVSTJZSA-N 0 3 423.605 3.657 50 0 HHAAHN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CNCc1cc(C(C)(C)C)[nH]n1 ZINC000012301262 558370972 /nfs/dbraw/zinc/37/09/72/558370972.db2.gz AOALHPSZXIHZCA-UHFFFAOYSA-N 0 3 422.577 3.969 50 0 HHAAHN CCN1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2cccc(C)c2C)C1=O ZINC000020533482 558384653 /nfs/dbraw/zinc/38/46/53/558384653.db2.gz ZIVHAMCYCQHPMW-QZMYASAMSA-N 0 3 403.526 3.905 50 0 HHAAHN CN(C(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)[C@@H]1CCN(C)C1 ZINC000012434203 558408182 /nfs/dbraw/zinc/40/81/82/558408182.db2.gz PJYXNHSNWJTANF-CQSZACIVSA-N 0 3 408.449 3.858 50 0 HHAAHN CCN1CCN(C2CCN(c3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3)CC2)CC1 ZINC000020782996 558413179 /nfs/dbraw/zinc/41/31/79/558413179.db2.gz CHGKDFGMJBPNMR-NRFANRHFSA-N 0 3 420.601 3.784 50 0 HHAAHN COCCNC(=O)c1ccc(OC2CCN(Cc3ccccc3)CC2)c(Cl)c1 ZINC000012470948 558422112 /nfs/dbraw/zinc/42/21/12/558422112.db2.gz JDSOBLKXCUNPRG-UHFFFAOYSA-N 0 3 402.922 3.760 50 0 HHAAHN CCOC[C@@H](O)CNCc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl ZINC000012712444 558453325 /nfs/dbraw/zinc/45/33/25/558453325.db2.gz NCEGWFVOFNLAKW-SFHVURJKSA-N 0 3 403.885 3.819 50 0 HHAAHN O=C(CN[C@H](c1cccs1)c1ccc(F)cc1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000012802738 558472230 /nfs/dbraw/zinc/47/22/30/558472230.db2.gz VRXMMHHXBXJTRR-QPPBQGQZSA-N 0 3 423.557 3.957 50 0 HHAAHN c1[nH]nc(-c2cccc3ccccc32)c1CNC[C@H](c1ccncc1)N1CCOCC1 ZINC000022913118 558520270 /nfs/dbraw/zinc/52/02/70/558520270.db2.gz XZEAKBGYMXVTKS-XMMPIXPASA-N 0 3 413.525 3.788 50 0 HHAAHN Cn1nnnc1SCCNCc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000013494779 558534846 /nfs/dbraw/zinc/53/48/46/558534846.db2.gz LFLRGAAXIAHHDL-UHFFFAOYSA-N 0 3 423.517 3.963 50 0 HHAAHN COc1ccc(CN2CCN(Cc3cccc4cccnc43)C[C@@H]2CCO)cc1C ZINC000023374082 558553932 /nfs/dbraw/zinc/55/39/32/558553932.db2.gz VVVGLEUFUMRMIO-QHCPKHFHSA-N 0 3 405.542 3.621 50 0 HHAAHN OCC[C@H]1CN(C2CCN(c3ccccc3)CC2)CCN1CCCc1ccccc1 ZINC000023373902 558554224 /nfs/dbraw/zinc/55/42/24/558554224.db2.gz WZPORHGOAMRKDK-SANMLTNESA-N 0 3 407.602 3.657 50 0 HHAAHN CSc1ccc(N2C[C@@H](C(=O)NC[C@H](c3ccccc3)N3CCCC3)CC2=O)cc1 ZINC000025287786 558636810 /nfs/dbraw/zinc/63/68/10/558636810.db2.gz NBIGYDWDHMZCJE-SIKLNZKXSA-N 0 3 423.582 3.715 50 0 HHAAHN COc1ccc(CN2CCC3(CC2)C(=O)N(CC(C)C)C(=O)N3CCC(C)C)cc1 ZINC000014537887 558658761 /nfs/dbraw/zinc/65/87/61/558658761.db2.gz ZLVSUWRKFVZDCE-UHFFFAOYSA-N 0 3 415.578 3.996 50 0 HHAAHN COc1ccc(C(=O)Nc2cccc(CNC[C@@H]3COc4ccccc4O3)c2)cc1 ZINC000026305060 558658893 /nfs/dbraw/zinc/65/88/93/558658893.db2.gz JOLIELSHBZMONY-OAQYLSRUSA-N 0 3 404.466 3.877 50 0 HHAAHN CC(C)N1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccccc3)CC2)C1=O ZINC000014744105 558668259 /nfs/dbraw/zinc/66/82/59/558668259.db2.gz JKVPZQHIPIJCOW-UHFFFAOYSA-N 0 3 405.542 3.937 50 0 HHAAHN CN(C)C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccccc1 ZINC000027150489 558670279 /nfs/dbraw/zinc/67/02/79/558670279.db2.gz KDLLNOFSDNBCAF-JOCHJYFZSA-N 0 3 419.525 3.648 50 0 HHAAHN CCN(CC)[C@H](CNC(=O)c1nn(-c2ccc(C)c(C)c2)ccc1=O)c1ccccc1 ZINC000028292067 558697902 /nfs/dbraw/zinc/69/79/02/558697902.db2.gz PJBBMQVUXBLILZ-JOCHJYFZSA-N 0 3 418.541 3.662 50 0 HHAAHN C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCCCN2CCN(Cc3ccccc3)CC2)o1 ZINC000072277370 558703280 /nfs/dbraw/zinc/70/32/80/558703280.db2.gz LPDKOVIRMUYWOW-REWPJTCUSA-N 0 3 409.574 3.660 50 0 HHAAHN CN(C)C[C@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1ccccc1 ZINC000028971551 558708210 /nfs/dbraw/zinc/70/82/10/558708210.db2.gz JRWNHMFFAXYRSQ-WMZOPIPTSA-N 0 3 403.935 3.562 50 0 HHAAHN COc1ccccc1OCC(=O)NC[C@@H]1CCCN(C/C=C/c2ccc(F)cc2)C1 ZINC000015078346 558717641 /nfs/dbraw/zinc/71/76/41/558717641.db2.gz WRZGLTKZVPPUAJ-XXIDSNJLSA-N 0 3 412.505 3.755 50 0 HHAAHN CCCN1CCN(CCCNC(=O)c2ccc(-n3ccc4ccccc43)s2)CC1 ZINC000022937356 558724673 /nfs/dbraw/zinc/72/46/73/558724673.db2.gz XSZGEBNRZILURK-UHFFFAOYSA-N 0 3 410.587 3.840 50 0 HHAAHN Fc1ccc([C@@H](CNCc2ccccc2OCc2cccnc2)N2CCOCC2)cc1 ZINC000030544858 558732479 /nfs/dbraw/zinc/73/24/79/558732479.db2.gz FDNJRKVRWQDZNP-XMMPIXPASA-N 0 3 421.516 3.963 50 0 HHAAHN COCCN1CCC(CNC(=O)c2cccc(NCc3sccc3C)c2)CC1 ZINC000055281517 558878454 /nfs/dbraw/zinc/87/84/54/558878454.db2.gz GWWNHDQXKULTDT-UHFFFAOYSA-N 0 3 401.576 3.757 50 0 HHAAHN O=C(NC[C@@H]1CCCCN1Cc1ccccc1)c1cccc(CN2CCCC2=O)c1 ZINC000057994489 558893353 /nfs/dbraw/zinc/89/33/53/558893353.db2.gz FGNQETTXZBFINL-QHCPKHFHSA-N 0 3 405.542 3.594 50 0 HHAAHN O=C(NC[C@H]1CCCCN1Cc1ccccc1)c1cccc(CN2CCCC2=O)c1 ZINC000057994484 558893439 /nfs/dbraw/zinc/89/34/39/558893439.db2.gz FGNQETTXZBFINL-HSZRJFAPSA-N 0 3 405.542 3.594 50 0 HHAAHN CCOC(=O)C1(c2ccccc2)CCN(CCC(=O)Nc2ccccc2OC)CC1 ZINC000004690200 558899752 /nfs/dbraw/zinc/89/97/52/558899752.db2.gz SSCJYBBWLJSXSP-UHFFFAOYSA-N 0 3 410.514 3.621 50 0 HHAAHN CCOC(=O)C1(c2ccccc2)CCN(CCC(=O)Nc2ccc(OC)cc2)CC1 ZINC000004694365 558904106 /nfs/dbraw/zinc/90/41/06/558904106.db2.gz LGXGQDAJELHLHT-UHFFFAOYSA-N 0 3 410.514 3.621 50 0 HHAAHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1nnc(C2CC2)s1 ZINC000058183514 558910432 /nfs/dbraw/zinc/91/04/32/558910432.db2.gz BGOJPQNVEUMVGW-MRXNPFEDSA-N 0 3 401.536 3.640 50 0 HHAAHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000058365064 558922193 /nfs/dbraw/zinc/92/21/93/558922193.db2.gz PVCMCJVMBOCTPR-UHFFFAOYSA-N 0 3 406.910 3.946 50 0 HHAAHN Cc1cccc(-c2noc(CN(C)C(=O)C3CCN(Cc4ccccc4)CC3)n2)c1 ZINC000067614219 558989478 /nfs/dbraw/zinc/98/94/78/558989478.db2.gz PZPSNVKGXJXABE-UHFFFAOYSA-N 0 3 404.514 3.916 50 0 HHAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)n1 ZINC000067622549 558989876 /nfs/dbraw/zinc/98/98/76/558989876.db2.gz VZJSONOBLIJRNF-UHFFFAOYSA-N 0 3 415.541 3.891 50 0 HHAAHN O=C1CC2(CN1Cc1ccccc1)CCN(Cc1ccc(-n3ccnc3)cc1)CC2 ZINC000095519785 559085066 /nfs/dbraw/zinc/08/50/66/559085066.db2.gz YKTKLWNMIGWSCB-UHFFFAOYSA-N 0 3 400.526 3.887 50 0 HHAAHN Cc1ccccc1N1CCN([C@H]2CCCN(Cc3cccn3-c3ccccn3)C2)CC1 ZINC000097468994 559118963 /nfs/dbraw/zinc/11/89/63/559118963.db2.gz AFJONKXKVPKHIE-QHCPKHFHSA-N 0 3 415.585 3.967 50 0 HHAAHN COc1ccc(NC(=O)c2cc3cc4c5c(c3oc2=N)CCCN5CCC4)c(OC)c1 ZINC000004921955 559206848 /nfs/dbraw/zinc/20/68/48/559206848.db2.gz MYCHZRCVLWHNNE-UHFFFAOYSA-N 0 3 419.481 3.881 50 0 HHAAHN O=C(/C=C1\Sc2ccccc2NC1=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC000004931829 559209808 /nfs/dbraw/zinc/20/98/08/559209808.db2.gz SKFHECXRDHFFTF-XLNRJJMWSA-N 0 3 421.566 3.686 50 0 HHAAHN CCn1c(=O)cc(SCC(=O)NCCCN(C)Cc2ccccc2)c2ccccc21 ZINC000004936619 559211923 /nfs/dbraw/zinc/21/19/23/559211923.db2.gz HZFQVPPMBGGJNK-UHFFFAOYSA-N 0 3 423.582 3.752 50 0 HHAAHN CCOC(=O)CCCN(CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)CC(C)C ZINC000005095566 559244950 /nfs/dbraw/zinc/24/49/50/559244950.db2.gz NKXVHSCBZRAWKS-OAQYLSRUSA-N 0 3 410.555 3.701 50 0 HHAAHN CC[C@@H]1CCCCN1Cc1ccc(CNC(=O)c2c(C)oc3c2C2=NCCN2C=N3)o1 ZINC000100696402 559257051 /nfs/dbraw/zinc/25/70/51/559257051.db2.gz KWPVOQNWZGESIV-MRXNPFEDSA-N 0 3 423.517 3.611 50 0 HHAAHN CN(Cc1cccnc1)C[C@@H]1CCN(CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000252488784 559277520 /nfs/dbraw/zinc/27/75/20/559277520.db2.gz IYXKAUUZZZYFJN-FQEVSTJZSA-N 0 3 404.599 3.871 50 0 HHAAHN CCC1CCC(N(CC(=O)N[C@@H](C)C(=O)N(C)C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000078806156 560540739 /nfs/dbraw/zinc/54/07/39/560540739.db2.gz CWVNGBSHLZZPPF-IRDVNMAFSA-N 0 3 405.558 3.750 50 0 HHAAHN CCN1CCC[C@@H]1CN/C=C1/c2ccccc2C(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000101189272 560788992 /nfs/dbraw/zinc/78/89/92/560788992.db2.gz FTUCIZNIMGFHOE-CCQQXMDGSA-N 0 3 403.526 3.905 50 0 HHAAHN O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000106576344 560892675 /nfs/dbraw/zinc/89/26/75/560892675.db2.gz LRKYTJGKSXCYDT-WOJBJXKFSA-N 0 3 413.512 3.820 50 0 HHAAHN O=C(NCc1ccccc1CN1CCCCC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000048221538 568432466 /nfs/dbraw/zinc/43/24/66/568432466.db2.gz HFTHEDRJGSYDLB-NRFANRHFSA-N 0 3 406.574 3.998 50 0 HHAAHN Cc1cccc(N2CCN(CC[C@@H](C)NC(=O)c3ccccc3-n3cccn3)CC2)c1 ZINC000048340837 568440355 /nfs/dbraw/zinc/44/03/55/568440355.db2.gz IDBSKLFGBQDOFH-OAQYLSRUSA-N 0 3 417.557 3.511 50 0 HHAAHN C[C@@H]1C[C@H](C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)CCC1=O ZINC000095447029 568612109 /nfs/dbraw/zinc/61/21/09/568612109.db2.gz QMIZSJPTEGBPQM-TZIWHRDSSA-N 0 3 405.542 3.953 50 0 HHAAHN C[C@@]1(COC(=O)c2ccc(CS(C)(=O)=O)cc2)CCCCN1Cc1ccccc1 ZINC000095469299 568625456 /nfs/dbraw/zinc/62/54/56/568625456.db2.gz IMNOGQOFJGFLCI-QHCPKHFHSA-N 0 3 415.555 3.833 50 0 HHAAHN O=C(c1ccccc1)N1c2ccccc2C[C@H]1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000021018730 568658063 /nfs/dbraw/zinc/65/80/63/568658063.db2.gz RWVTWMGNYVSTBF-DEOSSOPVSA-N 0 3 417.553 3.735 50 0 HHAAHN CN(CCC(=O)Nc1ccc(Br)cc1F)Cc1ccc2c(c1)OCCO2 ZINC000022199048 568765276 /nfs/dbraw/zinc/76/52/76/568765276.db2.gz PEAROIOOXMSHHB-UHFFFAOYSA-N 0 3 423.282 3.820 50 0 HHAAHN Cn1nnnc1SCCNCc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000261491757 568820190 /nfs/dbraw/zinc/82/01/90/568820190.db2.gz HNOFIJFLRJZDAE-UHFFFAOYSA-N 0 3 412.950 3.748 50 0 HHAAHN C[C@@H](NCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccco1 ZINC000057435057 568836583 /nfs/dbraw/zinc/83/65/83/568836583.db2.gz ZDMVQSSFTYQNHF-HXUWFJFHSA-N 0 3 418.541 3.891 50 0 HHAAHN C[C@H]1CN(Cc2ccccc2)CC[C@@]1(Nc1ccc(Br)cc1)C(N)=O ZINC000230142477 568852398 /nfs/dbraw/zinc/85/23/98/568852398.db2.gz LSKQHNKOLJTEPH-YWZLYKJASA-N 0 3 402.336 3.627 50 0 HHAAHN O=C(C[C@H](c1cccs1)n1cccc1)NCc1ccccc1CN1CCC[C@H]1CO ZINC000230247872 568856561 /nfs/dbraw/zinc/85/65/61/568856561.db2.gz QZBGWHXOWHIDJF-FCHUYYIVSA-N 0 3 423.582 3.802 50 0 HHAAHN O=C(NC1CCN(Cc2ccccc2)CC1)N[C@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000031662848 568929101 /nfs/dbraw/zinc/92/91/01/568929101.db2.gz PNIAURQIGNOZNL-RBUKOAKNSA-N 0 3 413.484 3.840 50 0 HHAAHN CCOC(=O)N1CCC[C@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)C1 ZINC000084793552 568959854 /nfs/dbraw/zinc/95/98/54/568959854.db2.gz LGKDBUJYOXWBAU-IBGZPJMESA-N 0 3 421.969 3.633 50 0 HHAAHN CC[C@@H](C)N(CCNC(=O)c1nn(C)c2c1COc1ccccc1-2)Cc1ccco1 ZINC000015674415 568962840 /nfs/dbraw/zinc/96/28/40/568962840.db2.gz JGVZIHYDWOWZQP-MRXNPFEDSA-N 0 3 408.502 3.603 50 0 HHAAHN O=C(CCc1ncc(-c2c(F)cccc2F)o1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000012823726 569007524 /nfs/dbraw/zinc/00/75/24/569007524.db2.gz JUWDXVPFXBONNP-QGZVFWFLSA-N 0 3 411.452 3.943 50 0 HHAAHN Cc1ccc(CN2CCC3(CC2)N=C(c2ccc(Br)cc2)C(=O)N3)cc1 ZINC000035430958 569037016 /nfs/dbraw/zinc/03/70/16/569037016.db2.gz YZISUQGRKWYHDW-UHFFFAOYSA-N 0 3 412.331 3.669 50 0 HHAAHN CCOc1ccc(C)cc1S(=O)(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000023127726 569047102 /nfs/dbraw/zinc/04/71/02/569047102.db2.gz LDTXHROVMNEVRB-UHFFFAOYSA-N 0 3 408.589 3.646 50 0 HHAAHN COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000012997286 569048202 /nfs/dbraw/zinc/04/82/02/569048202.db2.gz AYHKUOXDIGOUHH-GOSISDBHSA-N 0 3 410.514 3.543 50 0 HHAAHN COc1ccc(N2OC3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000239038589 569053969 /nfs/dbraw/zinc/05/39/69/569053969.db2.gz DMTLHMBJHHIBLA-VSKRKVRLSA-N 0 3 418.424 3.885 50 0 HHAAHN CCC(CC)C(=O)N(CCN(C)C)Cc1cc(NC(=O)NC(C)C)ccc1N(C)C ZINC000006722339 569099478 /nfs/dbraw/zinc/09/94/78/569099478.db2.gz OHLMUOXJYDONPY-UHFFFAOYSA-N 0 3 419.614 3.609 50 0 HHAAHN Cc1ccc(Oc2nccnc2SCC(=O)NCCN2CCCCCC2)cc1 ZINC000065111028 569178813 /nfs/dbraw/zinc/17/88/13/569178813.db2.gz CGXXIIAISOEHMD-UHFFFAOYSA-N 0 3 400.548 3.662 50 0 HHAAHN COc1ccc(CN[C@@H]2CCN(c3ccc(C(=O)Nc4ccc(F)cc4)cn3)C2)cc1 ZINC000065257017 569208500 /nfs/dbraw/zinc/20/85/00/569208500.db2.gz UMZDBIHBAWNKRN-OAQYLSRUSA-N 0 3 420.488 3.850 50 0 HHAAHN CCN(Cc1cccs1)C(=O)CCCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000170595758 569241672 /nfs/dbraw/zinc/24/16/72/569241672.db2.gz BKODUMQVBXHOHV-UHFFFAOYSA-N 0 3 409.596 3.866 50 0 HHAAHN O=C(C[C@H](c1cccs1)n1cccc1)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000170610649 569245310 /nfs/dbraw/zinc/24/53/10/569245310.db2.gz QZBGWHXOWHIDJF-FGZHOGPDSA-N 0 3 423.582 3.802 50 0 HHAAHN O=C(NCCN1CCCCC1)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000013579384 569256224 /nfs/dbraw/zinc/25/62/24/569256224.db2.gz OMUGZPQTSMRGJQ-QJOMJCCJSA-N 0 3 416.525 3.541 50 0 HHAAHN Cc1cccc2c1cnn2C(=O)CCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000006750251 569260263 /nfs/dbraw/zinc/26/02/63/569260263.db2.gz ULCYDUFTKXQMKD-UHFFFAOYSA-N 0 3 404.514 3.546 50 0 HHAAHN O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@H]1COc2ccccc2C1 ZINC000089857886 569267152 /nfs/dbraw/zinc/26/71/52/569267152.db2.gz LAIVNCLZGAUMQY-GOSISDBHSA-N 0 3 414.933 3.551 50 0 HHAAHN CCO[C@H](O)[C@@H]1N[C@H](c2ccc(C(F)(F)F)cc2)C([N+](=O)[O-])[C@H]1c1ccccc1 ZINC000252626950 569310634 /nfs/dbraw/zinc/31/06/34/569310634.db2.gz RJAMVXLGGRZFAI-VHPHOLNESA-N 0 3 410.392 3.502 50 0 HHAAHN CC(C)N1CCN([C@@H]2CCOC3(CCN(C(=O)CCC4CCCC4)CC3)C2)CC1 ZINC000581819766 569320747 /nfs/dbraw/zinc/32/07/47/569320747.db2.gz JSTIRNGQEBXBOV-JOCHJYFZSA-N 0 3 405.627 3.523 50 0 HHAAHN CCCCN(C[C@@H](O)COc1cccc(C)c1)C[C@H](O)COc1cccc(C)c1 ZINC000013149383 569410108 /nfs/dbraw/zinc/41/01/08/569410108.db2.gz LGFPCLMEHARZNY-SZPZYZBQSA-N 0 3 401.547 3.585 50 0 HHAAHN CN(C)CCN(C(=O)Nc1ccc(-n2cncn2)c(C(F)(F)F)c1)C1CCCC1 ZINC000079052690 569425722 /nfs/dbraw/zinc/42/57/22/569425722.db2.gz VAMRJXWETUQJCP-UHFFFAOYSA-N 0 3 410.444 3.624 50 0 HHAAHN Nc1c(-c2ccc(F)cc2)nsc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000067334798 571079442 /nfs/dbraw/zinc/07/94/42/571079442.db2.gz PMOGFYYKGFSORL-UHFFFAOYSA-N 0 3 410.518 3.926 50 0 HHAAHN O=C(NCCN1CCCC[C@H]1CO)c1ccccc1SCc1ccc(F)cc1 ZINC000670473388 571105756 /nfs/dbraw/zinc/10/57/56/571105756.db2.gz MVCVYKBXPNDQLF-IBGZPJMESA-N 0 3 402.535 3.695 50 0 HHAAHN CC(C)NC(=O)[C@@H]1C[C@@H](NCc2ccc(F)cc2F)CN1Cc1cccc(Cl)c1 ZINC000039550978 571132834 /nfs/dbraw/zinc/13/28/34/571132834.db2.gz PECYNMPOKKGGNH-CTNGQTDRSA-N 0 3 421.919 3.876 50 0 HHAAHN CN(C)Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000040121105 571176973 /nfs/dbraw/zinc/17/69/73/571176973.db2.gz UHHCTXZRVNDXIP-KRWDZBQOSA-N 0 3 419.447 3.754 50 0 HHAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CNCc1ccc(CN2CCOCC2)cc1 ZINC000009387985 571254312 /nfs/dbraw/zinc/25/43/12/571254312.db2.gz RBXQVJFGRLIDPK-UHFFFAOYSA-N 0 3 408.521 3.750 50 0 HHAAHN CCN(CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@@H]1c1cccc(F)c1 ZINC000010233203 571297613 /nfs/dbraw/zinc/29/76/13/571297613.db2.gz NBBNGYLJMBVTEZ-NRFANRHFSA-N 0 3 424.472 3.828 50 0 HHAAHN COc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)N2CCCC2)cc1 ZINC000010333907 571300589 /nfs/dbraw/zinc/30/05/89/571300589.db2.gz UCKWIEGWKYFQSJ-HSZRJFAPSA-N 0 3 417.509 3.740 50 0 HHAAHN CN(C)[C@H](CNC(=O)c1cc(-c2ccc(F)cc2)nn1C)c1cn(C)c2ccccc12 ZINC000077200995 571313331 /nfs/dbraw/zinc/31/33/31/571313331.db2.gz MALZCGNYDYQILA-HSZRJFAPSA-N 0 3 419.504 3.751 50 0 HHAAHN O=C(NC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@@H]12 ZINC000035871504 571317084 /nfs/dbraw/zinc/31/70/84/571317084.db2.gz HYJDCEDDPYFPOB-ICSRJNTNSA-N 0 3 407.480 3.590 50 0 HHAAHN O=C(NCCN1CCC[C@H](c2ccccc2)C1)c1cn(CCCc2ccccc2)nn1 ZINC000011813121 962197340 /nfs/dbraw/zinc/19/73/40/962197340.db2.gz NHLLJAFMIVHTPO-QHCPKHFHSA-N 0 3 417.557 3.520 50 0 HHAAHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)CCc4ccccn4)C3)C2)c1OC ZINC000011933412 962210765 /nfs/dbraw/zinc/21/07/65/962210765.db2.gz WTQYFIMKLDVEAT-VWLOTQADSA-N 0 3 423.557 3.546 50 0 HHAAHN COc1ccc(CN2C(=O)c3cccc(N4CCN(CC(C)(C)C)CC4)c3C2=O)cc1 ZINC000012244950 962257524 /nfs/dbraw/zinc/25/75/24/962257524.db2.gz JGAVVNUJRGCUES-UHFFFAOYSA-N 0 3 421.541 3.660 50 0 HHAAHN COC(=O)c1cccc(C(=O)N2CC[C@]3(C2)CCCN(Cc2cccc(OC)c2)C3)c1 ZINC000012433175 962278644 /nfs/dbraw/zinc/27/86/44/962278644.db2.gz OZIHAHGGIWIKPE-RUZDIDTESA-N 0 3 422.525 3.610 50 0 HHAAHN Cc1[nH]nc(CCC(=O)N2CC[C@]3(C2)CCCN(Cc2cccc(F)c2F)C3)c1C ZINC000015070663 962647077 /nfs/dbraw/zinc/64/70/77/962647077.db2.gz OHOKUOOBGCXWGS-HSZRJFAPSA-N 0 3 416.516 3.752 50 0 HHAAHN Cc1c(CN2CCC[C@H](COc3ccccc3C(=O)N3CCCCC3)C2)cnn1C ZINC000169774380 970478157 /nfs/dbraw/zinc/47/81/57/970478157.db2.gz SHYTZDVPQMAVLJ-FQEVSTJZSA-N 0 3 410.562 3.646 50 0 HHAAHN Cc1cc(C)c2c(nn3c2nc(C)cc3N2CCN(CCc3ccccc3)CC2)n1 ZINC000002212695 132249608 /nfs/dbraw/zinc/24/96/08/132249608.db2.gz KMNBMLZFOISJHM-UHFFFAOYSA-N 0 3 400.530 3.567 50 0 HHAAHN c1ccc2c3nc(-c4cccnc4)nn3c(N3CCN(C4CCCCC4)CC3)nc2c1 ZINC000006805432 132317895 /nfs/dbraw/zinc/31/78/95/132317895.db2.gz WJWPVGRBOSWGPA-UHFFFAOYSA-N 0 3 413.529 3.794 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)CN3CCC[C@@H]3c3cccc(OC)c3)cc2)CC1 ZINC000010228049 132345466 /nfs/dbraw/zinc/34/54/66/132345466.db2.gz TZNCZDFGVJITRS-XMMPIXPASA-N 0 3 422.573 3.613 50 0 HHAAHN CC(C)NC(=O)[C@@H]1C[C@@H](NCc2ccc(F)cc2F)CN1Cc1ccccc1Cl ZINC000032533110 519714990 /nfs/dbraw/zinc/71/49/90/519714990.db2.gz QKEGFQFVVHLSAX-NQIIRXRSSA-N 0 3 421.919 3.876 50 0 HHAAHN CC(C)c1ccc(N2C[C@@H](C(=O)NC3CCN(Cc4ccccc4)CC3)CC2=O)cc1 ZINC000040428082 519836738 /nfs/dbraw/zinc/83/67/38/519836738.db2.gz OQDDZKJLDUIAKO-QFIPXVFZSA-N 0 3 419.569 3.944 50 0 HHAAHN CCOc1cc(CN2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)ccc1O ZINC000020537393 520696140 /nfs/dbraw/zinc/69/61/40/520696140.db2.gz OCZVVGZDVOFFIZ-HXUWFJFHSA-N 0 3 413.537 3.717 50 0 HHAAHN Cc1cc(-c2nn(-c3ccccc3F)cc2CNCCN2CCOCC2)c(C)s1 ZINC000020210688 526058875 /nfs/dbraw/zinc/05/88/75/526058875.db2.gz UFYCJLBTIBTFQX-UHFFFAOYSA-N 0 3 414.550 3.779 50 0 HHAAHN COc1ccc2nc(C)cc(N3CCC(NS(=O)(=O)c4cccs4)CC3)c2c1 ZINC000009614199 537048464 /nfs/dbraw/zinc/04/84/64/537048464.db2.gz COPVMIUXCWMDPC-UHFFFAOYSA-N 0 3 417.556 3.561 50 0 HHAAHN Cc1cc([C@H]2C[C@H](C(=O)N3CCOCC3)CN(Cc3ccc(F)cc3)C2)ccc1F ZINC000034716777 557430148 /nfs/dbraw/zinc/43/01/48/557430148.db2.gz GZYJQPIIMAMLAA-SFTDATJTSA-N 0 3 414.496 3.738 50 0 HHAAHN Cc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)c2c1 ZINC000005274571 557642886 /nfs/dbraw/zinc/64/28/86/557642886.db2.gz OOMNOFGNBXCQKS-SFHVURJKSA-N 0 3 415.415 3.959 50 0 HHAAHN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000022680816 557767734 /nfs/dbraw/zinc/76/77/34/557767734.db2.gz MPFXOCYITZBPPZ-FXAWDEMLSA-N 0 3 417.575 3.685 50 0 HHAAHN CC(C)N1CCN(Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 ZINC000019741775 558262241 /nfs/dbraw/zinc/26/22/41/558262241.db2.gz NQJOXTLDVNDLDD-UHFFFAOYSA-N 0 3 418.541 3.853 50 0 HHAAHN COc1ccc(NC(=O)CC2C(=O)N(Cc3ccco3)c3nc4ccccc4n32)cc1 ZINC000019817603 558287949 /nfs/dbraw/zinc/28/79/49/558287949.db2.gz BWQOZLGODWZIRG-FQEVSTJZSA-N 0 3 416.437 3.755 50 0 HHAAHN CN(C[C@H]1CCCCN1C)C(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1 ZINC000011874514 558292299 /nfs/dbraw/zinc/29/22/99/558292299.db2.gz FYSREIDJKNPDEC-QGZVFWFLSA-N 0 3 424.467 3.555 50 0 HHAAHN CC1=C(CCN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)C(C)(C)CCC1 ZINC000012054349 558315087 /nfs/dbraw/zinc/31/50/87/558315087.db2.gz JHNXZDPRHOVKEL-GOSISDBHSA-N 0 3 401.599 3.886 50 0 HHAAHN CN(C(=O)CC[C@@H]1CCCN(Cc2ccccc2OC(F)F)C1)C1CCN(C)CC1 ZINC000012074354 558319195 /nfs/dbraw/zinc/31/91/95/558319195.db2.gz KZXLZAOUTRRLDT-SFHVURJKSA-N 0 3 423.548 3.833 50 0 HHAAHN COc1ccc(CN2CCN(Cc3c[nH]c4ccccc34)C[C@@H]2CCO)c(C)c1C ZINC000020453280 558367459 /nfs/dbraw/zinc/36/74/59/558367459.db2.gz CAHYPYMKZRFOOI-QFIPXVFZSA-N 0 3 407.558 3.862 50 0 HHAAHN Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000012306576 558375305 /nfs/dbraw/zinc/37/53/05/558375305.db2.gz XDWZQSFXSXZQIB-OAQYLSRUSA-N 0 3 416.525 3.966 50 0 HHAAHN CCn1nc(CC(C)C)cc1C(=O)N(C)[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012314969 558378395 /nfs/dbraw/zinc/37/83/95/558378395.db2.gz VUTCKPSHDYQOAX-QFIPXVFZSA-N 0 3 408.590 3.805 50 0 HHAAHN CCN1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000020517729 558383089 /nfs/dbraw/zinc/38/30/89/558383089.db2.gz PANHUMAEPJBRCQ-CQHJRZBDSA-N 0 3 409.917 3.942 50 0 HHAAHN CCN1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2cc(C)ccc2C)C1=O ZINC000020533157 558384306 /nfs/dbraw/zinc/38/43/06/558384306.db2.gz KOJJHCFJIIRFQB-NDWLXSOOSA-N 0 3 403.526 3.905 50 0 HHAAHN COc1cccc(C(=O)N(C)CC2CCN(CCc3ccc(F)cc3)CC2)c1OC ZINC000012429793 558404615 /nfs/dbraw/zinc/40/46/15/558404615.db2.gz UIONSVNTGJLMFN-UHFFFAOYSA-N 0 3 414.521 3.870 50 0 HHAAHN CCn1ccnc1CN(C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012433349 558407309 /nfs/dbraw/zinc/40/73/09/558407309.db2.gz PZPMXZPSMWXHAL-QFIPXVFZSA-N 0 3 414.569 3.935 50 0 HHAAHN CN(C(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)[C@H]1CCN(C)C1 ZINC000012434204 558408098 /nfs/dbraw/zinc/40/80/98/558408098.db2.gz PJYXNHSNWJTANF-AWEZNQCLSA-N 0 3 408.449 3.858 50 0 HHAAHN Cn1cc(CN[C@@H](Cn2ccnc2)c2ccccc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012437608 558409548 /nfs/dbraw/zinc/40/95/48/558409548.db2.gz WNXOAYMHTBLUKD-NRFANRHFSA-N 0 3 415.497 3.586 50 0 HHAAHN CN(Cc1cc[nH]n1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012446723 558414302 /nfs/dbraw/zinc/41/43/02/558414302.db2.gz WILPTBITWMNCIF-UHFFFAOYSA-N 0 3 418.541 3.768 50 0 HHAAHN COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(Cc3c[nH]c4ccccc34)C2)c1 ZINC000012584262 558433694 /nfs/dbraw/zinc/43/36/94/558433694.db2.gz ABSYTHRBOWGRFO-QGZVFWFLSA-N 0 3 407.514 3.827 50 0 HHAAHN COc1ccc2[nH]c(CN3CCC(n4nccc4NC(=O)C4CC4)CC3)c(C)c2c1 ZINC000012586443 558434049 /nfs/dbraw/zinc/43/40/49/558434049.db2.gz UJULEHRFPOZBSY-UHFFFAOYSA-N 0 3 407.518 3.867 50 0 HHAAHN C[C@H](CC(F)(F)F)N1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1 ZINC000012718583 558456167 /nfs/dbraw/zinc/45/61/67/558456167.db2.gz UOLHCBJQDWUQDO-MRXNPFEDSA-N 0 3 415.500 3.504 50 0 HHAAHN COc1cc([C@H](C)O)ccc1COc1ccc(CNC[C@H]2CCCO2)cc1OC ZINC000012910080 558484466 /nfs/dbraw/zinc/48/44/66/558484466.db2.gz QOQJZCQGABFMGG-OXJNMPFZSA-N 0 3 401.503 3.605 50 0 HHAAHN OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CCN1CCc1ccccc1 ZINC000023153413 558539428 /nfs/dbraw/zinc/53/94/28/558539428.db2.gz AAIULNQTTHSDBK-HSZRJFAPSA-N 0 3 424.976 3.841 50 0 HHAAHN CSc1ccc(CN2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000023171141 558540169 /nfs/dbraw/zinc/54/01/69/558540169.db2.gz VLEGLQWODYOWGC-UHFFFAOYSA-N 0 3 423.626 3.965 50 0 HHAAHN c1[nH]nc(-c2ccccc2)c1CN1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000023374982 558554557 /nfs/dbraw/zinc/55/45/57/558554557.db2.gz IFWUGSJUQPQBIB-DEOSSOPVSA-N 0 3 401.558 3.863 50 0 HHAAHN O=C(CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc(Cl)c1 ZINC000023382134 558555550 /nfs/dbraw/zinc/55/55/50/558555550.db2.gz UULYMYQMBGKBBQ-LPHOPBHVSA-N 0 3 424.888 3.785 50 0 HHAAHN CN(C)[C@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 ZINC000014184595 558630030 /nfs/dbraw/zinc/63/00/30/558630030.db2.gz ACBHBWUUWJSKDE-LJQANCHMSA-N 0 3 420.479 3.736 50 0 HHAAHN CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](NCc1cccc(F)c1F)CC2 ZINC000014746136 558669205 /nfs/dbraw/zinc/66/92/05/558669205.db2.gz JPWRWVQXNORBKG-SFHVURJKSA-N 0 3 424.495 3.559 50 0 HHAAHN CN1CCCN(C(=O)[C@H]2CC23CCN(C/C(Cl)=C/c2ccccc2)CC3)CC1 ZINC000014953934 558681681 /nfs/dbraw/zinc/68/16/81/558681681.db2.gz BGKCSEGBOWRPAW-OYQOIYBLSA-N 0 3 401.982 3.533 50 0 HHAAHN CCNC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1CN1CCC[C@@H](C)C1 ZINC000014956565 558682728 /nfs/dbraw/zinc/68/27/28/558682728.db2.gz BSVSVQFTYQSGHE-QGZVFWFLSA-N 0 3 410.514 3.829 50 0 HHAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2cc(C(C)C)nn2C)C1 ZINC000014962187 558684313 /nfs/dbraw/zinc/68/43/13/558684313.db2.gz DDQMEILYBVEZBR-IBGZPJMESA-N 0 3 412.578 3.579 50 0 HHAAHN O=C1CC[C@@H](CCNCc2cc3c(cc2Cl)OCO3)N1CCc1ccccc1 ZINC000014993510 558695303 /nfs/dbraw/zinc/69/53/03/558695303.db2.gz KOYGLJGVSMRCAA-SFHVURJKSA-N 0 3 400.906 3.782 50 0 HHAAHN O[C@H](COc1cccc(CNCc2cccs2)c1)CN1CCc2ccccc2C1 ZINC000015065011 558707780 /nfs/dbraw/zinc/70/77/80/558707780.db2.gz ZXVDSILFEFGMLR-QFIPXVFZSA-N 0 3 408.567 3.836 50 0 HHAAHN CN(C)[C@@H](CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1ccccc1 ZINC000028957089 558707929 /nfs/dbraw/zinc/70/79/29/558707929.db2.gz DHHPQPXOUPJBEJ-WMZOPIPTSA-N 0 3 403.935 3.562 50 0 HHAAHN COc1ccc(CN2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc4c(c3)OCO4)C2)cc1C ZINC000015068390 558710958 /nfs/dbraw/zinc/71/09/58/558710958.db2.gz BSVAAPFUYRNDLN-RTWAWAEBSA-N 0 3 422.525 3.745 50 0 HHAAHN O=C(CCCOc1ccccc1Cl)NCc1ccccc1CN1CCC(O)CC1 ZINC000072306655 558763776 /nfs/dbraw/zinc/76/37/76/558763776.db2.gz LNHDBJSOLUDBBC-UHFFFAOYSA-N 0 3 416.949 3.772 50 0 HHAAHN Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)cc1F ZINC000033326832 558766861 /nfs/dbraw/zinc/76/68/61/558766861.db2.gz WBQCOHPHSBACEW-UHFFFAOYSA-N 0 3 412.513 3.577 50 0 HHAAHN Cn1nnnc1SCCNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000016363665 558788444 /nfs/dbraw/zinc/78/84/44/558788444.db2.gz LSXVZPXFTARLRM-UHFFFAOYSA-N 0 3 424.357 3.978 50 0 HHAAHN CCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000016751524 558804884 /nfs/dbraw/zinc/80/48/84/558804884.db2.gz QSMUAZOIDSNLBY-OAQYLSRUSA-N 0 3 424.472 3.828 50 0 HHAAHN CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000016752093 558805009 /nfs/dbraw/zinc/80/50/09/558805009.db2.gz KUXGJWWFMTUQKK-QFIPXVFZSA-N 0 3 420.509 3.997 50 0 HHAAHN CN(C[C@H]1CCCN(CCCOc2ccc3c(c2)OCO3)C1)C(=O)OC(C)(C)C ZINC000060339749 558852568 /nfs/dbraw/zinc/85/25/68/558852568.db2.gz ZWEFNBBGPWIMAW-QGZVFWFLSA-N 0 3 406.523 3.763 50 0 HHAAHN CC(C)[C@@H](CNC(=O)Nc1cccc(-c2nncn2C)c1)N1CCc2ccccc2C1 ZINC000058161637 558905632 /nfs/dbraw/zinc/90/56/32/558905632.db2.gz VMGKZYVNGNUYLS-JOCHJYFZSA-N 0 3 418.545 3.687 50 0 HHAAHN CN(C)Cc1ccccc1CNC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000058394150 558923888 /nfs/dbraw/zinc/92/38/88/558923888.db2.gz UHDKYBIAJUMJEH-KRWDZBQOSA-N 0 3 400.954 3.727 50 0 HHAAHN CCN(CC)[C@@H](CNC(=O)N1CCc2cc(OC)c(OC)cc2C1)c1ccccc1 ZINC000059264542 558933130 /nfs/dbraw/zinc/93/31/30/558933130.db2.gz AXQRNROXNKMRNK-NRFANRHFSA-N 0 3 411.546 3.855 50 0 HHAAHN O=C(NCCN1CCCC1)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 ZINC000077554124 559009049 /nfs/dbraw/zinc/00/90/49/559009049.db2.gz XLFGSCTVZMGKCR-UHFFFAOYSA-N 0 3 410.562 3.544 50 0 HHAAHN CCCOc1ccc(NC(=O)N2CCC(CN3CCN(C)CC3)CC2)cc1Cl ZINC000096999313 559016887 /nfs/dbraw/zinc/01/68/87/559016887.db2.gz DQEUICKBUIOOMP-UHFFFAOYSA-N 0 3 408.974 3.620 50 0 HHAAHN O=C1CN(C2CCN(Cc3cccc4ccccc43)CC2)C(=O)N1CC(F)(F)F ZINC000585148455 559059810 /nfs/dbraw/zinc/05/98/10/559059810.db2.gz DESFXVPLKCTFGO-UHFFFAOYSA-N 0 3 405.420 3.631 50 0 HHAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000023738185 559179567 /nfs/dbraw/zinc/17/95/67/559179567.db2.gz RLPOISLZBJSKRE-RXVVDRJESA-N 0 3 411.933 3.646 50 0 HHAAHN Cc1ccc(N(C[C@H](O)CN2CCCC2)S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000005023634 559229760 /nfs/dbraw/zinc/22/97/60/559229760.db2.gz YQNSWKKNCPHEFU-HSZRJFAPSA-N 0 3 424.566 3.800 50 0 HHAAHN CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCCO4)=NN12 ZINC000005093300 559244111 /nfs/dbraw/zinc/24/41/11/559244111.db2.gz ACTBIHRECOLKOM-HXUWFJFHSA-N 0 3 405.498 3.813 50 0 HHAAHN CCN(CC)CCN(C(=O)c1ccco1)c1nc2cc3c(cc2s1)OCCO3 ZINC000005122073 559248645 /nfs/dbraw/zinc/24/86/45/559248645.db2.gz NHEBFOGBCMSHHE-UHFFFAOYSA-N 0 3 401.488 3.649 50 0 HHAAHN CCOc1cc(CN2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)ccc1OC ZINC000011838324 559261367 /nfs/dbraw/zinc/26/13/67/559261367.db2.gz JLXSEKZFCPNYQI-GOSISDBHSA-N 0 3 400.494 3.875 50 0 HHAAHN CCOc1cc(CN2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)ccc1OC ZINC000011838323 559261371 /nfs/dbraw/zinc/26/13/71/559261371.db2.gz JLXSEKZFCPNYQI-SFHVURJKSA-N 0 3 400.494 3.875 50 0 HHAAHN CN(C)CCCn1cnc2c(c1=N)[C@@H](c1ccc(Cl)cc1)c1ccc(O)cc1O2 ZINC000005347394 560570624 /nfs/dbraw/zinc/57/06/24/560570624.db2.gz PJLNEAQLCGINNJ-IBGZPJMESA-N 0 3 410.905 3.959 50 0 HHAAHN CCN(CC)CCn1cnc2c(c1=N)[C@@H](c1ccc(OC)cc1)c1ccc(O)cc1O2 ZINC000005348942 560571129 /nfs/dbraw/zinc/57/11/29/560571129.db2.gz CTYHIVDCFOAHAV-NRFANRHFSA-N 0 3 420.513 3.704 50 0 HHAAHN COc1ccc(NC(=O)[C@H]2C[C@H](CC(C)C)N[C@@]23c2cc(C)ccc2NC3=O)cc1 ZINC000005452080 560589364 /nfs/dbraw/zinc/58/93/64/560589364.db2.gz LXGWRKRXKJDGPC-IQOKHDRSSA-N 0 3 407.514 3.814 50 0 HHAAHN Clc1cc(CNCc2ccc(CN3CCOCC3)cc2)cc2c1OCCCO2 ZINC000017318317 560708819 /nfs/dbraw/zinc/70/88/19/560708819.db2.gz JRUJCFAXWVZHME-UHFFFAOYSA-N 0 3 402.922 3.623 50 0 HHAAHN CCC[C@@H]1[C@H]2C(=O)N(c3ccccc3Br)C(=O)C2ON1c1ccccc1 ZINC000102722006 560821433 /nfs/dbraw/zinc/82/14/33/560821433.db2.gz JPAGAUXKVTXNOI-KZNAEPCWSA-N 0 3 415.287 3.928 50 0 HHAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccs4)[C@H]3C2=O)c1 ZINC000102861410 560831893 /nfs/dbraw/zinc/83/18/93/560831893.db2.gz CXQYYROFFWGQCQ-HSALFYBXSA-N 0 3 406.463 3.808 50 0 aggregator HHAAHN O=C(CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 ZINC000019817515 560885517 /nfs/dbraw/zinc/88/55/17/560885517.db2.gz VCFVAUDWAKKUTQ-VQIMIIECSA-N 0 3 424.888 3.785 50 0 HHAAHN CC(=O)N[C@H](CC(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(Cl)cc1 ZINC000048325188 568438544 /nfs/dbraw/zinc/43/85/44/568438544.db2.gz FUIFTEFFDDYBPW-YADHBBJMSA-N 0 3 413.949 3.861 50 0 HHAAHN FC(F)Oc1ccc(Br)cc1CNC[C@@H]1COc2ccccc2O1 ZINC000025261830 568517021 /nfs/dbraw/zinc/51/70/21/568517021.db2.gz UZQQOPIFYSBTOK-CYBMUJFWSA-N 0 3 400.219 3.980 50 0 HHAAHN Cc1ccc(Cl)cc1NC(=O)[C@H](C)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000095399570 568604788 /nfs/dbraw/zinc/60/47/88/568604788.db2.gz LQDHRARTHKTZLT-YJBOKZPZSA-N 0 3 407.967 3.700 50 0 HHAAHN O=C(CCn1ccc2cc(Cl)ccc21)NC1CCN(CCc2ccncc2)CC1 ZINC000095442789 568611105 /nfs/dbraw/zinc/61/11/05/568611105.db2.gz NXOCJQGFYBJICQ-UHFFFAOYSA-N 0 3 410.949 3.903 50 0 HHAAHN COc1ccc([C@H](O)[C@H](C)NCC2=Cc3cc(Br)ccc3OC2)cc1 ZINC000095442651 568611142 /nfs/dbraw/zinc/61/11/42/568611142.db2.gz XCOIHEIQXXMCMO-RNODOKPDSA-N 0 3 404.304 3.945 50 0 HHAAHN NC(=O)[C@@H](CNCC1=Cc2cc(Cl)cc(Cl)c2OC1)Cc1ccc(F)cc1 ZINC000095452875 568615455 /nfs/dbraw/zinc/61/54/55/568615455.db2.gz AHKBWYOFYGBRAV-OAHLLOKOSA-N 0 3 409.288 3.842 50 0 HHAAHN CN(CCC1CCN(CCCn2c3ccccc3oc2=O)CC1)C(=O)OC(C)(C)C ZINC000095455728 568617010 /nfs/dbraw/zinc/61/70/10/568617010.db2.gz GXVAOKXQBFWOHB-UHFFFAOYSA-N 0 3 417.550 3.954 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)N(C)CCOc3ccc(C)cc3)c(C)c2)CC1 ZINC000040103847 568617098 /nfs/dbraw/zinc/61/70/98/568617098.db2.gz QRODLVUNJRXONJ-UHFFFAOYSA-N 0 3 410.562 3.988 50 0 HHAAHN COc1ccc(-c2n[nH]c(C)c2CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000095477859 568631228 /nfs/dbraw/zinc/63/12/28/568631228.db2.gz OQKDUXMYUNOTJW-UHFFFAOYSA-N 0 3 418.541 3.717 50 0 HHAAHN CCOC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000020762945 568642812 /nfs/dbraw/zinc/64/28/12/568642812.db2.gz AHIUEMBECMBWDH-PXNSSMCTSA-N 0 3 411.550 3.685 50 0 biogenic HHAAHN COc1cc(NC(=O)NCC2CCN(Cc3ccc(F)cc3)CC2)cc(OC)c1 ZINC000020851324 568645045 /nfs/dbraw/zinc/64/50/45/568645045.db2.gz QBRFSXWKTQSQRK-UHFFFAOYSA-N 0 3 401.482 3.877 50 0 HHAAHN Cc1cc(Br)c(S(=O)(=O)[N-]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1Cl ZINC000225541981 568649200 /nfs/dbraw/zinc/64/92/00/568649200.db2.gz ZZYGDDYMQQMVOL-UHFFFAOYSA-N 0 3 423.804 3.998 50 0 HHAAHN COc1cc(C=O)ccc1OCCC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000096012360 568684692 /nfs/dbraw/zinc/68/46/92/568684692.db2.gz RNSCZKIJYGINCQ-OAQYLSRUSA-N 0 3 410.514 3.538 50 0 HHAAHN C[C@H]1CCCCN1C[C@@H](O)COc1ccc(Br)cc1Br ZINC000012420322 568720496 /nfs/dbraw/zinc/72/04/96/568720496.db2.gz MHLQXVOWVVZPPS-WCQYABFASA-N 0 3 407.146 3.826 50 0 HHAAHN COc1ccc(CCN(CC2CCN(C)CC2)C(=O)c2cc(C(C)C)nn2C)cc1 ZINC000012431588 568722202 /nfs/dbraw/zinc/72/22/02/568722202.db2.gz RREPLWMXOHAYAD-UHFFFAOYSA-N 0 3 412.578 3.579 50 0 HHAAHN COc1ccc(Nc2nc(N3CCN(C4CCCCC4)CC3)nc3c2cnn3C)cc1 ZINC000021928708 568761531 /nfs/dbraw/zinc/76/15/31/568761531.db2.gz CBLLWVMHXRXNID-UHFFFAOYSA-N 0 3 421.549 3.570 50 0 HHAAHN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000055748712 568782930 /nfs/dbraw/zinc/78/29/30/568782930.db2.gz QBVKBHYCCRSXQX-BBWFWOEESA-N 0 3 402.970 3.989 50 0 HHAAHN C[C@H](NCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccco1 ZINC000057435056 568836724 /nfs/dbraw/zinc/83/67/24/568836724.db2.gz ZDMVQSSFTYQNHF-FQEVSTJZSA-N 0 3 418.541 3.891 50 0 HHAAHN CC[C@H](C)c1ccc([C@H](NCC(=O)N2CCN(c3ncccn3)CC2)C(C)C)cc1 ZINC000057455977 568837813 /nfs/dbraw/zinc/83/78/13/568837813.db2.gz WCBDYUKMTXXBEI-WMZHIEFXSA-N 0 3 409.578 3.626 50 0 HHAAHN CC[C@@H]1CN(CC(C)(C)O)[C@@H](CC)CN1C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000230151610 568852838 /nfs/dbraw/zinc/85/28/38/568852838.db2.gz DGVXAVIHODYYOB-DLBZAZTESA-N 0 3 417.579 3.683 50 0 HHAAHN COC(=O)c1ccc(C(=O)N2CC[C@]3(C2)CCCN(Cc2cccc(OC)c2)C3)cc1 ZINC000012709798 568917625 /nfs/dbraw/zinc/91/76/25/568917625.db2.gz NBUSYOCFCCUMJP-RUZDIDTESA-N 0 3 422.525 3.610 50 0 HHAAHN Fc1ccccc1N1CCN(c2ncc3c(n2)CCN(CCc2ccccc2)C3)CC1 ZINC000015779701 568920676 /nfs/dbraw/zinc/92/06/76/568920676.db2.gz AGMIBEOSLJEWGU-UHFFFAOYSA-N 0 3 417.532 3.543 50 0 HHAAHN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000012742411 568929364 /nfs/dbraw/zinc/92/93/64/568929364.db2.gz OGNBPGBOIBGZKR-GOSISDBHSA-N 0 3 411.452 3.943 50 0 HHAAHN Cn1cc(CCC(=O)OC[C@@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000084318335 568946002 /nfs/dbraw/zinc/94/60/02/568946002.db2.gz VBXGEFKAIZDEBB-FXAWDEMLSA-N 0 3 409.452 3.998 50 0 HHAAHN Cc1noc(C)c1COc1ccc(C(=O)NCc2cccc(OCCN(C)C)c2)cc1 ZINC000059350421 568951724 /nfs/dbraw/zinc/95/17/24/568951724.db2.gz HIBJBNAKOPDCMS-UHFFFAOYSA-N 0 3 423.513 3.741 50 0 HHAAHN CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)NC3(C)C)cc1 ZINC000004275264 568962193 /nfs/dbraw/zinc/96/21/93/568962193.db2.gz MQHXAEVWXVRNPT-UHFFFAOYSA-N 0 3 401.532 3.657 50 0 HHAAHN C[C@H]1CCCCN1CCNC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000015676919 568964961 /nfs/dbraw/zinc/96/49/61/568964961.db2.gz FEJSQVBVXKVZHN-IBGZPJMESA-N 0 3 419.573 3.695 50 0 HHAAHN CC(C)[C@H](NCC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccc(F)cc1 ZINC000008003939 568967895 /nfs/dbraw/zinc/96/78/95/568967895.db2.gz LQVNRWMYVZXQFK-FQEVSTJZSA-N 0 3 401.873 3.985 50 0 HHAAHN CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC000015773727 568998847 /nfs/dbraw/zinc/99/88/47/568998847.db2.gz CTJFRZGLMFWVQR-HSZRJFAPSA-N 0 3 423.532 3.522 50 0 HHAAHN CCN(CC)[C@@H](CNC(=O)c1nc(SC)ncc1Cl)c1cccc(OC)c1 ZINC000012893153 569020238 /nfs/dbraw/zinc/02/02/38/569020238.db2.gz QWNYFBLGXGICOC-INIZCTEOSA-N 0 3 408.955 3.673 50 0 HHAAHN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCCN(C)Cc1ccccc1 ZINC000053348671 569027366 /nfs/dbraw/zinc/02/73/66/569027366.db2.gz YPWCBPGNLZPDOZ-UHFFFAOYSA-N 0 3 400.885 3.835 50 0 HHAAHN Cn1c(C(=O)NC2CCN(Cc3ccccc3)CC2)cc2c1c1ccccc1oc2=O ZINC000035396881 569034733 /nfs/dbraw/zinc/03/47/33/569034733.db2.gz ZVTSWLQLKUIGIE-UHFFFAOYSA-N 0 3 415.493 3.679 50 0 HHAAHN Cc1ccccc1CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2 ZINC000035430843 569036821 /nfs/dbraw/zinc/03/68/21/569036821.db2.gz UMSPYZXREGHJKQ-UHFFFAOYSA-N 0 3 412.331 3.669 50 0 HHAAHN CN1CCCN(c2ccc(NC(=O)N[C@H]3CCc4cc(F)ccc43)cc2F)CC1 ZINC000239352693 569054283 /nfs/dbraw/zinc/05/42/83/569054283.db2.gz ADBORCLBYCLPMF-FQEVSTJZSA-N 0 3 400.473 3.916 50 0 HHAAHN Cc1cccc(OCc2nc(CN(CCN(C)C)C(=O)NC(C)(C)C)cs2)c1 ZINC000035741820 569057254 /nfs/dbraw/zinc/05/72/54/569057254.db2.gz QRDARPPLRKSTPN-UHFFFAOYSA-N 0 3 404.580 3.902 50 0 HHAAHN CS[C@H]1CN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)C[C@@H]1N(C)C ZINC000089314156 569058471 /nfs/dbraw/zinc/05/84/71/569058471.db2.gz IKLPCNRHVPHPLB-RDJZCZTQSA-N 0 3 411.600 3.724 50 0 HHAAHN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000006598772 569069168 /nfs/dbraw/zinc/06/91/68/569069168.db2.gz ALCGUZLBKILMTQ-BWAGFHJFSA-N 0 3 411.546 3.747 50 0 HHAAHN Cc1nnc(CCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(C(C)C)cc2)C3)[n-]1 ZINC000426518328 569073317 /nfs/dbraw/zinc/07/33/17/569073317.db2.gz NGAFXTWLHXTFEP-DEOSSOPVSA-N 0 3 409.578 3.684 50 0 HHAAHN Cc1nnc(CCC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(C(C)C)cc2)C3)[n-]1 ZINC000426518328 569073318 /nfs/dbraw/zinc/07/33/18/569073318.db2.gz NGAFXTWLHXTFEP-DEOSSOPVSA-N 0 3 409.578 3.684 50 0 HHAAHN Cc1cc(OCC(=O)NC2CCN(Cc3ccccc3)CC2)c2c(C)cc(=O)oc2c1 ZINC000006659831 569084060 /nfs/dbraw/zinc/08/40/60/569084060.db2.gz DRFPTAZYYDAWFF-UHFFFAOYSA-N 0 3 420.509 3.569 50 0 HHAAHN CC[C@H](C)N(CCCNC(=O)Nc1cn(C)c(=O)c2ccccc12)Cc1ccco1 ZINC000006724929 569100714 /nfs/dbraw/zinc/10/07/14/569100714.db2.gz OHHRDNBXMRTJGU-KRWDZBQOSA-N 0 3 410.518 3.944 50 0 HHAAHN CC[C@H](O)CN(CCc1nc(-c2ccc(Br)cc2)no1)Cc1ccco1 ZINC000036154840 569100927 /nfs/dbraw/zinc/10/09/27/569100927.db2.gz KQWBKTUEBNCVFG-INIZCTEOSA-N 0 3 420.307 3.908 50 0 HHAAHN CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)CN[C@H](C)c3ccccc3)cc21 ZINC000006732828 569104001 /nfs/dbraw/zinc/10/40/01/569104001.db2.gz UOVFGADLIZZKCT-VQIMIIECSA-N 0 3 410.514 3.754 50 0 HHAAHN COc1ccc(CN(C[C@@H](O)COc2ccc(Cl)cc2)C[C@@H]2CCCO2)cc1 ZINC000169681642 569127678 /nfs/dbraw/zinc/12/76/78/569127678.db2.gz PAWORNMZZRBLRK-KNQAVFIVSA-N 0 3 405.922 3.770 50 0 HHAAHN CC[C@H]1CCCCN1CCNC(=O)c1ccc(-c2ccnc(N3CCCC3)n2)cc1 ZINC000065171689 569190326 /nfs/dbraw/zinc/19/03/26/569190326.db2.gz FCOHRAVIGRMENF-NRFANRHFSA-N 0 3 407.562 3.738 50 0 HHAAHN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NCCCN1CCCCCC1 ZINC000007005645 569198688 /nfs/dbraw/zinc/19/86/88/569198688.db2.gz OCPQLSPAOFEMEL-UHFFFAOYSA-N 0 3 421.563 3.511 50 0 HHAAHN COc1ccc2[nH]c(=O)c(CCC(=O)NC3CCN(Cc4ccccc4)CC3)cc2c1 ZINC000065245500 569205215 /nfs/dbraw/zinc/20/52/15/569205215.db2.gz HWVBEKRPVNUCJR-UHFFFAOYSA-N 0 3 419.525 3.662 50 0 HHAAHN CC(C)(CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)N1CCCCC1 ZINC000007064251 569217189 /nfs/dbraw/zinc/21/71/89/569217189.db2.gz XNSMLYASPKYLIL-GOSISDBHSA-N 0 3 405.970 3.573 50 0 HHAAHN O=C(Cc1c2[nH]cccc-2c(=O)n1-c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000065307545 569219724 /nfs/dbraw/zinc/21/97/24/569219724.db2.gz HZANBXOVZBZEFZ-JOCHJYFZSA-N 0 3 418.541 3.650 50 0 HHAAHN Cc1noc2nc(C(C)C)cc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCCO3)c12 ZINC000170613557 569246886 /nfs/dbraw/zinc/24/68/86/569246886.db2.gz MXVFHURRBLVQAD-IBGZPJMESA-N 0 3 422.529 3.676 50 0 HHAAHN COc1cc([C@@H]2NCC3(CCCC3)c3cc4c(cc32)OCCO4)cc(OC)c1OC ZINC000002106063 569277799 /nfs/dbraw/zinc/27/77/99/569277799.db2.gz MNSJXCLIYPYURP-QFIPXVFZSA-N 0 3 411.498 3.988 50 0 biogenic HHAAHN CN(C(=O)Cc1cccc(C(F)(F)F)c1)C1CCN(CCc2ccccn2)CC1 ZINC000078720209 569420042 /nfs/dbraw/zinc/42/00/42/569420042.db2.gz GADAVTBNTUKNAD-UHFFFAOYSA-N 0 3 405.464 3.808 50 0 HHAAHN C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCC2(C1)CCCCCC2 ZINC000079024429 569424559 /nfs/dbraw/zinc/42/45/59/569424559.db2.gz DPJXRJIYNUNUNA-AWEZNQCLSA-N 0 3 411.468 3.593 50 0 HHAAHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000079046107 569425219 /nfs/dbraw/zinc/42/52/19/569425219.db2.gz SIXCHSTYCOPRDB-GCJKJVERSA-N 0 3 421.545 3.591 50 0 HHAAHN CCCCN(C)CCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000008603951 571091155 /nfs/dbraw/zinc/09/11/55/571091155.db2.gz YUOLPNJJRZZPNX-UHFFFAOYSA-N 0 3 422.573 3.985 50 0 HHAAHN O=C(Nc1cc(Cl)ccc1N1CCOCC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000040103430 571163911 /nfs/dbraw/zinc/16/39/11/571163911.db2.gz XJLLNKMIHPANSR-IBGZPJMESA-N 0 3 414.937 3.573 50 0 HHAAHN Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000040121269 571177218 /nfs/dbraw/zinc/17/72/18/571177218.db2.gz GVFJKWVZCYIVRE-GJZGRUSLSA-N 0 3 402.564 3.829 50 0 HHAAHN C[C@@H](C(=O)NCCN1CCCC[C@H]1C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000245261294 571221391 /nfs/dbraw/zinc/22/13/91/571221391.db2.gz FMYKLAAJFBPSHC-RTBURBONSA-N 0 3 424.589 3.647 50 0 HHAAHN Cc1cnn(CCN(CCOc2ccccc2F)CCOc2ccccc2F)c1 ZINC000070015916 571254350 /nfs/dbraw/zinc/25/43/50/571254350.db2.gz YZZUCOHKLASIOQ-UHFFFAOYSA-N 0 3 401.457 3.930 50 0 HHAAHN COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000009728457 571282812 /nfs/dbraw/zinc/28/28/12/571282812.db2.gz CUFFQLHPJHDWLI-UHFFFAOYSA-N 0 3 416.525 3.578 50 0 HHAAHN COc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)N2CCCC2)cc1 ZINC000010333902 571300602 /nfs/dbraw/zinc/30/06/02/571300602.db2.gz UCKWIEGWKYFQSJ-QHCPKHFHSA-N 0 3 417.509 3.740 50 0 HHAAHN COc1ccc(S(=O)(=O)NC[C@H](c2cccc3ccccc32)N2CCCC2)cc1 ZINC000010335651 571300754 /nfs/dbraw/zinc/30/07/54/571300754.db2.gz BJQHZNPRKKTSQL-HSZRJFAPSA-N 0 3 410.539 3.964 50 0 HHAAHN COc1ccccc1[C@@H]1[C@H]2CN(Cc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N ZINC000033690009 571316274 /nfs/dbraw/zinc/31/62/74/571316274.db2.gz YOBAKVZRCNETJJ-LADGPHEKSA-N 0 3 421.504 3.621 50 0 HHAAHN C[C@H](CNC(=O)CN1CCCCC1)Oc1cccc(CN(C)Cc2ccsc2)c1 ZINC000011783224 962188841 /nfs/dbraw/zinc/18/88/41/962188841.db2.gz MFHYMMHOTKVIML-LJQANCHMSA-N 0 3 415.603 3.750 50 0 HHAAHN O=C(NC[C@@H](c1ccccc1)N1CCCCCC1)c1cn(CCc2ccccc2)nn1 ZINC000012223822 962255831 /nfs/dbraw/zinc/25/58/31/962255831.db2.gz KEXOYPKQFSUMIZ-DEOSSOPVSA-N 0 3 417.557 3.868 50 0 HHAAHN CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(CC(C)C)cc1)CC2)C(C)C ZINC000012244613 962257079 /nfs/dbraw/zinc/25/70/79/962257079.db2.gz KOZVLWJFDAFVRL-HSZRJFAPSA-N 0 3 411.594 3.758 50 0 HHAAHN O=C(CCc1ccccc1)NC[C@H]1CCCN(Cc2cc(F)ccc2-n2cccn2)C1 ZINC000012577915 962296938 /nfs/dbraw/zinc/29/69/38/962296938.db2.gz HVQDQGOLDTVFMF-OAQYLSRUSA-N 0 3 420.532 3.972 50 0 HHAAHN Fc1cc(F)cc(-n2ncc3c2CCC[C@H]3NCc2cccn2-c2ncccn2)c1 ZINC000012596891 962298981 /nfs/dbraw/zinc/29/89/81/962298981.db2.gz XYBJPKOHONQJQX-HXUWFJFHSA-N 0 3 406.440 3.898 50 0 HHAAHN Cc1cnc(CN[C@@H]2CCc3c(sc4ncn(CC5CCCCC5)c(=O)c43)C2)cn1 ZINC000015071094 962647722 /nfs/dbraw/zinc/64/77/22/962647722.db2.gz QRJHFUKJIFEOHL-QGZVFWFLSA-N 0 3 423.586 3.784 50 0 HHAAHN Cn1cnnc1Sc1ccc(CN2CCC[C@H](N3CCc4ccccc4C3)C2)o1 ZINC000020997757 963410661 /nfs/dbraw/zinc/41/06/61/963410661.db2.gz FXAFTAUZIMJIPL-IBGZPJMESA-N 0 3 409.559 3.582 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)/C=C\c3ccc(OC)c(OC)c3)c(C)c2)CC1 ZINC000097985512 969182068 /nfs/dbraw/zinc/18/20/68/969182068.db2.gz JXROLEBSDJHWFE-XFFZJAGNSA-N 0 3 409.530 3.806 50 0 HHAAHN COCCO[C@H]1CN(C2CCN(C(=O)Nc3ccccc3F)CC2)C12CCCCC2 ZINC000257181691 970620136 /nfs/dbraw/zinc/62/01/36/970620136.db2.gz NSJNAQJLYBJCIW-NRFANRHFSA-N 0 3 419.541 3.872 50 0 HHAAHN COCCO[C@H]1CN(C2CCN(C(=O)c3cccc(C)c3)CC2)C12CCCCC2 ZINC000257186109 970621277 /nfs/dbraw/zinc/62/12/77/970621277.db2.gz YJWSNKIZWKMLJY-QFIPXVFZSA-N 0 3 400.563 3.650 50 0 HHAAHN O=C(CCC(=O)N1CCSc2ccccc21)NC1CCN(Cc2ccccc2)CC1 ZINC000006857480 132319238 /nfs/dbraw/zinc/31/92/38/132319238.db2.gz PGEGLFBWYXJXDZ-UHFFFAOYSA-N 0 3 423.582 3.686 50 0 HHAAHN CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(N3CCN(CC)CC3)c(C)c2)c1C ZINC000011323957 132347987 /nfs/dbraw/zinc/34/79/87/132347987.db2.gz BZJGHAUOHONYBO-UHFFFAOYSA-N 0 3 412.534 3.511 50 0 HHAAHN CCN(CC)[C@H](CNC(=O)CN1C(=S)N=NC1c1cccc(C)c1)c1ccccc1 ZINC000032902455 520861966 /nfs/dbraw/zinc/86/19/66/520861966.db2.gz SPCVVRGCNSONEW-HXUWFJFHSA-N 0 3 423.586 3.742 50 0 HHAAHN CCN1CCN(c2ccc(N[C@@H](C)C(=O)NCc3ccc(Cl)cc3)c(C)c2)CC1 ZINC000032772056 521699258 /nfs/dbraw/zinc/69/92/58/521699258.db2.gz JHPJEHDADUFMQO-SFHVURJKSA-N 0 3 414.981 3.907 50 0 HHAAHN CC[C@@H](CNC(=O)c1cc(Br)c(Br)s1)N1CCCC1 ZINC000032653221 522541031 /nfs/dbraw/zinc/54/10/31/522541031.db2.gz ZSUNECPXHVMMAS-VIFPVBQESA-N 0 3 410.175 3.877 50 0 HHAAHN CN(CCCNC(=O)CC1CCN(C(=O)c2ccccc2)CC1)Cc1ccccc1 ZINC000032974109 522757997 /nfs/dbraw/zinc/75/79/97/522757997.db2.gz WTJDZGNEGPFSTQ-UHFFFAOYSA-N 0 3 407.558 3.567 50 0 HHAAHN CN1CCC(NC(=O)c2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000040355523 523775959 /nfs/dbraw/zinc/77/59/59/523775959.db2.gz XWROTWIXJZKZGY-UHFFFAOYSA-N 0 3 413.330 3.526 50 0 HHAAHN CN1CCC2(CC1)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1O2 ZINC000031583790 523786499 /nfs/dbraw/zinc/78/64/99/523786499.db2.gz UQKBMOGNEOPORE-SFHVURJKSA-N 0 3 406.935 3.607 50 0 HHAAHN COc1ccc(CCNC(=O)N[C@@H](C)[C@H](c2ccccc2)N2CCCC2)cc1OC ZINC000032754958 523964482 /nfs/dbraw/zinc/96/44/82/523964482.db2.gz NQASDOHJALQZOZ-FDDCHVKYSA-N 0 3 411.546 3.771 50 0 HHAAHN Cc1ccc(CN2CCN(Cc3ccc(-n4cccn4)cc3C)C[C@H]2CCO)cc1 ZINC000036385840 524457817 /nfs/dbraw/zinc/45/78/17/524457817.db2.gz NVXKYLORNKHLOC-RUZDIDTESA-N 0 3 404.558 3.558 50 0 HHAAHN Cc1cc2c(nc3n(CCCN(C)C)nc(SCc4ccccc4)n3c2=O)s1 ZINC000040266343 525624599 /nfs/dbraw/zinc/62/45/99/525624599.db2.gz ZGYJEXHZWDLSMO-UHFFFAOYSA-N 0 3 413.572 3.658 50 0 HHAAHN Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCCN2CCCC2)cc1 ZINC000032974937 525839853 /nfs/dbraw/zinc/83/98/53/525839853.db2.gz QJJSZCPPRFUQDH-UHFFFAOYSA-N 0 3 402.542 3.992 50 0 HHAAHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN(C)CCOc1ccccc1F ZINC000032879200 527544058 /nfs/dbraw/zinc/54/40/58/527544058.db2.gz NNRLTTRMVOYYPO-UHFFFAOYSA-N 0 3 410.493 3.968 50 0 HHAAHN O=C(NCCN1CCCC1)[C@H]1CCCN(c2nc3ccccc3n2C2CCCC2)C1 ZINC000034906690 557473889 /nfs/dbraw/zinc/47/38/89/557473889.db2.gz XUFQJCOYFNGHRY-IBGZPJMESA-N 0 3 409.578 3.580 50 0 HHAAHN C[C@H](O)c1ccc(-c2ccc(CNCCSc3nnnn3-c3ccccc3)o2)cc1 ZINC000007541265 557746330 /nfs/dbraw/zinc/74/63/30/557746330.db2.gz BSYWTMGXAUWCMW-INIZCTEOSA-N 0 3 421.526 3.858 50 0 HHAAHN O=C(NC[C@H]1CCC2(CCN(Cc3ccc4cccnc4c3)CC2)O1)c1ccco1 ZINC000011785544 558275970 /nfs/dbraw/zinc/27/59/70/558275970.db2.gz FBJOABQZRNRNDE-HXUWFJFHSA-N 0 3 405.498 3.771 50 0 HHAAHN COc1ccccc1-c1ncc(CN[C@@H]2CCCN(C3Cc4ccccc4C3)C2)cn1 ZINC000019794923 558284369 /nfs/dbraw/zinc/28/43/69/558284369.db2.gz DDXALEVLCLWZBL-JOCHJYFZSA-N 0 3 414.553 3.874 50 0 HHAAHN CC(C)c1ccc(CN2CCC[C@@]3(CCN(C(=O)CCc4cnn(C)c4)C3)C2)cc1 ZINC000011839568 558286180 /nfs/dbraw/zinc/28/61/80/558286180.db2.gz BUWZMFOVPMTYDW-RUZDIDTESA-N 0 3 408.590 3.991 50 0 HHAAHN COc1cccc2ccc(CN3CCC(CCC(=O)NC[C@H]4CCCO4)CC3)nc21 ZINC000011952874 558303096 /nfs/dbraw/zinc/30/30/96/558303096.db2.gz OQHYXONBRDCHST-OAQYLSRUSA-N 0 3 411.546 3.531 50 0 HHAAHN O=C1CC[C@@H](CCNCc2ccccc2F)N1C[C@H](c1cccnc1)N1CCCCC1 ZINC000012056828 558316081 /nfs/dbraw/zinc/31/60/81/558316081.db2.gz CDJVABFBWVRXFK-LADGPHEKSA-N 0 3 424.564 3.919 50 0 HHAAHN COC(=O)c1ccc(CN2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)cc1 ZINC000020117835 558336657 /nfs/dbraw/zinc/33/66/57/558336657.db2.gz QLFGVQRIYTUAGX-QHCPKHFHSA-N 0 3 407.558 3.568 50 0 HHAAHN C[C@@H]1CCCN(Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)c(=O)[nH]2)C1 ZINC000012245355 558361535 /nfs/dbraw/zinc/36/15/35/558361535.db2.gz RYRMZYLGUDNAFM-CQSZACIVSA-N 0 3 407.436 3.556 50 0 HHAAHN CC(C)CC(=O)Nc1ccnn1C1CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000012314503 558378032 /nfs/dbraw/zinc/37/80/32/558378032.db2.gz NGHXIGIDVFRANI-UHFFFAOYSA-N 0 3 406.534 3.891 50 0 HHAAHN CCc1ccccc1N1C(=O)c2ccccc2/C(=C\NC[C@H]2CCCN2CC)C1=O ZINC000020518239 558383524 /nfs/dbraw/zinc/38/35/24/558383524.db2.gz VLSUTUTZNVHOCL-ACXJOVJBSA-N 0 3 403.526 3.851 50 0 HHAAHN COc1cc(C(=O)N[C@@H](c2ccccn2)C(F)(F)F)ccc1OC1CCN(C)CC1 ZINC000012387803 558396686 /nfs/dbraw/zinc/39/66/86/558396686.db2.gz LURCTNDLPHTZBX-IBGZPJMESA-N 0 3 423.435 3.597 50 0 HHAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ccc(COC)o1 ZINC000012457999 558417946 /nfs/dbraw/zinc/41/79/46/558417946.db2.gz UZCVJDZDRUYTBU-HXUWFJFHSA-N 0 3 414.546 3.851 50 0 HHAAHN Cc1ccc(-n2cc(CNCCN3CCC[C@@H](O)C3)c(-c3cccc(C)c3)n2)cc1 ZINC000020995165 558426574 /nfs/dbraw/zinc/42/65/74/558426574.db2.gz XCHNHACIKYPMIO-XMMPIXPASA-N 0 3 404.558 3.702 50 0 HHAAHN COc1cccc(CNC(=O)CC[C@@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)c1 ZINC000013636615 558554353 /nfs/dbraw/zinc/55/43/53/558554353.db2.gz ILOTUFMCVUSVBQ-IBGZPJMESA-N 0 3 408.542 3.939 50 0 HHAAHN Cc1ccc(NC(=O)CC2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)c(F)c1 ZINC000023382296 558555765 /nfs/dbraw/zinc/55/57/65/558555765.db2.gz KBCHKCKRUCNBKI-YWZLYKJASA-N 0 3 422.460 3.579 50 0 HHAAHN Cc1ccccc1NC(=O)CC1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21 ZINC000023382475 558556049 /nfs/dbraw/zinc/55/60/49/558556049.db2.gz ZFGCDSKRXFMZOM-NRFANRHFSA-N 0 3 411.465 3.856 50 0 HHAAHN O=C(CC1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1cccc(F)c1 ZINC000023382408 558556059 /nfs/dbraw/zinc/55/60/59/558556059.db2.gz SSUSHHKAPOPJHE-FQEVSTJZSA-N 0 3 415.428 3.687 50 0 HHAAHN COC[C@H]1CCN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)C1 ZINC000023399116 558556719 /nfs/dbraw/zinc/55/67/19/558556719.db2.gz XNOAZVIRPOFPFD-QFIPXVFZSA-N 0 3 422.569 3.881 50 0 HHAAHN COCCCN1C(=O)C(CC(=O)Nc2ccc(C)cc2C)n2c3ccccc3nc21 ZINC000023411235 558557451 /nfs/dbraw/zinc/55/74/51/558557451.db2.gz LFZOAEXGVORDFU-FQEVSTJZSA-N 0 3 406.486 3.606 50 0 HHAAHN CN(C(=O)CCN1Cc2ccccc2C1=O)[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000023505553 558560165 /nfs/dbraw/zinc/56/01/65/558560165.db2.gz XOBGPSQLSVWLLV-HSZRJFAPSA-N 0 3 419.569 3.588 50 0 HHAAHN CC1Oc2ccc(NC(=O)C3CC4CCC(C3)C43SCCS3)cc2NC1=O ZINC000024974115 558623603 /nfs/dbraw/zinc/62/36/03/558623603.db2.gz MIVXQNHMPFQJCW-RLAWYHOSSA-N 0 3 404.557 3.957 50 0 HHAAHN CN(C)[C@@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)Cc1ccccc1 ZINC000014196911 558633862 /nfs/dbraw/zinc/63/38/62/558633862.db2.gz XYDARHBNHXYYNL-HXUWFJFHSA-N 0 3 407.539 3.903 50 0 HHAAHN CN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1c[nH]c3ccccc13)CC2 ZINC000014746029 558669172 /nfs/dbraw/zinc/66/91/72/558669172.db2.gz JGNPIWCFCJEPTH-UHFFFAOYSA-N 0 3 416.525 3.639 50 0 HHAAHN CCN(CC)[C@@H](CNC(=O)CSCC(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000027087159 558669441 /nfs/dbraw/zinc/66/94/41/558669441.db2.gz UZNKEARHAOSUHA-NRFANRHFSA-N 0 3 413.587 3.866 50 0 HHAAHN O=C(Cc1ccccc1)N1CC[C@H]2[C@H](CCCN2Cc2cccn2-c2nccs2)C1 ZINC000014882317 558676361 /nfs/dbraw/zinc/67/63/61/558676361.db2.gz FMDUDKZJMSTGMQ-IRLDBZIGSA-N 0 3 420.582 3.989 50 0 HHAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2nc(C(C)C)cs2)CC1 ZINC000014965771 558685659 /nfs/dbraw/zinc/68/56/59/558685659.db2.gz WHOYUNDZARWAFD-LJQANCHMSA-N 0 3 406.640 3.859 50 0 HHAAHN O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1cccc(CN2CCCC2=O)c1 ZINC000072281251 558706988 /nfs/dbraw/zinc/70/69/88/558706988.db2.gz ZKJPNFHIQQSNHJ-IBGZPJMESA-N 0 3 412.559 3.829 50 0 HHAAHN CC[C@H]1CCCCN1Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000015067247 558710204 /nfs/dbraw/zinc/71/02/04/558710204.db2.gz ABLSGFLPCIFIAL-PRGQWFPMSA-N 0 3 411.590 3.942 50 0 HHAAHN O=c1c2c(ncn1Cc1ccc(F)cc1)sc1c2CC[C@H](NCc2cccnc2)C1 ZINC000015071876 558713321 /nfs/dbraw/zinc/71/33/21/558713321.db2.gz DKROEBIGFLEIDZ-SFHVURJKSA-N 0 3 420.513 3.688 50 0 HHAAHN CN(C[C@@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cnsn1 ZINC000015075189 558715816 /nfs/dbraw/zinc/71/58/16/558715816.db2.gz WHZHYAIEOJYVFB-HNNXBMFYSA-N 0 3 412.481 3.584 50 0 HHAAHN CCN1CCN(CCCNC(=O)c2ccc(N3CCCc4ccccc43)s2)CC1 ZINC000022937319 558724381 /nfs/dbraw/zinc/72/43/81/558724381.db2.gz JBTNZYVCFJPMRH-UHFFFAOYSA-N 0 3 412.603 3.590 50 0 HHAAHN O=C(CC1C(=O)N(Cc2ccco2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000030937529 558744857 /nfs/dbraw/zinc/74/48/57/558744857.db2.gz WZKNEZQEDGNLSX-LJQANCHMSA-N 0 3 404.401 3.885 50 0 HHAAHN CC[C@@H](NC(=O)CNCCOc1ccccc1OC)c1ccc(Br)cc1 ZINC000016695468 558800952 /nfs/dbraw/zinc/80/09/52/558800952.db2.gz PQGYERZFRDMBMN-QGZVFWFLSA-N 0 3 421.335 3.694 50 0 HHAAHN CSc1ccc(C(=O)[C@H]2CCCN(Cc3cn(CC(N)=O)c4ccccc34)C2)cc1 ZINC000019147131 558846785 /nfs/dbraw/zinc/84/67/85/558846785.db2.gz DDXUCNKGWNDEKK-SFHVURJKSA-N 0 3 421.566 3.943 50 0 HHAAHN Cc1ccc2n[nH]c(C(=O)N3CCC[C@H](N4CCN(c5ccccc5C)CC4)C3)c2c1 ZINC000055090751 558872094 /nfs/dbraw/zinc/87/20/94/558872094.db2.gz PTSUEFBWPBOWQO-FQEVSTJZSA-N 0 3 417.557 3.607 50 0 HHAAHN CCOC(=O)C1(CCOc2ccccc2)CCN(C2CSCCSC2)CC1 ZINC000055368863 558880082 /nfs/dbraw/zinc/88/00/82/558880082.db2.gz SIJKJLZMDAPBEX-UHFFFAOYSA-N 0 3 409.617 3.949 50 0 HHAAHN O=C(c1cccc(OC2CCN(Cc3cccc4nonc43)CC2)c1)N1CCCC1 ZINC000055359419 558880138 /nfs/dbraw/zinc/88/01/38/558880138.db2.gz NFWFRXPYPWBDLF-UHFFFAOYSA-N 0 3 406.486 3.502 50 0 HHAAHN CN1CCN(CCCNC(=O)c2ccccc2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000033135970 558888354 /nfs/dbraw/zinc/88/83/54/558888354.db2.gz KBXATALWVVWXFZ-HXUWFJFHSA-N 0 3 405.464 3.814 50 0 HHAAHN CCOC(=O)C1C(CN2CCCCCCC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000058167073 558907364 /nfs/dbraw/zinc/90/73/64/558907364.db2.gz HSRYRNCPZDOBJJ-IBGZPJMESA-N 0 3 405.926 3.777 50 0 HHAAHN CC1CCN([C@@H](CNC(=O)Nc2cccnc2-n2cccn2)c2cccs2)CC1 ZINC000058197546 558911162 /nfs/dbraw/zinc/91/11/62/558911162.db2.gz NIHVAVKVMLDUBV-SFHVURJKSA-N 0 3 410.547 3.924 50 0 HHAAHN O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)C1CCN(Cc2ccccc2)CC1 ZINC000058378524 558923006 /nfs/dbraw/zinc/92/30/06/558923006.db2.gz GEEQTXRPTAAMDU-IBGZPJMESA-N 0 3 413.512 3.820 50 0 HHAAHN Cc1ccc(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)s1 ZINC000019595388 558946136 /nfs/dbraw/zinc/94/61/36/558946136.db2.gz ITWSFRNMQXVAFO-HXUWFJFHSA-N 0 3 413.587 3.567 50 0 HHAAHN COc1ccccc1N1CCN([C@@H]2CCCN(Cc3ccc(F)c(OC)c3)C2)CC1 ZINC000019635740 558947418 /nfs/dbraw/zinc/94/74/18/558947418.db2.gz WVJCNWGHJGBCLF-HXUWFJFHSA-N 0 3 413.537 3.630 50 0 HHAAHN O=C1C[C@H]2CC[C@@H](CN1)N2Cc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 ZINC000072463375 558983284 /nfs/dbraw/zinc/98/32/84/558983284.db2.gz BRGQTNGSKMHTKL-MOPGFXCFSA-N 0 3 419.456 3.623 50 0 HHAAHN CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)NCCN3CCCC[C@@H]3C)c2)C1 ZINC000033264388 558984376 /nfs/dbraw/zinc/98/43/76/558984376.db2.gz BKOBBYMKNYHCKH-UGKGYDQZSA-N 0 3 414.594 3.588 50 0 HHAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3cccc4ccccc43)CC2)n1 ZINC000067601764 558987495 /nfs/dbraw/zinc/98/74/95/558987495.db2.gz ZNEXQXKSBYRJEC-UHFFFAOYSA-N 0 3 401.514 3.501 50 0 HHAAHN Cc1cccc(CN2CCC(C(=O)NCc3nc(-c4ccccc4C)no3)CC2)c1 ZINC000067601890 558987658 /nfs/dbraw/zinc/98/76/58/558987658.db2.gz FHYCISLULZQHDF-UHFFFAOYSA-N 0 3 404.514 3.882 50 0 HHAAHN Cc1ccc(OCCN2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)cc1C ZINC000091586018 559072133 /nfs/dbraw/zinc/07/21/33/559072133.db2.gz RVNMIBWYICYPSE-QFIPXVFZSA-N 0 3 400.563 3.566 50 0 HHAAHN CCCOc1ccccc1CN1CCC2(CCC(=O)N(C[C@H]3CCCO3)C2)CC1 ZINC000091624855 559072481 /nfs/dbraw/zinc/07/24/81/559072481.db2.gz SZQJVHNYXNLASC-OAQYLSRUSA-N 0 3 400.563 3.859 50 0 HHAAHN COc1ccccc1-c1ncc(CN2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)s1 ZINC000092062269 559075477 /nfs/dbraw/zinc/07/54/77/559075477.db2.gz BHMDYVPSPWEJHV-ZHRRBRCNSA-N 0 3 402.560 3.818 50 0 HHAAHN COc1ccc(C(=O)NCCc2ccc(C)o2)cc1OC1CCN(C(C)C)CC1 ZINC000095503196 559082751 /nfs/dbraw/zinc/08/27/51/559082751.db2.gz BVNROKRLGWAAJS-UHFFFAOYSA-N 0 3 400.519 3.821 50 0 HHAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000100510959 559136094 /nfs/dbraw/zinc/13/60/94/559136094.db2.gz AJAPTWKTHVPRHV-VSKRKVRLSA-N 0 3 418.424 3.885 50 0 HHAAHN O=C(NCc1cccc(Cl)c1)c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1 ZINC000039229724 559258465 /nfs/dbraw/zinc/25/84/65/559258465.db2.gz HZKRCMQLXSPZGV-NRFANRHFSA-N 0 3 406.917 3.816 50 0 HHAAHN O=C1C2ON(c3ccc(Cl)cc3)[C@@H](c3cccnc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000170591332 560767594 /nfs/dbraw/zinc/76/75/94/560767594.db2.gz URMJABIZXOISIF-SLFFLAALSA-N 0 3 405.841 3.786 50 0 HHAAHN COc1cccc(OC)c1C(=O)C1CC(=O)Nc2c1c(C)nn2-c1cccc(C)c1 ZINC000046057525 568426185 /nfs/dbraw/zinc/42/61/85/568426185.db2.gz RXPZYCBACULCPI-MRXNPFEDSA-N 0 3 405.454 3.815 50 0 HHAAHN CCN1CCN(Cc2ccc(CNC(=O)CCOc3ccc(C)c(C)c3)cc2)CC1 ZINC000048302245 568437723 /nfs/dbraw/zinc/43/77/23/568437723.db2.gz UFQYZYUXBKFUHX-UHFFFAOYSA-N 0 3 409.574 3.526 50 0 HHAAHN CN(C)CCOc1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 ZINC000048324487 568438462 /nfs/dbraw/zinc/43/84/62/568438462.db2.gz IWECEJHMPUETAA-UHFFFAOYSA-N 0 3 417.556 3.789 50 0 HHAAHN COc1cc([C@@H](C)NCc2ccc(OCc3cscn3)cc2)ccc1OCCO ZINC000048341029 568440395 /nfs/dbraw/zinc/44/03/95/568440395.db2.gz FIXHQPTVTXFIHC-MRXNPFEDSA-N 0 3 414.527 3.953 50 0 HHAAHN COC(=O)c1cc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c(F)cc1F ZINC000048341907 568440526 /nfs/dbraw/zinc/44/05/26/568440526.db2.gz ZKODKEGJESOVKW-UHFFFAOYSA-N 0 3 403.429 3.538 50 0 HHAAHN CN(C)C[C@H](CNC(=O)Nc1ccc(-c2nccs2)cc1)[C@H](O)c1ccccc1 ZINC000048353522 568441116 /nfs/dbraw/zinc/44/11/16/568441116.db2.gz FLAKRGKWKBOZAI-AZUAARDMSA-N 0 3 410.543 3.843 50 0 HHAAHN CCN(CC)CCN(C(=O)c1cc(C)nn1C)c1nc2c(s1)c(C)ccc2OC ZINC000012286807 568458741 /nfs/dbraw/zinc/45/87/41/568458741.db2.gz FRTSMYGMZXWYKG-UHFFFAOYSA-N 0 3 415.563 3.644 50 0 HHAAHN COc1cccc(CN2CCC[C@@]3(CCN(Cc4cnn(C(C)C)c4)C3)C2)c1OC ZINC000014965915 568488109 /nfs/dbraw/zinc/48/81/09/568488109.db2.gz UOPYWSHBHCOWHB-XMMPIXPASA-N 0 3 412.578 3.969 50 0 HHAAHN CCN1CCN(c2cc(CN[C@@H](C)c3ccc(Br)cc3)ccn2)CC1 ZINC000095407531 568606349 /nfs/dbraw/zinc/60/63/49/568606349.db2.gz CUWYQBCWIDQGFL-INIZCTEOSA-N 0 3 403.368 3.837 50 0 HHAAHN CN1CCC2(CC1)C[C@@H](NC(=O)c1ccn(-c3cccc(F)c3)n1)c1ccccc1O2 ZINC000095955314 568669073 /nfs/dbraw/zinc/66/90/73/568669073.db2.gz GPLUQVPDLPULMG-OAQYLSRUSA-N 0 3 420.488 3.729 50 0 HHAAHN Cc1ccccc1Nc1nc(N2CCN(C3CCCCC3)CC2)nc2c1cnn2C ZINC000021928625 568761620 /nfs/dbraw/zinc/76/16/20/568761620.db2.gz OIDAIKUILXXRQV-UHFFFAOYSA-N 0 3 405.550 3.870 50 0 HHAAHN O=C(CCN1CCC(C(=O)NCc2ccccc2)CC1)Nc1ccc(Cl)cc1F ZINC000022199708 568765333 /nfs/dbraw/zinc/76/53/33/568765333.db2.gz HGRSACFTCYOOFW-UHFFFAOYSA-N 0 3 417.912 3.836 50 0 HHAAHN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccco1 ZINC000057314311 568826692 /nfs/dbraw/zinc/82/66/92/568826692.db2.gz PDCCRMZRCFDQAI-UHFFFAOYSA-N 0 3 420.538 3.729 50 0 HHAAHN COc1c(Br)cc(Br)cc1CNCCc1ccccn1 ZINC000034991252 568835434 /nfs/dbraw/zinc/83/54/34/568835434.db2.gz FBZKESIQDGOKOM-UHFFFAOYSA-N 0 3 400.114 3.948 50 0 HHAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)[C@@H]1Cc2ccccc2O1 ZINC000057681162 568858184 /nfs/dbraw/zinc/85/81/84/568858184.db2.gz QCDSSQYRARBRNJ-VWLOTQADSA-N 0 3 413.521 3.951 50 0 HHAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)[C@H]1Cc2ccccc2O1 ZINC000057681164 568858205 /nfs/dbraw/zinc/85/82/05/568858205.db2.gz QCDSSQYRARBRNJ-RUZDIDTESA-N 0 3 413.521 3.951 50 0 HHAAHN CCN1CCN(c2ccc(NCc3cc(=O)oc4cc(OC)ccc34)cc2C)CC1 ZINC000057903605 568866739 /nfs/dbraw/zinc/86/67/39/568866739.db2.gz HDBPTAXSRPKSPN-UHFFFAOYSA-N 0 3 407.514 3.864 50 0 HHAAHN O=C(c1cccc(-c2ccc(F)cc2)c1)N1CCC(=O)N(CCN2CCCCC2)CC1 ZINC000299756721 568872829 /nfs/dbraw/zinc/87/28/29/568872829.db2.gz DXWVLCUZSIMVMG-UHFFFAOYSA-N 0 3 423.532 3.653 50 0 HHAAHN CC1(C)C[C@H](C(=O)NC[C@H]2CCC3(CCN(Cc4ccc(F)cc4)CC3)O2)CCO1 ZINC000299770199 568874202 /nfs/dbraw/zinc/87/42/02/568874202.db2.gz QFJSKZJYZRUYPF-TZIWHRDSSA-N 0 3 418.553 3.661 50 0 HHAAHN COC(=O)c1ccc(CN2CCC[C@@H]3CN(C(=O)Cc4ccccc4)CC[C@@H]32)cc1 ZINC000299788096 568875553 /nfs/dbraw/zinc/87/55/53/568875553.db2.gz WLBGGGVRGAWACH-PKTZIBPZSA-N 0 3 406.526 3.529 50 0 HHAAHN O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1OCCN1CCCCC1 ZINC000263587045 568882131 /nfs/dbraw/zinc/88/21/31/568882131.db2.gz BKTSJSJNPVLRTI-UHFFFAOYSA-N 0 3 420.513 3.771 50 0 HHAAHN O=C(NC1CCN(Cc2ccccc2)CC1)N[C@@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000031662845 568929036 /nfs/dbraw/zinc/92/90/36/568929036.db2.gz PNIAURQIGNOZNL-MOPGFXCFSA-N 0 3 413.484 3.840 50 0 HHAAHN Cc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)NCCN3CCCC[C@H]3C)C2)nn1 ZINC000230162228 568951324 /nfs/dbraw/zinc/95/13/24/568951324.db2.gz UYAZVZQXNBLBRO-NHCUHLMSSA-N 0 3 421.589 3.659 50 0 HHAAHN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCCN1CCCC[C@H]1C ZINC000015681437 568967963 /nfs/dbraw/zinc/96/79/63/568967963.db2.gz OTKAYFCUNMFYCM-LJQANCHMSA-N 0 3 405.546 3.884 50 0 HHAAHN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCCN1CCCC[C@@H]1C ZINC000015681438 568968040 /nfs/dbraw/zinc/96/80/40/568968040.db2.gz OTKAYFCUNMFYCM-IBGZPJMESA-N 0 3 405.546 3.884 50 0 HHAAHN O=C(CSc1nc2ccccc2s1)N1CCCSC[C@H]1CN1CCCC1 ZINC000090609001 569042391 /nfs/dbraw/zinc/04/23/91/569042391.db2.gz WCOVWTRWBJSIDX-OAHLLOKOSA-N 0 3 407.630 3.818 50 0 HHAAHN Cc1c(C)c(=O)oc2cc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)ccc12 ZINC000006660036 569084152 /nfs/dbraw/zinc/08/41/52/569084152.db2.gz JCTVQSNDGVVLOX-UHFFFAOYSA-N 0 3 420.509 3.569 50 0 HHAAHN CCc1cccc2c([C@@H](CC(=O)NCCN(C)C)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000006706258 569095237 /nfs/dbraw/zinc/09/52/37/569095237.db2.gz IGVCXUYXZRUBEN-IBGZPJMESA-N 0 3 407.514 3.659 50 0 HHAAHN O=C(Cn1ncc2c3ccccc3[nH]c2c1=O)Nc1ccc(CN2CCCCC2)cc1 ZINC000006937537 569185194 /nfs/dbraw/zinc/18/51/94/569185194.db2.gz KNZXOCMXICBJIE-UHFFFAOYSA-N 0 3 415.497 3.502 50 0 HHAAHN CCN(CC)CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(OC)cc1 ZINC000007263613 569230806 /nfs/dbraw/zinc/23/08/06/569230806.db2.gz LGZMBUZBXFGZIJ-JOCHJYFZSA-N 0 3 420.509 3.997 50 0 HHAAHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000170597466 569242134 /nfs/dbraw/zinc/24/21/34/569242134.db2.gz FLBPPPZJVZBPKC-PKTZIBPZSA-N 0 3 423.557 3.691 50 0 HHAAHN Cc1cc(NCc2cnc3ccc(Br)cn23)cc(N2CCN(C)CC2)c1 ZINC000170608785 569245153 /nfs/dbraw/zinc/24/51/53/569245153.db2.gz NFRNYMHCDNAKQF-UHFFFAOYSA-N 0 3 414.351 3.769 50 0 HHAAHN COc1ccc(C2(C(=O)NC3CCN(Cc4ccccc4)CC3)CCOCC2)cc1 ZINC000071284076 569251981 /nfs/dbraw/zinc/25/19/81/569251981.db2.gz RGXYBIKXKJEZJW-UHFFFAOYSA-N 0 3 408.542 3.524 50 0 HHAAHN Cn1cc(CCC(=O)OC[C@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000252680056 569319915 /nfs/dbraw/zinc/31/99/15/569319915.db2.gz VBXGEFKAIZDEBB-XLIONFOSSA-N 0 3 409.452 3.998 50 0 HHAAHN Cc1cc(C)c(N2CC[C@H](N[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C)C2=O)c(C)c1 ZINC000253429214 569368789 /nfs/dbraw/zinc/36/87/89/569368789.db2.gz MKESYZTUMLPMOO-AQNXPRMDSA-N 0 3 415.578 3.952 50 0 HHAAHN COC(=O)c1ccsc1N1CC[C@H](N[C@H](c2ccc(F)cc2)C2CCC2)C1=O ZINC000078953978 569421997 /nfs/dbraw/zinc/42/19/97/569421997.db2.gz FKYVRHSALSZXPX-ROUUACIJSA-N 0 3 402.491 3.910 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)N(C)CCOc3ccc(F)cc3)c(C)c2)CC1 ZINC000040103848 571164387 /nfs/dbraw/zinc/16/43/87/571164387.db2.gz OSHZXPMRMIQIEV-UHFFFAOYSA-N 0 3 414.525 3.819 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)N[C@@H](C)CCc3ccc(O)cc3)c(C)c2)CC1 ZINC000040103843 571164491 /nfs/dbraw/zinc/16/44/91/571164491.db2.gz KPNFPABQRINSKN-IBGZPJMESA-N 0 3 410.562 3.985 50 0 HHAAHN CC(C(=O)N(C)C1CCCCC1)S(=O)(=O)Cc1csc(-c2cccs2)n1 ZINC000040106198 571166954 /nfs/dbraw/zinc/16/69/54/571166954.db2.gz FKPSIJRAXIWGDG-ZDUSSCGKSA-N 0 3 412.602 3.966 50 0 HHAAHN FC(F)(F)c1ccc(N2CCN(C3CCN(Cc4cccs4)CC3)CC2)nc1 ZINC000244914773 571210439 /nfs/dbraw/zinc/21/04/39/571210439.db2.gz BDMXMFUGBJUJRL-UHFFFAOYSA-N 0 3 410.509 3.949 50 0 HHAAHN COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccc(C)cc2)N(CCCN(C)C)C1=O ZINC000010233221 571297637 /nfs/dbraw/zinc/29/76/37/571297637.db2.gz FJJZQMLCIUZHTL-NRFANRHFSA-N 0 3 406.482 3.607 50 0 HHAAHN COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1cccc2ccccc21)N(C)C ZINC000010333502 571300466 /nfs/dbraw/zinc/30/04/66/571300466.db2.gz UAGKORUJYGJDOP-NRFANRHFSA-N 0 3 405.498 3.514 50 0 HHAAHN Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC000077200879 571313143 /nfs/dbraw/zinc/31/31/43/571313143.db2.gz TYJJAYUDDUWYLI-UHFFFAOYSA-N 0 3 412.534 3.930 50 0 HHAAHN COc1cccc(OC)c1CN1CCC2(CC[C@H](CNC(=O)c3ccccc3)O2)CC1 ZINC000011971525 962217874 /nfs/dbraw/zinc/21/78/74/962217874.db2.gz VKNORHZRJOYNDE-HXUWFJFHSA-N 0 3 424.541 3.647 50 0 HHAAHN COc1cccc(CCNC(=O)[C@@H]2CC23CCN(Cc2ccccc2OC)CC3)c1 ZINC000012181618 962249964 /nfs/dbraw/zinc/24/99/64/962249964.db2.gz QVYGLKMBYHQMJZ-QFIPXVFZSA-N 0 3 408.542 3.665 50 0 HHAAHN O=C(NC[C@@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1)c1cc2ccccc2[nH]1 ZINC000012194769 962252731 /nfs/dbraw/zinc/25/27/31/962252731.db2.gz GNZQGDISSJVYHI-SFHVURJKSA-N 0 3 405.498 3.581 50 0 HHAAHN COc1cccc(CN2CCC[C@@H]3CN(C(=O)Cc4ccccc4)CC[C@@H]32)c1OC ZINC000012449868 962282953 /nfs/dbraw/zinc/28/29/53/962282953.db2.gz UXUSRDHVLYTVKC-IRLDBZIGSA-N 0 3 408.542 3.759 50 0 HHAAHN CN(C)c1ncc(CN2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)s1 ZINC000012467641 962283563 /nfs/dbraw/zinc/28/35/63/962283563.db2.gz SGJAMJXECQHAMK-HNNXBMFYSA-N 0 3 422.545 3.796 50 0 HHAAHN COc1cc(C(=O)N(C)CCOc2ccc(C)cc2)ccc1OC1CCN(C)CC1 ZINC000012763939 962325911 /nfs/dbraw/zinc/32/59/11/962325911.db2.gz JSFPBAQHWDEANZ-UHFFFAOYSA-N 0 3 412.530 3.628 50 0 HHAAHN c1nn(-c2ccccc2)cc1CN1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020908873 963403497 /nfs/dbraw/zinc/40/34/97/963403497.db2.gz XMMHMPYAMMSWSM-RUZDIDTESA-N 0 3 401.558 3.659 50 0 HHAAHN Cc1oc2c(c1C(=O)NCCN1CCCC[C@H]1C)CN(Cc1cccc(F)c1)CC2 ZINC000169750496 970468076 /nfs/dbraw/zinc/46/80/76/970468076.db2.gz FCFXUMTURYJEOX-QGZVFWFLSA-N 0 3 413.537 3.890 50 0 HHAAHN COCCN1CCC2(CC1)CN(Cc1cccc(F)c1F)Cc1ccccc1O2 ZINC000257183328 970620094 /nfs/dbraw/zinc/62/00/94/970620094.db2.gz HJJYIFAPGXIWLL-UHFFFAOYSA-N 0 3 402.485 3.840 50 0 HHAAHN CC(=O)N(c1nc(/C=C/C(=O)N2CCN(CC(C)C)CC2)cs1)c1ccccc1 ZINC000040160080 519474698 /nfs/dbraw/zinc/47/46/98/519474698.db2.gz DTMFHVRPEOHAMK-MDZDMXLPSA-N 0 3 412.559 3.641 50 0 HHAAHN CCOc1cc(CN2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)ccc1O ZINC000020537396 520700029 /nfs/dbraw/zinc/70/00/29/520700029.db2.gz OCZVVGZDVOFFIZ-FQEVSTJZSA-N 0 3 413.537 3.717 50 0 HHAAHN COc1cc(CN2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc(OC)c1 ZINC000020543192 522378891 /nfs/dbraw/zinc/37/88/91/522378891.db2.gz YEAZZPVEQHREAZ-QFIPXVFZSA-N 0 3 413.537 3.630 50 0 HHAAHN Cc1ccccc1CN1CCC(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000053968172 525138230 /nfs/dbraw/zinc/13/82/30/525138230.db2.gz CMMMPALXZGWOOM-UHFFFAOYSA-N 0 3 414.933 3.743 50 0 HHAAHN COc1ccc([C@@H](CNc2ccc3nnc(C(F)(F)F)n3n2)N2CCCCC2)cc1 ZINC000032869497 525187670 /nfs/dbraw/zinc/18/76/70/525187670.db2.gz SFHZAPFRBAXOJC-MRXNPFEDSA-N 0 3 420.439 3.791 50 0 HHAAHN c1cc(CN2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)n(-c2ccccn2)c1 ZINC000020538566 526424766 /nfs/dbraw/zinc/42/47/66/526424766.db2.gz DZDQNOPGIHQEMH-QHCPKHFHSA-N 0 3 401.558 3.659 50 0 HHAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(CSc2nc[nH]n2)cc1 ZINC000040160061 526492449 /nfs/dbraw/zinc/49/24/49/526492449.db2.gz BYIWOTXNMBQNCY-FQEVSTJZSA-N 0 3 407.543 3.664 50 0 HHAAHN CCOC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C1CC(=O)Nc1ccc(F)cc1 ZINC000001026911 557145373 /nfs/dbraw/zinc/14/53/73/557145373.db2.gz DOTBKKGDHAEVOJ-SFHVURJKSA-N 0 3 414.408 3.794 50 0 HHAAHN CN(CCCNC(=O)COCc1cc(-c2ccc(F)cc2)on1)Cc1ccccc1 ZINC000006876465 557728076 /nfs/dbraw/zinc/72/80/76/557728076.db2.gz MLLIIZBHMUFJKF-UHFFFAOYSA-N 0 3 411.477 3.636 50 0 HHAAHN CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000008745110 557804642 /nfs/dbraw/zinc/80/46/42/557804642.db2.gz FFHDZCDLBYLUEI-UHFFFAOYSA-N 0 3 419.447 3.801 50 0 HHAAHN Cc1nnc(SCc2cc(=O)[nH]c(NC(=N)Nc3cccc(Cl)c3C)n2)s1 ZINC000009938586 557851984 /nfs/dbraw/zinc/85/19/84/557851984.db2.gz WBDNMIDQYSJCMI-UHFFFAOYSA-N 0 3 421.939 3.643 50 0 HHAAHN COCCNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)c(Cl)c1 ZINC000011762021 558273340 /nfs/dbraw/zinc/27/33/40/558273340.db2.gz OTOWPXBLZBLDOQ-UHFFFAOYSA-N 0 3 416.949 3.802 50 0 HHAAHN CCCCN(C)C(=O)c1nc2ccccn2c1CNCCCn1ncc2ccccc21 ZINC000011819763 558282969 /nfs/dbraw/zinc/28/29/69/558282969.db2.gz OILXVQRPYDFDGQ-UHFFFAOYSA-N 0 3 418.545 3.736 50 0 HHAAHN FC(F)(F)c1cccc(N2CCN([C@@H]3CCCN(Cc4cccnc4)C3)CC2)c1 ZINC000019798620 558284835 /nfs/dbraw/zinc/28/48/35/558284835.db2.gz MORMPUYFYCRRMZ-OAQYLSRUSA-N 0 3 404.480 3.887 50 0 HHAAHN CCOC(=O)[C@@]1(CCc2ccccc2)CCCN(Cc2ccccc2OCCO)C1 ZINC000011843122 558288200 /nfs/dbraw/zinc/28/82/00/558288200.db2.gz LGOMANUODBUGRC-RUZDIDTESA-N 0 3 411.542 3.836 50 0 HHAAHN COc1cccc2ccc(CN3CCC(CCC(=O)NC[C@@H]4CCCO4)CC3)nc21 ZINC000011952864 558303083 /nfs/dbraw/zinc/30/30/83/558303083.db2.gz OQHYXONBRDCHST-NRFANRHFSA-N 0 3 411.546 3.531 50 0 HHAAHN OC[C@H]1CCCCN1Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000012028394 558310726 /nfs/dbraw/zinc/31/07/26/558310726.db2.gz KZMPPEGHWBFNSS-OAQYLSRUSA-N 0 3 405.498 3.674 50 0 HHAAHN CC(=O)Nc1cccc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccc(F)cc3)C2)c1 ZINC000012093296 558324747 /nfs/dbraw/zinc/32/47/47/558324747.db2.gz MQSGBXKYLGZAAP-FQEVSTJZSA-N 0 3 411.521 3.811 50 0 HHAAHN COc1ccc(-n2cc(CN[C@H]3CCCCNC3=O)c(-c3ccccc3Cl)n2)cc1 ZINC000012197109 558350254 /nfs/dbraw/zinc/35/02/54/558350254.db2.gz RWMXAEURGVQPJJ-NRFANRHFSA-N 0 3 424.932 3.960 50 0 HHAAHN CCc1ccc(CN2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc4c(c3)OCO4)C2)cc1 ZINC000012282053 558365336 /nfs/dbraw/zinc/36/53/36/558365336.db2.gz YFWALYRLSSGXLO-YADHBBJMSA-N 0 3 406.526 3.991 50 0 HHAAHN CC(C)c1ccc(CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1 ZINC000020455623 558369229 /nfs/dbraw/zinc/36/92/29/558369229.db2.gz FUUUYBQSYFZMFU-UHFFFAOYSA-N 0 3 421.520 3.529 50 0 HHAAHN CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)CCn1cnc2ccccc21 ZINC000012314690 558378064 /nfs/dbraw/zinc/37/80/64/558378064.db2.gz QKDRCQHSWQZVEV-UHFFFAOYSA-N 0 3 422.548 3.979 50 0 HHAAHN CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)CSc1ccncc1 ZINC000012315085 558378571 /nfs/dbraw/zinc/37/85/71/558378571.db2.gz JNEZHKRPGKZHAX-SFHVURJKSA-N 0 3 401.551 3.726 50 0 HHAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)CCn1cnc2ccccc21 ZINC000012315911 558379343 /nfs/dbraw/zinc/37/93/43/558379343.db2.gz VYJGOACNRFKUPC-UHFFFAOYSA-N 0 3 422.548 3.979 50 0 HHAAHN Cc1nc2sccn2c1CN1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020512105 558382320 /nfs/dbraw/zinc/38/23/20/558382320.db2.gz DSWAEPPSBOJJAM-HXUWFJFHSA-N 0 3 413.566 3.630 50 0 HHAAHN Clc1cccc(N2CCN([C@H]3CCCN(Cc4ccc5nonc5c4)C3)CC2)c1 ZINC000020534144 558385507 /nfs/dbraw/zinc/38/55/07/558385507.db2.gz YFPTWHYSRQMSGA-FQEVSTJZSA-N 0 3 411.937 3.663 50 0 HHAAHN COc1cccc(C[C@]2(CO)CCCN(CC3=Cc4cc(OC)ccc4OC3)C2)c1 ZINC000012386295 558395073 /nfs/dbraw/zinc/39/50/73/558395073.db2.gz NWQCCLJPCLAEDN-RUZDIDTESA-N 0 3 409.526 3.797 50 0 HHAAHN CC(=O)c1ccc(OCC(=O)N(C)[C@@H]2CCCN(CCCc3ccccc3)C2)cc1 ZINC000012432866 558406970 /nfs/dbraw/zinc/40/69/70/558406970.db2.gz ANQKKYALLDXINW-HSZRJFAPSA-N 0 3 408.542 3.824 50 0 HHAAHN CCn1ccnc1CN(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012433350 558407257 /nfs/dbraw/zinc/40/72/57/558407257.db2.gz PZPMXZPSMWXHAL-JOCHJYFZSA-N 0 3 414.569 3.935 50 0 HHAAHN CC[C@@H](Nc1ncnc2sc(C(=O)NCCN(C)C)c(C)c21)c1cccs1 ZINC000012450363 558416034 /nfs/dbraw/zinc/41/60/34/558416034.db2.gz ZBGWESZCPXMKSL-CYBMUJFWSA-N 0 3 403.577 3.916 50 0 HHAAHN COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(Cc3cnn(C)c3)C2)cc1 ZINC000012465512 558420517 /nfs/dbraw/zinc/42/05/17/558420517.db2.gz SHXZBFQZOYUPKN-FQEVSTJZSA-N 0 3 404.514 3.946 50 0 HHAAHN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(Cc2ccc(OCC)c(CO)c2)C1 ZINC000012471993 558422100 /nfs/dbraw/zinc/42/21/00/558422100.db2.gz QMAUMZAPPZLPJB-RUZDIDTESA-N 0 3 411.542 3.966 50 0 HHAAHN Cc1ccc(C)c(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c1 ZINC000020993880 558426639 /nfs/dbraw/zinc/42/66/39/558426639.db2.gz HOXXHZMKITYHDE-JOCHJYFZSA-N 0 3 421.545 3.673 50 0 HHAAHN COc1ccc(CC(=O)N(C)C[C@@H]2CCCN(CCc3ccccc3OC)C2)cc1 ZINC000012586160 558434177 /nfs/dbraw/zinc/43/41/77/558434177.db2.gz JYPOOHGBVRPMHO-NRFANRHFSA-N 0 3 410.558 3.659 50 0 HHAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 ZINC000021795137 558449144 /nfs/dbraw/zinc/44/91/44/558449144.db2.gz ZBOCLKZODPCHFK-UHFFFAOYSA-N 0 3 414.941 3.783 50 0 HHAAHN Cc1cccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)c1C ZINC000021795200 558449646 /nfs/dbraw/zinc/44/96/46/558449646.db2.gz DNWDKFDBOQJLHD-UHFFFAOYSA-N 0 3 408.550 3.746 50 0 HHAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)[C@H]1COc2ccccc2C1 ZINC000012713402 558453756 /nfs/dbraw/zinc/45/37/56/558453756.db2.gz JEFXCBJXTXZNQS-JOCHJYFZSA-N 0 3 410.533 3.790 50 0 HHAAHN COc1cc(C(=O)NCCc2ccccc2Cl)ccc1OC1CCN(C)CC1 ZINC000012751077 558459130 /nfs/dbraw/zinc/45/91/30/558459130.db2.gz SMAVIZXNLZASSU-UHFFFAOYSA-N 0 3 402.922 3.794 50 0 HHAAHN COc1cc([C@H](C)O)ccc1COc1ccc(CNC[C@@H]2CCCO2)cc1OC ZINC000012910070 558484438 /nfs/dbraw/zinc/48/44/38/558484438.db2.gz QOQJZCQGABFMGG-JXFKEZNVSA-N 0 3 401.503 3.605 50 0 HHAAHN CCOc1ccc(CN2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)cc1CO ZINC000023360953 558552183 /nfs/dbraw/zinc/55/21/83/558552183.db2.gz CCRXXXKIODCOHH-DEOSSOPVSA-N 0 3 423.601 3.673 50 0 HHAAHN COc1ccccc1N1CCN([C@@H]2CCCN(Cc3cn(C)c4ccccc34)C2)CC1 ZINC000023374865 558554587 /nfs/dbraw/zinc/55/45/87/558554587.db2.gz JDAMHLWBJLUCAM-JOCHJYFZSA-N 0 3 418.585 3.974 50 0 HHAAHN O=C(CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccccc1Cl ZINC000023382194 558555702 /nfs/dbraw/zinc/55/57/02/558555702.db2.gz USVCSIJAKIHJPD-IFXJQAMLSA-N 0 3 424.888 3.785 50 0 HHAAHN CCc1ccccc1NC(=O)CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21 ZINC000023382215 558555750 /nfs/dbraw/zinc/55/57/50/558555750.db2.gz NIWLIVVGVCOYPG-UTKZUKDTSA-N 0 3 418.497 3.694 50 0 HHAAHN Cc1ccc(NC(=O)CC2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)cc1 ZINC000023411672 558557828 /nfs/dbraw/zinc/55/78/28/558557828.db2.gz CASCNTPYVNBPJT-OAQYLSRUSA-N 0 3 411.465 3.856 50 0 HHAAHN Cc1nn(-c2ccccc2)c(C)c1CNC[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000023881915 558579903 /nfs/dbraw/zinc/57/99/03/558579903.db2.gz DPAMPTPJFUTOHU-QFIPXVFZSA-N 0 3 409.603 3.629 50 0 HHAAHN O=C(NCC1(N2CCSCC2)CCCC1)C1(c2cccc(Br)c2)CC1 ZINC000069929426 558626316 /nfs/dbraw/zinc/62/63/16/558626316.db2.gz GCIZTSNPEDGKDE-UHFFFAOYSA-N 0 3 423.420 3.959 50 0 HHAAHN COc1ccc(NC(C)=O)cc1NC(=O)CN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000014196790 558633612 /nfs/dbraw/zinc/63/36/12/558633612.db2.gz YTHRFTCYGNOIGD-NRFANRHFSA-N 0 3 401.894 3.986 50 0 HHAAHN CCN1C(=O)N(C)C(=O)C12CCN(Cc1ccc(-c3ccccc3Cl)o1)CC2 ZINC000014540483 558659675 /nfs/dbraw/zinc/65/96/75/558659675.db2.gz BJRLYYGBKQLRSF-UHFFFAOYSA-N 0 3 401.894 3.849 50 0 HHAAHN COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1ccccc1)CC2 ZINC000014542653 558660533 /nfs/dbraw/zinc/66/05/33/558660533.db2.gz NUSWZONCPJKUKB-UHFFFAOYSA-N 0 3 421.541 3.522 50 0 HHAAHN CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H](NCc1ccccc1Cl)CC2 ZINC000014732115 558665605 /nfs/dbraw/zinc/66/56/05/558665605.db2.gz YFTMZPSBMGASGE-LJQANCHMSA-N 0 3 422.960 3.934 50 0 HHAAHN Cc1nc(C(=O)NC[C@H]2CCC3(CCN(Cc4ccc(F)cc4)CC3)O2)cs1 ZINC000014879508 558675520 /nfs/dbraw/zinc/67/55/20/558675520.db2.gz OCMDBIPWJRLCMI-GOSISDBHSA-N 0 3 403.523 3.534 50 0 HHAAHN COc1ccc(OCC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCCC2)cc1 ZINC000027664219 558679505 /nfs/dbraw/zinc/67/95/05/558679505.db2.gz VEOPXJVTPONFOQ-QHCPKHFHSA-N 0 3 412.530 3.816 50 0 HHAAHN O=C1CC[C@@H](CCNCc2cc3c(cc2Cl)OCO3)N1CCc1ccccc1F ZINC000014959107 558683395 /nfs/dbraw/zinc/68/33/95/558683395.db2.gz RSLFTPMNDYTWIQ-KRWDZBQOSA-N 0 3 418.896 3.921 50 0 HHAAHN O=C1CC[C@H](CCNCc2cc3c(cc2Cl)OCO3)N1CCc1ccccc1F ZINC000014959103 558683431 /nfs/dbraw/zinc/68/34/31/558683431.db2.gz RSLFTPMNDYTWIQ-QGZVFWFLSA-N 0 3 418.896 3.921 50 0 HHAAHN CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(Cc2cnc(N(C)C)s2)C1 ZINC000015078070 558717728 /nfs/dbraw/zinc/71/77/28/558717728.db2.gz GGRPZBIYIVCRSG-QFIPXVFZSA-N 0 3 417.575 3.824 50 0 HHAAHN C[C@H](NC(=O)CN(C)C1CCN(CCc2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000072308296 558770282 /nfs/dbraw/zinc/77/02/82/558770282.db2.gz BJXOJLGTLJBLNH-SFHVURJKSA-N 0 3 414.981 3.551 50 0 HHAAHN CCOC(=O)N1CCC(N(CCN(C)C)C(=S)Nc2cccc(SC)c2)CC1 ZINC000004669449 558877201 /nfs/dbraw/zinc/87/72/01/558877201.db2.gz GYHMCLLKWQRWRI-UHFFFAOYSA-N 0 3 424.636 3.590 50 0 HHAAHN c1sc2nc(CN3CCOCC3)nc(NCCN3CCCC3)c2c1-c1ccccc1 ZINC000058017562 558895682 /nfs/dbraw/zinc/89/56/82/558895682.db2.gz OGDNVHPKMYNCMV-UHFFFAOYSA-N 0 3 423.586 3.698 50 0 HHAAHN CC1CCN([C@H](CNC(=O)Nc2cccnc2-n2cccn2)c2cccs2)CC1 ZINC000058197548 558911155 /nfs/dbraw/zinc/91/11/55/558911155.db2.gz NIHVAVKVMLDUBV-GOSISDBHSA-N 0 3 410.547 3.924 50 0 HHAAHN COc1cc(C)c(-c2nc(CN3CCC[C@@H](CN4CCOCC4)C3)c(C)o2)cc1C ZINC000067755358 558992321 /nfs/dbraw/zinc/99/23/21/558992321.db2.gz FAXBDCSMOVGXQQ-FQEVSTJZSA-N 0 3 413.562 3.820 50 0 HHAAHN CN(C)CCOc1cccc2c1c(NC(=O)N1CCCC1)nn2-c1ccc(F)cc1 ZINC000077538165 559008676 /nfs/dbraw/zinc/00/86/76/559008676.db2.gz DQJBEEJVIBTNNJ-UHFFFAOYSA-N 0 3 411.481 3.733 50 0 HHAAHN O=S(=O)(NCC1CCN(Cc2cccs2)CC1)c1ccc(F)c(Cl)c1 ZINC000023127709 559015989 /nfs/dbraw/zinc/01/59/89/559015989.db2.gz QGIBKIGOBPAVLU-UHFFFAOYSA-N 0 3 402.944 3.731 50 0 HHAAHN Cc1ccc(Cl)cc1NC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000023127548 559016063 /nfs/dbraw/zinc/01/60/63/559016063.db2.gz RMKDEBISULXAAC-UHFFFAOYSA-N 0 3 405.951 3.677 50 0 HHAAHN CCn1c(C)cc(O)c([C@H](c2ccc(OC)c(OC)c2)N2CCC(C)CC2)c1=O ZINC000024022983 559187853 /nfs/dbraw/zinc/18/78/53/559187853.db2.gz CRMNTAUJXOZCFX-QFIPXVFZSA-N 0 3 400.519 3.721 50 0 HHAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000102713092 560822931 /nfs/dbraw/zinc/82/29/31/560822931.db2.gz RAXYROGTNMRWJD-FDFHNCONSA-N 0 3 400.434 3.752 50 0 HHAAHN O=C(NCc1ccccc1CN1CCCCC1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000048221537 568432464 /nfs/dbraw/zinc/43/24/64/568432464.db2.gz HFTHEDRJGSYDLB-OAQYLSRUSA-N 0 3 406.574 3.998 50 0 HHAAHN O=C(NC[C@H]1CCCO1)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000000778770 568473819 /nfs/dbraw/zinc/47/38/19/568473819.db2.gz ALMCLYYSAPXNEO-XMMPIXPASA-N 0 3 408.542 3.773 50 0 HHAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1csc2c1CCCCC2 ZINC000020379944 568602466 /nfs/dbraw/zinc/60/24/66/568602466.db2.gz ITOSMRHQVXSDLX-UHFFFAOYSA-N 0 3 411.615 3.955 50 0 HHAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020728725 568640656 /nfs/dbraw/zinc/64/06/56/568640656.db2.gz SLSNKLFXMZPEMH-ALDSOSFCSA-N 0 3 407.539 3.986 50 0 HHAAHN CC(=O)N1CC[C@@H](NCc2cccc(Cn3ccnc3C)c2)c2ccc(F)cc2C1 ZINC000225614908 568657151 /nfs/dbraw/zinc/65/71/51/568657151.db2.gz VUYBGEVWIIOPSX-XMMPIXPASA-N 0 3 406.505 3.962 50 0 HHAAHN COCCn1c(C)cc(O)c([C@@H](c2ccc(SC)cc2)N2CCCCC2)c1=O ZINC000021097952 568665376 /nfs/dbraw/zinc/66/53/76/568665376.db2.gz OPJJFSVMRABEEA-OAQYLSRUSA-N 0 3 402.560 3.806 50 0 HHAAHN O=C(O[C@H]1CCN(CCc2ccccc2)C1)C(O)(c1ccccc1)c1ccccc1 ZINC000096026672 568686772 /nfs/dbraw/zinc/68/67/72/568686772.db2.gz GPQNKPHQEHQXEP-DEOSSOPVSA-N 0 3 401.506 3.783 50 0 HHAAHN CCC[C@@H]1[C@@H]2C(=O)N(c3ccccc3Br)C(=O)C2ON1c1ccccc1 ZINC000226981205 568698939 /nfs/dbraw/zinc/69/89/39/568698939.db2.gz JPAGAUXKVTXNOI-FGTMMUONSA-N 0 3 415.287 3.928 50 0 HHAAHN CCN(CC)CCOC(=O)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000021789032 568753020 /nfs/dbraw/zinc/75/30/20/568753020.db2.gz SFZLZHFKOGNICI-UHFFFAOYSA-N 0 3 412.437 3.975 50 0 HHAAHN CCCn1cc([C@@H]2C[C@H]3CN(Cc4ccc(OC)cc4)C(=O)[C@]34CCCN24)c(C)n1 ZINC000012458541 568756378 /nfs/dbraw/zinc/75/63/78/568756378.db2.gz PLTDOLMVSPSFJU-APTRMMRNSA-N 0 3 408.546 3.548 50 0 HHAAHN CC[C@H](C)NCC(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl ZINC000005955750 568832181 /nfs/dbraw/zinc/83/21/81/568832181.db2.gz VXQNQPUDZRPCMP-HNNXBMFYSA-N 0 3 423.966 3.882 50 0 HHAAHN CC[C@H](C)c1ccc([C@@H](NCC(=O)N2CCN(c3ncccn3)CC2)C(C)C)cc1 ZINC000057455982 568837832 /nfs/dbraw/zinc/83/78/32/568837832.db2.gz WCBDYUKMTXXBEI-CVDCTZTESA-N 0 3 409.578 3.626 50 0 HHAAHN COc1cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)ccc1OCc1c(C)noc1C ZINC000003323920 568854598 /nfs/dbraw/zinc/85/45/98/568854598.db2.gz USUVCJLABUOKFJ-NRFANRHFSA-N 0 3 423.513 3.912 50 0 HHAAHN COc1ccc2cc(CNCCc3ccc(F)cc3)c(N3CCC[C@@H](CO)C3)nc2c1 ZINC000299796125 568876327 /nfs/dbraw/zinc/87/63/27/568876327.db2.gz NKTAIXLYAMSGHJ-LJQANCHMSA-N 0 3 423.532 3.924 50 0 HHAAHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000012765490 568948055 /nfs/dbraw/zinc/94/80/55/568948055.db2.gz APKFEBJYYSNGKU-OAQYLSRUSA-N 0 3 421.928 3.554 50 0 HHAAHN Clc1cc(CNCc2ccccc2CN2CCOCC2)cc2c1OCCCO2 ZINC000007985803 568964580 /nfs/dbraw/zinc/96/45/80/568964580.db2.gz WCEUSISGWIVVLL-UHFFFAOYSA-N 0 3 402.922 3.623 50 0 HHAAHN CC(C)NC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000035107829 568991956 /nfs/dbraw/zinc/99/19/56/568991956.db2.gz MWHAEIYCMQZNGZ-GHTZIAJQSA-N 0 3 424.593 3.646 50 0 biogenic HHAAHN CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCC1CCN(Cc2ccc(C)cc2)CC1 ZINC000015773659 568998886 /nfs/dbraw/zinc/99/88/86/568998886.db2.gz KXBZXOZAOWUUQP-DEOSSOPVSA-N 0 3 419.569 3.691 50 0 HHAAHN CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC000015773730 568998893 /nfs/dbraw/zinc/99/88/93/568998893.db2.gz CTJFRZGLMFWVQR-QHCPKHFHSA-N 0 3 423.532 3.522 50 0 HHAAHN CC(C)N1CCC(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)CC1 ZINC000013009005 569049909 /nfs/dbraw/zinc/04/99/09/569049909.db2.gz NDMGOHFITBBKEV-UHFFFAOYSA-N 0 3 413.522 3.738 50 0 HHAAHN CCn1cc(CN2CCC(C(=O)NC[C@@H]3CCCO3)CC2)c2cc(Cl)ccc21 ZINC000064669724 569078853 /nfs/dbraw/zinc/07/88/53/569078853.db2.gz IWBOLJYGECJZPZ-IBGZPJMESA-N 0 3 403.954 3.822 50 0 HHAAHN CN(C)CCN(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)C(C)(C)C ZINC000006696061 569091709 /nfs/dbraw/zinc/09/17/09/569091709.db2.gz UMWKDEXFOIDISP-UHFFFAOYSA-N 0 3 416.610 3.818 50 0 HHAAHN O=C(CCCn1sc2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000006800185 569126894 /nfs/dbraw/zinc/12/68/94/569126894.db2.gz GWCHCCHFXACPJM-UHFFFAOYSA-N 0 3 409.555 3.624 50 0 HHAAHN Cc1ccccc1Oc1nccnc1SCC(=O)NCCN1CCC[C@@H](C)C1 ZINC000065111224 569178803 /nfs/dbraw/zinc/17/88/03/569178803.db2.gz WGQGNQYBEYPAHJ-MRXNPFEDSA-N 0 3 400.548 3.518 50 0 HHAAHN COc1ccc(NC(=O)c2ccnc(N3CCN[C@@H](c4ccccc4)C3)c2)cc1OC ZINC000065255924 569208006 /nfs/dbraw/zinc/20/80/06/569208006.db2.gz DNGRDEARFBJROK-HXUWFJFHSA-N 0 3 418.497 3.502 50 0 HHAAHN O=C(NCc1ccc(Cl)cc1)c1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1 ZINC000065256117 569208178 /nfs/dbraw/zinc/20/81/78/569208178.db2.gz NGWYIFUFURMBCE-OAQYLSRUSA-N 0 3 406.917 3.816 50 0 HHAAHN COc1ccc(NC(=O)c2ccc(N3CCN[C@H](c4ccccc4)C3)nc2)cc1OC ZINC000065256092 569208252 /nfs/dbraw/zinc/20/82/52/569208252.db2.gz NIQUEUYBZRQVQR-FQEVSTJZSA-N 0 3 418.497 3.502 50 0 HHAAHN COc1ccc(CN[C@H]2CCN(c3ccc(C(=O)Nc4ccc(F)cc4)cn3)C2)cc1 ZINC000065257018 569208568 /nfs/dbraw/zinc/20/85/68/569208568.db2.gz UMZDBIHBAWNKRN-NRFANRHFSA-N 0 3 420.488 3.850 50 0 HHAAHN COC[C@H](NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000252537339 569293105 /nfs/dbraw/zinc/29/31/05/569293105.db2.gz KYRLKKDTSBXEHV-HBMCJLEFSA-N 0 3 408.464 3.618 50 0 HHAAHN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CCN1CCc2ccccc2C1 ZINC000002349080 569380586 /nfs/dbraw/zinc/38/05/86/569380586.db2.gz PLFMRJWYEHIVPE-UHFFFAOYSA-N 0 3 409.461 3.871 50 0 HHAAHN Cc1ccc(NC(=O)C2CCN(CCC(=O)Nc3ccc4c(c3)CCC4)CC2)nc1 ZINC000078726167 569420044 /nfs/dbraw/zinc/42/00/44/569420044.db2.gz JJJVVIZVIMYJOH-UHFFFAOYSA-N 0 3 406.530 3.558 50 0 HHAAHN CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000008583663 571082681 /nfs/dbraw/zinc/08/26/81/571082681.db2.gz BNEGSXFLQWONTO-JOCHJYFZSA-N 0 3 420.509 3.997 50 0 HHAAHN O=C(Nc1cc(Cl)ccc1N1CCOCC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000040103431 571163849 /nfs/dbraw/zinc/16/38/49/571163849.db2.gz XJLLNKMIHPANSR-LJQANCHMSA-N 0 3 414.937 3.573 50 0 HHAAHN COc1ccc(CN(C[C@@H](O)COc2ccc(Cl)cc2)C[C@H]2CCCO2)cc1 ZINC000245229158 571218109 /nfs/dbraw/zinc/21/81/09/571218109.db2.gz PAWORNMZZRBLRK-DENIHFKCSA-N 0 3 405.922 3.770 50 0 HHAAHN COCCN(C[C@H]1CN(Cc2ccc[nH]2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000245328864 571225564 /nfs/dbraw/zinc/22/55/64/571225564.db2.gz QHTQETRUAUTZJL-KNQAVFIVSA-N 0 3 401.526 3.500 50 0 HHAAHN CSc1cccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)N(C)C)c1 ZINC000010333537 571300575 /nfs/dbraw/zinc/30/05/75/571300575.db2.gz BEHSGJIFTSJCNN-NRFANRHFSA-N 0 3 407.539 3.919 50 0 HHAAHN O=C(NC[C@@H](c1cccc2ccccc21)N1CCCC1)C(=O)Nc1ccc(F)cc1 ZINC000010334042 571300696 /nfs/dbraw/zinc/30/06/96/571300696.db2.gz LIHAAQXEJVZOQS-QFIPXVFZSA-N 0 3 405.473 3.871 50 0 HHAAHN Cc1ccc2cc(C(=O)Nc3ccccc3CN3CCC[C@@H](C(N)=O)C3)c(C)nc2c1 ZINC000071862938 571303768 /nfs/dbraw/zinc/30/37/68/571303768.db2.gz HDLQMSQXOINFDY-HXUWFJFHSA-N 0 3 416.525 3.801 50 0 HHAAHN COc1cc(CN2CCC3(C[C@@H]3C(=O)NCCc3ccccc3)CC2)cc(OC)c1 ZINC000012004144 962221673 /nfs/dbraw/zinc/22/16/73/962221673.db2.gz VANOVDHETJXVEQ-HSZRJFAPSA-N 0 3 408.542 3.665 50 0 HHAAHN O=C(NC1CC1)c1cn(C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)nn1 ZINC000012150243 962246433 /nfs/dbraw/zinc/24/64/33/962246433.db2.gz JETSTZIZORMFFP-UHFFFAOYSA-N 0 3 417.513 3.800 50 0 HHAAHN Cc1cc(C(=O)NCc2nnc3n2CCN(Cc2ccc(C(C)C)cc2)CC3)c(C)o1 ZINC000012183390 962250112 /nfs/dbraw/zinc/25/01/12/962250112.db2.gz PSIJCWKREJNALJ-UHFFFAOYSA-N 0 3 421.545 3.600 50 0 HHAAHN COc1ccccc1N1CCN([C@H]2CCCN(Cc3cc4ccccc4[nH]3)C2)CC1 ZINC000019794472 963374996 /nfs/dbraw/zinc/37/49/96/963374996.db2.gz PCMMFBHSYMOATD-QFIPXVFZSA-N 0 3 404.558 3.963 50 0 HHAAHN Cn1cc(CN2CCCN(Cc3cccs3)CC2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000019836699 963375145 /nfs/dbraw/zinc/37/51/45/963375145.db2.gz BCYPYDFMIXCZKL-UHFFFAOYSA-N 0 3 424.570 3.628 50 0 HHAAHN COc1ccc2c(c1)C=C(CN1CCC[C@H](N3CCN(c4ccccc4)CC3)C1)CO2 ZINC000020780722 963395380 /nfs/dbraw/zinc/39/53/80/963395380.db2.gz ULGWQMOIDSHDAS-DEOSSOPVSA-N 0 3 419.569 3.758 50 0 HHAAHN O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000022312753 963632336 /nfs/dbraw/zinc/63/23/36/963632336.db2.gz QMESPOBNCNYCAP-JTPHSUOKSA-N 0 3 409.555 3.841 50 0 HHAAHN Cn1cc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)c(-c2ccccc2)n1 ZINC000023145154 963774873 /nfs/dbraw/zinc/77/48/73/963774873.db2.gz UQECSUXYMZJBMK-VWLOTQADSA-N 0 3 418.585 3.589 50 0 HHAAHN Cc1cccc(Cc2nnc(CCC(=O)N[C@H]3CCCN(Cc4ccccc4)C3)o2)c1 ZINC000023153542 963775845 /nfs/dbraw/zinc/77/58/45/963775845.db2.gz XWECUWZDZLZHKH-QFIPXVFZSA-N 0 3 418.541 3.682 50 0 HHAAHN Cc1ccc2nc(OCc3ccccc3C)c(CNCCN3CCOCC3)cc2c1 ZINC000023581169 963855817 /nfs/dbraw/zinc/85/58/17/963855817.db2.gz ZOUUPNCQSANVQW-UHFFFAOYSA-N 0 3 405.542 3.852 50 0 HHAAHN CC[C@@H]1CN(CCC(=O)N2CCc3sccc3C2)Cc2cc(OC)ccc2O1 ZINC000299791944 970723671 /nfs/dbraw/zinc/72/36/71/970723671.db2.gz DLLCDWVOLMDSMP-GOSISDBHSA-N 0 3 400.544 3.705 50 0 HHAAHN CCCCc1ccc(NC(=O)N[C@@H]2CCN(c3cc(N4CCCC4)cnn3)C2)cc1 ZINC000409419927 972890527 /nfs/dbraw/zinc/89/05/27/972890527.db2.gz RVOUKZQPNPRWBZ-HXUWFJFHSA-N 0 3 408.550 3.820 50 0 HHAAHN CSc1ccc(CN2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000004674666 132282050 /nfs/dbraw/zinc/28/20/50/132282050.db2.gz ACJBGPKMPOQFGJ-UHFFFAOYSA-N 0 3 409.599 3.969 50 0 HHAAHN Clc1ccccc1Cn1ncc2c1ncnc2N1CCN(C2CCCCC2)CC1 ZINC000006759821 132315109 /nfs/dbraw/zinc/31/51/09/132315109.db2.gz ARBNAGWDUWBTRY-UHFFFAOYSA-N 0 3 410.953 3.983 50 0 HHAAHN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN(C)C1CCCCC1 ZINC000006910632 132320336 /nfs/dbraw/zinc/32/03/36/132320336.db2.gz ZDLXRMBCZOEWBU-UHFFFAOYSA-N 0 3 419.566 3.524 50 0 HHAAHN CC(C)NC(=O)[C@@H]1C[C@@H](NCc2ccc(F)cc2)CN1Cc1cccc(Cl)c1 ZINC000032565479 519714918 /nfs/dbraw/zinc/71/49/18/519714918.db2.gz CKEGYIGRVBBALO-RTWAWAEBSA-N 0 3 403.929 3.736 50 0 HHAAHN CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)noc1N(CC)CC)CC1CC1 ZINC000036246110 520095181 /nfs/dbraw/zinc/09/51/81/520095181.db2.gz WBHSRYLGPIHPBB-FQEVSTJZSA-N 0 3 401.551 3.797 50 0 HHAAHN CCN(CC)[C@@H](CNC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000043193442 520835132 /nfs/dbraw/zinc/83/51/32/520835132.db2.gz KXBIJYCEIHVHSR-FQEVSTJZSA-N 0 3 402.564 3.789 50 0 HHAAHN CCN(CC)[C@H](CNC(=O)CCCn1c(=O)oc2ccccc21)c1ccsc1 ZINC000031988382 520861299 /nfs/dbraw/zinc/86/12/99/520861299.db2.gz MGCOJMIQGQBMGH-GOSISDBHSA-N 0 3 401.532 3.636 50 0 HHAAHN O=C(Nc1ccc(F)cc1)[C@H](NC1CCN(C(=O)c2ccco2)CC1)c1ccccc1 ZINC000032899561 527204286 /nfs/dbraw/zinc/20/42/86/527204286.db2.gz ORIUBRLUCLQZKM-JOCHJYFZSA-N 0 3 421.472 3.993 50 0 HHAAHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN(C)CCOc1ccc(F)cc1 ZINC000032870908 527544089 /nfs/dbraw/zinc/54/40/89/527544089.db2.gz AYSPJWPMIRPUEC-UHFFFAOYSA-N 0 3 410.493 3.968 50 0 HHAAHN CCCNCc1cc(OC)c(OCC(=O)Nc2ccccc2)cc1Br ZINC000002860909 557410076 /nfs/dbraw/zinc/41/00/76/557410076.db2.gz QTPDFQROBHOONI-UHFFFAOYSA-N 0 3 407.308 3.975 50 0 HHAAHN Cc1cc([C@@H]2C[C@H](C(=O)N3CCOCC3)CN(Cc3ccc(F)cc3)C2)ccc1F ZINC000034716776 557430156 /nfs/dbraw/zinc/43/01/56/557430156.db2.gz GZYJQPIIMAMLAA-RTWAWAEBSA-N 0 3 414.496 3.738 50 0 HHAAHN CCN1CCC[C@H]1CNC(=O)c1nc(CCc2ccccc2)n(-c2ccccc2C)n1 ZINC000034911944 557478405 /nfs/dbraw/zinc/47/84/05/557478405.db2.gz VFTUZIQWQZCSJC-NRFANRHFSA-N 0 3 417.557 3.575 50 0 HHAAHN O[C@H](CSc1ccccc1)CN1CCC(Nc2nccc(C(F)(F)F)n2)CC1 ZINC000004299521 557537355 /nfs/dbraw/zinc/53/73/55/557537355.db2.gz NALRVUKYUOFNRE-HNNXBMFYSA-N 0 3 412.481 3.525 50 0 HHAAHN O=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000004700577 557583527 /nfs/dbraw/zinc/58/35/27/557583527.db2.gz FJYBFCLAMAVIOU-UHFFFAOYSA-N 0 3 411.977 3.896 50 0 HHAAHN CCc1ccc(CN2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000004700192 557583611 /nfs/dbraw/zinc/58/36/11/557583611.db2.gz WXIQUKNWMXKMIF-UHFFFAOYSA-N 0 3 405.586 3.805 50 0 HHAAHN CCOc1ccc(CN2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000004725548 557587292 /nfs/dbraw/zinc/58/72/92/557587292.db2.gz XPMSPEVMAUWDQR-UHFFFAOYSA-N 0 3 421.585 3.642 50 0 HHAAHN COc1ccc([C@@H](CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)N(C)C)cc1 ZINC000008744969 557804672 /nfs/dbraw/zinc/80/46/72/557804672.db2.gz PTPZPYFKHJGTGQ-JOCHJYFZSA-N 0 3 421.545 3.931 50 0 HHAAHN Cc1ccccc1CN1CCN(Cc2ccc(-n3cccn3)cc2C)C[C@@H]1CCO ZINC000019731373 558259591 /nfs/dbraw/zinc/25/95/91/558259591.db2.gz DYMOQTRCRHWMGE-VWLOTQADSA-N 0 3 404.558 3.558 50 0 HHAAHN O=C(NCc1ccco1)[C@@H]1CC12CCN(Cc1ccc(Oc3ncccn3)cc1)CC2 ZINC000011838817 558285634 /nfs/dbraw/zinc/28/56/34/558285634.db2.gz NVFYWZGWRRPZTD-NRFANRHFSA-N 0 3 418.497 3.780 50 0 HHAAHN COc1ccc(C(=O)N(C)C[C@H]2CCCN(CCc3ccccc3OC)C2)cc1F ZINC000011879612 558294117 /nfs/dbraw/zinc/29/41/17/558294117.db2.gz MDQHNCAPICFHBF-GOSISDBHSA-N 0 3 414.521 3.870 50 0 HHAAHN CN(C)Cc1cc(-c2cnccn2)ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000011977340 558305801 /nfs/dbraw/zinc/30/58/01/558305801.db2.gz YONGFNHAEYRSTG-UHFFFAOYSA-N 0 3 420.557 3.669 50 0 HHAAHN CN(Cc1ccccc1)C[C@H](O)COc1ccc(CNCc2ccccc2F)cc1 ZINC000012058651 558317039 /nfs/dbraw/zinc/31/70/39/558317039.db2.gz UISZCTSTBQCREM-QHCPKHFHSA-N 0 3 408.517 3.987 50 0 HHAAHN CN1CCC(N2CCN(Cc3ccc(-c4ccccc4Cl)o3)C[C@@H]2CCO)CC1 ZINC000020472529 558374177 /nfs/dbraw/zinc/37/41/77/558374177.db2.gz UZGQSDRJOWTCFF-IBGZPJMESA-N 0 3 417.981 3.563 50 0 HHAAHN Cc1cc(C)c(C(=O)N(CCN(C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)o1 ZINC000012314479 558378028 /nfs/dbraw/zinc/37/80/28/558378028.db2.gz KITZLUXXKRQRIF-FQEVSTJZSA-N 0 3 415.553 3.952 50 0 HHAAHN CCOc1ccc(CN2CCN(Cc3cn(C)c4ccccc34)C[C@@H]2CCO)cc1 ZINC000020869660 558418371 /nfs/dbraw/zinc/41/83/71/558418371.db2.gz IDHJARVLFPJUGW-QFIPXVFZSA-N 0 3 407.558 3.646 50 0 HHAAHN Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CNCCN1CCOCC1 ZINC000020919434 558423364 /nfs/dbraw/zinc/42/33/64/558423364.db2.gz OBUNXBCQMZCJTE-UHFFFAOYSA-N 0 3 412.484 3.548 50 0 HHAAHN CN(C(=O)CC[C@H]1CCCN(Cc2ccc([O-])c(Cl)c2)C1)C1CC[NH+](C)CC1 ZINC000012574395 558430470 /nfs/dbraw/zinc/43/04/70/558430470.db2.gz YVPCCGKLTFHSNH-QGZVFWFLSA-N 0 3 407.986 3.590 50 0 HHAAHN COC(=O)c1ccccc1C(=O)N(C)C[C@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000012578045 558431547 /nfs/dbraw/zinc/43/15/47/558431547.db2.gz GAZUVUQKVUUQRW-LJQANCHMSA-N 0 3 412.505 3.639 50 0 HHAAHN COc1ccc(CC(=O)N(C)[C@@H]2CCCN(CCCc3ccccc3)C2)cc1OC ZINC000012702166 558448066 /nfs/dbraw/zinc/44/80/66/558448066.db2.gz JHUQQNTWLZEQLJ-JOCHJYFZSA-N 0 3 410.558 3.802 50 0 HHAAHN COC(=O)c1ccccc1C(=O)N(C)CC1CCN(CCc2ccccc2OC)CC1 ZINC000012714111 558454361 /nfs/dbraw/zinc/45/43/61/558454361.db2.gz IEZXIOCWEOEYSA-UHFFFAOYSA-N 0 3 424.541 3.509 50 0 HHAAHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000022184490 558465412 /nfs/dbraw/zinc/46/54/12/558465412.db2.gz UGIGIGYLSFLGDV-BTYIYWSLSA-N 0 3 421.522 3.868 50 0 HHAAHN CCN(CC)[C@@H](CNC(=O)[C@H](NC(=O)c1ccc(F)cc1)C(C)C)c1ccccc1 ZINC000012794433 558467686 /nfs/dbraw/zinc/46/76/86/558467686.db2.gz AMJQWHOAKOQPID-FCHUYYIVSA-N 0 3 413.537 3.779 50 0 HHAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccs4)[C@@H]3C2=O)c1 ZINC000229968154 558481812 /nfs/dbraw/zinc/48/18/12/558481812.db2.gz CXQYYROFFWGQCQ-XUVXKRRUSA-N 0 3 406.463 3.808 50 0 aggregator HHAAHN CCc1ccc([C@@H](CNC(=O)C2CCN(C(=O)c3cccs3)CC2)N(C)C)cc1 ZINC000012971992 558489195 /nfs/dbraw/zinc/48/91/95/558489195.db2.gz KDMNCJGBOXYXRM-HXUWFJFHSA-N 0 3 413.587 3.582 50 0 HHAAHN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000012975455 558490997 /nfs/dbraw/zinc/49/09/97/558490997.db2.gz YKCILLURJAUZGZ-RTWAWAEBSA-N 0 3 409.555 3.965 50 0 HHAAHN COc1ccccc1N1CCC(N2CCN(Cc3ccccc3C)[C@@H](CCO)C2)CC1 ZINC000022918741 558522264 /nfs/dbraw/zinc/52/22/64/558522264.db2.gz UWPBSMRLJVODTO-DEOSSOPVSA-N 0 3 423.601 3.541 50 0 HHAAHN Cn1nnnc1SCCNCc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000013494777 558534851 /nfs/dbraw/zinc/53/48/51/558534851.db2.gz NYPYSZABGFCOPZ-UHFFFAOYSA-N 0 3 423.517 3.963 50 0 HHAAHN CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cnc(-c4ccccc4)s3)C2)CC1 ZINC000023359400 558551460 /nfs/dbraw/zinc/55/14/60/558551460.db2.gz OSZYZHZVTDETFN-LJQANCHMSA-N 0 3 414.575 3.549 50 0 HHAAHN Cc1ccccc1CN1CCN(C2CCN(c3ccccc3C)CC2)C[C@@H]1CCO ZINC000023361150 558552259 /nfs/dbraw/zinc/55/22/59/558552259.db2.gz XKBMIVOEZHVQQV-VWLOTQADSA-N 0 3 407.602 3.841 50 0 HHAAHN O=C(CC1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1cccc(F)c1 ZINC000023382468 558555969 /nfs/dbraw/zinc/55/59/69/558555969.db2.gz YNSAZNLKMJNNAC-FQEVSTJZSA-N 0 3 415.428 3.687 50 0 HHAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNCCCN1CCOCC1 ZINC000023882418 558580120 /nfs/dbraw/zinc/58/01/20/558580120.db2.gz GAVAGGFMGPTYAS-UHFFFAOYSA-N 0 3 424.520 3.924 50 0 HHAAHN Cc1nc(-c2ccc(CCN[C@H](C(=O)N3CCOCC3)c3ccccc3)cc2)cs1 ZINC000014160812 558626117 /nfs/dbraw/zinc/62/61/17/558626117.db2.gz OOPDRQRJVNDYFF-QHCPKHFHSA-N 0 3 421.566 3.851 50 0 HHAAHN C[C@H](N[C@@H](C)c1ccc2c(c1)CCCC2)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000014196729 558633580 /nfs/dbraw/zinc/63/35/80/558633580.db2.gz UQBAAAKAGLBXOU-KBPBESRZSA-N 0 3 411.571 3.892 50 0 HHAAHN COc1ccc(NC(C)=O)cc1NC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000014196791 558633610 /nfs/dbraw/zinc/63/36/10/558633610.db2.gz YTHRFTCYGNOIGD-OAQYLSRUSA-N 0 3 401.894 3.986 50 0 HHAAHN CCCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCc1nc(-c3ccccc3)cs1)C2 ZINC000014732582 558665943 /nfs/dbraw/zinc/66/59/43/558665943.db2.gz LLCYIJKHFKEVCQ-QGZVFWFLSA-N 0 3 423.586 3.766 50 0 HHAAHN CN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1cc3ccccc3s1)CC2 ZINC000014742222 558667377 /nfs/dbraw/zinc/66/73/77/558667377.db2.gz CDAQGSVOBXFXCV-UHFFFAOYSA-N 0 3 420.538 3.725 50 0 HHAAHN CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccsc1)CC2 ZINC000014754461 558671465 /nfs/dbraw/zinc/67/14/65/558671465.db2.gz DVNSKGWXYVQFBJ-UHFFFAOYSA-N 0 3 409.555 3.534 50 0 HHAAHN COc1ccc([C@@H](CNC(=O)COc2ccc(F)cc2)N2CCCCCC2)cc1 ZINC000027583047 558676147 /nfs/dbraw/zinc/67/61/47/558676147.db2.gz VLZOUFOSVLXTAO-JOCHJYFZSA-N 0 3 400.494 3.947 50 0 HHAAHN COc1ccc(CCN2C(=O)N(C(C)C)C(=O)C23CCN(CC=C(C)C)CC3)cc1 ZINC000014530447 558684891 /nfs/dbraw/zinc/68/48/91/558684891.db2.gz SXFYKFVDLFXCGF-UHFFFAOYSA-N 0 3 413.562 3.711 50 0 HHAAHN COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCC[C@@H](C(N)=O)C2)cc1F ZINC000014964127 558685235 /nfs/dbraw/zinc/68/52/35/558685235.db2.gz ZOVDFIXHXVANIA-GOSISDBHSA-N 0 3 422.504 3.693 50 0 HHAAHN Cc1ccc(N2CCN(C[C@@H](O)Cn3c4ccccc4nc3C(F)(F)F)CC2)cc1 ZINC000028297200 558699226 /nfs/dbraw/zinc/69/92/26/558699226.db2.gz SEMXTDOYGUQDTK-GOSISDBHSA-N 0 3 418.463 3.547 50 0 HHAAHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000070039892 558704490 /nfs/dbraw/zinc/70/44/90/558704490.db2.gz RDWLWYOLVMITEH-FRRDWIJNSA-N 0 3 407.399 3.537 50 0 HHAAHN Fc1ccc([C@H](CNCc2ccccc2OCc2cccnc2)N2CCOCC2)cc1 ZINC000030544861 558732434 /nfs/dbraw/zinc/73/24/34/558732434.db2.gz FDNJRKVRWQDZNP-DEOSSOPVSA-N 0 3 421.516 3.963 50 0 HHAAHN Cc1cc(C)c(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c(C)c1 ZINC000004578117 558754533 /nfs/dbraw/zinc/75/45/33/558754533.db2.gz LNAVSMZOFXHYTO-UHFFFAOYSA-N 0 3 402.604 3.887 50 0 HHAAHN c1cc2c(cc1-n1nnnc1C1(N3CCCCC3)C3CC4CC(C3)CC1C4)OCCO2 ZINC000035170779 558788762 /nfs/dbraw/zinc/78/87/62/558788762.db2.gz UJVJBOMBUOYNAH-UHFFFAOYSA-N 0 3 421.545 3.571 50 0 HHAAHN O=C(NCCN1CCCCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1)O2 ZINC000032984076 558805028 /nfs/dbraw/zinc/80/50/28/558805028.db2.gz PZLITLBIBZFHRO-CJLVFECKSA-N 0 3 405.498 3.664 50 0 HHAAHN COc1ccc(NC(=S)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c(OC)c1 ZINC000017090403 558819002 /nfs/dbraw/zinc/81/90/02/558819002.db2.gz LQBIEYKCNISWHQ-UHFFFAOYSA-N 0 3 415.603 3.987 50 0 HHAAHN CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCO)no2)cc1C#N ZINC000116109867 558844987 /nfs/dbraw/zinc/84/49/87/558844987.db2.gz XRVDGNKRPOAQTN-FQEVSTJZSA-N 0 3 404.470 3.632 50 0 investigational HHAAHN Cc1cc(C(=O)NCCCN2CCN(C)CC2)c2cccc(-c3ccc(F)cc3)c2n1 ZINC000033036819 558860660 /nfs/dbraw/zinc/86/06/60/558860660.db2.gz RZFJLBHHSHDXSM-UHFFFAOYSA-N 0 3 420.532 3.717 50 0 HHAAHN COc1ccc(CN2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cc1OC ZINC000019300340 558866120 /nfs/dbraw/zinc/86/61/20/558866120.db2.gz BVCODQJLYMAJBK-HXUWFJFHSA-N 0 3 413.537 3.630 50 0 HHAAHN Cc1ccc([C@H](CNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCCC2)cc1 ZINC000058099056 558898689 /nfs/dbraw/zinc/89/86/89/558898689.db2.gz RADXSJHZUKSNQP-GKWUYRECSA-N 0 3 423.601 3.581 50 0 HHAAHN O=C(CCc1nc(-c2ccc(F)cc2)no1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000058137996 558901245 /nfs/dbraw/zinc/90/12/45/558901245.db2.gz WEWNGWVUORVGAA-OAQYLSRUSA-N 0 3 422.504 3.979 50 0 HHAAHN C[C@@H](Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C(=O)NCc1ccco1 ZINC000058176728 558909695 /nfs/dbraw/zinc/90/96/95/558909695.db2.gz JMFBEJWGWCODTR-HXUWFJFHSA-N 0 3 418.541 3.719 50 0 HHAAHN CN(C)Cc1ccc(C(=O)Nc2cc(Br)ccc2N2CCOCC2)cc1 ZINC000058191942 558910683 /nfs/dbraw/zinc/91/06/83/558910683.db2.gz AUSJDCYTYOINBW-UHFFFAOYSA-N 0 3 418.335 3.600 50 0 HHAAHN NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)C1 ZINC000058315618 558919201 /nfs/dbraw/zinc/91/92/01/558919201.db2.gz SQKGSRLMKITFFQ-AWEZNQCLSA-N 0 3 406.313 3.943 50 0 HHAAHN O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)C1CCN(Cc2ccccc2)CC1 ZINC000058378525 558923000 /nfs/dbraw/zinc/92/30/00/558923000.db2.gz GEEQTXRPTAAMDU-LJQANCHMSA-N 0 3 413.512 3.820 50 0 HHAAHN Cc1cccc(CN2CCC(C(=O)N(C)Cc3nc(-c4ccccc4)no3)CC2)c1 ZINC000067613817 558989360 /nfs/dbraw/zinc/98/93/60/558989360.db2.gz BJXCVOOZKMMRJR-UHFFFAOYSA-N 0 3 404.514 3.916 50 0 HHAAHN COc1ccc(CN2CCN(Cc3ccc4ncccc4c3)C[C@@H]2CCO)c(C)c1C ZINC000076915992 558998059 /nfs/dbraw/zinc/99/80/59/558998059.db2.gz JWIVIFIBHNJUJD-DEOSSOPVSA-N 0 3 419.569 3.929 50 0 HHAAHN O=C(NC1CCN(Cc2ccccc2)CC1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000011607432 559113305 /nfs/dbraw/zinc/11/33/05/559113305.db2.gz XFHQJCGKJWEIHF-UHFFFAOYSA-N 0 3 405.542 3.956 50 0 HHAAHN NC(=O)[C@H](CNCC1=Cc2cc(Cl)cc(Cl)c2OC1)Cc1ccc(F)cc1 ZINC000095452874 559147112 /nfs/dbraw/zinc/14/71/12/559147112.db2.gz AHKBWYOFYGBRAV-HNNXBMFYSA-N 0 3 409.288 3.842 50 0 HHAAHN CCCCN(C)CCNC(=O)c1cc2c(-c3cccc(OC)c3)nn(C)c2s1 ZINC000005007293 559227593 /nfs/dbraw/zinc/22/75/93/559227593.db2.gz MBSXRUSJFAEHRG-UHFFFAOYSA-N 0 3 400.548 3.772 50 0 HHAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3cccnc3)=NN12 ZINC000005033788 559231796 /nfs/dbraw/zinc/23/17/96/559231796.db2.gz QOYKQVGGUNBOMR-SFHVURJKSA-N 0 3 413.319 3.810 50 0 HHAAHN CN(Cc1ccc2c(c1)OCO2)C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000062580218 560631367 /nfs/dbraw/zinc/63/13/67/560631367.db2.gz LXKCQKVOSDGJJO-OAQYLSRUSA-N 0 3 420.431 3.828 50 0 HHAAHN O=C1[C@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000018068174 560774608 /nfs/dbraw/zinc/77/46/08/560774608.db2.gz PUFCLNNYRLZNST-HSALFYBXSA-N 0 3 405.841 3.786 50 0 HHAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000018068174 560774610 /nfs/dbraw/zinc/77/46/10/560774610.db2.gz PUFCLNNYRLZNST-HSALFYBXSA-N 0 3 405.841 3.786 50 0 HHAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000102005356 560807262 /nfs/dbraw/zinc/80/72/62/560807262.db2.gz PUFCLNNYRLZNST-SLFFLAALSA-N 0 3 405.841 3.786 50 0 HHAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 ZINC000102713094 560822942 /nfs/dbraw/zinc/82/29/42/560822942.db2.gz RAXYROGTNMRWJD-BHIFYINESA-N 0 3 400.434 3.752 50 0 HHAAHN O=C(C1CCN(Cc2cc3ccccc3n2Cc2ccccc2)CC1)N1CCOCC1 ZINC000046055426 568425700 /nfs/dbraw/zinc/42/57/00/568425700.db2.gz BRPFWNMUWBYRSO-UHFFFAOYSA-N 0 3 417.553 3.760 50 0 HHAAHN COc1cccc(OC)c1C(=O)C1CC(=O)Nc2c1c(C)nn2-c1cccc(C)c1 ZINC000046057528 568426206 /nfs/dbraw/zinc/42/62/06/568426206.db2.gz RXPZYCBACULCPI-INIZCTEOSA-N 0 3 405.454 3.815 50 0 HHAAHN C[C@@H](CCN1CCN(c2ccccc2)CC1)NC(=O)c1cc(Cl)c(Cl)n1C ZINC000048355534 568441533 /nfs/dbraw/zinc/44/15/33/568441533.db2.gz UHUFKZMCWXQSPP-HNNXBMFYSA-N 0 3 409.361 3.663 50 0 HHAAHN CCOC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000020762950 568642641 /nfs/dbraw/zinc/64/26/41/568642641.db2.gz AHIUEMBECMBWDH-XLIONFOSSA-N 0 3 411.550 3.685 50 0 biogenic HHAAHN CC(C)C(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000020762596 568642764 /nfs/dbraw/zinc/64/27/64/568642764.db2.gz RTSCTICDMHXMOB-NQIIRXRSSA-N 0 3 409.578 3.711 50 0 biogenic HHAAHN COC(=O)c1ccc(NC(=O)NCc2c3c(sc2-n2cccc2)CN(C)CC3)cc1 ZINC000020927323 568651552 /nfs/dbraw/zinc/65/15/52/568651552.db2.gz KXTRJKDRMBFKGO-UHFFFAOYSA-N 0 3 424.526 3.635 50 0 HHAAHN O=C1CCCc2cc(S(=O)(=O)[N-]c3ccc(C[NH+]4CCCCC4)cc3)ccc2N1 ZINC000021881059 568757153 /nfs/dbraw/zinc/75/71/53/568757153.db2.gz LELDAOUYBCUPIQ-UHFFFAOYSA-N 0 3 413.543 3.748 50 0 HHAAHN C[C@H]1CN(Cc2ccccc2)CC[C@]1(Nc1ccc(Br)cc1)C(N)=O ZINC000096562186 568760239 /nfs/dbraw/zinc/76/02/39/568760239.db2.gz LSKQHNKOLJTEPH-MGPUTAFESA-N 0 3 402.336 3.627 50 0 HHAAHN CCc1nc2ccccc2n1CC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000012548144 568851325 /nfs/dbraw/zinc/85/13/25/568851325.db2.gz XWZSIHZZWZEYLB-JOCHJYFZSA-N 0 3 406.530 3.561 50 0 HHAAHN C[C@H]1CCCCN1C[C@H](O)COc1ccc(Br)cc1Br ZINC000035052994 568872294 /nfs/dbraw/zinc/87/22/94/568872294.db2.gz MHLQXVOWVVZPPS-AAEUAGOBSA-N 0 3 407.146 3.826 50 0 HHAAHN O=S(=O)(NCc1ccccc1CN1CCCC1)c1ccc(Br)cc1 ZINC000031075255 568912110 /nfs/dbraw/zinc/91/21/10/568912110.db2.gz VTUJJOZVGUEBCS-UHFFFAOYSA-N 0 3 409.349 3.523 50 0 HHAAHN C[C@H]1CCc2[nH]c3c(cccc3C(=O)Nc3ccc(C(=O)NCCN(C)C)cc3)c2C1 ZINC000031457786 568926513 /nfs/dbraw/zinc/92/65/13/568926513.db2.gz HYBZFLZZLLRTMB-INIZCTEOSA-N 0 3 418.541 3.836 50 0 HHAAHN Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)NCCN1CCCCCC1 ZINC000015731267 568981936 /nfs/dbraw/zinc/98/19/36/568981936.db2.gz QKPQEZIWUJWDIS-UHFFFAOYSA-N 0 3 405.546 3.886 50 0 HHAAHN CCCN1CCN(c2ncnc3sc(C(=O)N4CCCCCC4)c(C)c32)CC1 ZINC000015776121 568999721 /nfs/dbraw/zinc/99/97/21/568999721.db2.gz IHPQLOSJORBIQH-UHFFFAOYSA-N 0 3 401.580 3.548 50 0 HHAAHN COc1ccc2c(c1)C[C@@H](C(=O)NCC1CCN(Cc3ccc(C)cc3)CC1)CO2 ZINC000015786262 569007277 /nfs/dbraw/zinc/00/72/77/569007277.db2.gz CGBBNTVESNXEFA-JOCHJYFZSA-N 0 3 408.542 3.583 50 0 HHAAHN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1ccc(CN(C)C)cc1 ZINC000012881687 569018912 /nfs/dbraw/zinc/01/89/12/569018912.db2.gz PDABGUYUMGAUGG-UHFFFAOYSA-N 0 3 415.541 3.810 50 0 HHAAHN CN(C)[C@H](CNC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)Cc1ccccc1 ZINC000012910492 569021506 /nfs/dbraw/zinc/02/15/06/569021506.db2.gz HDZHJBPARLMSJE-NRFANRHFSA-N 0 3 411.546 3.865 50 0 HHAAHN CN(CCCNC(=O)CC1CCN(C(=O)Nc2ccccc2)CC1)Cc1ccccc1 ZINC000035528934 569044120 /nfs/dbraw/zinc/04/41/20/569044120.db2.gz ZNABAHLASUKEKO-UHFFFAOYSA-N 0 3 422.573 3.959 50 0 HHAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)c1 ZINC000135896171 569053658 /nfs/dbraw/zinc/05/36/58/569053658.db2.gz QFVMNMQOBFOZIG-FDFHNCONSA-N 0 3 400.434 3.752 50 0 HHAAHN CC[C@@H](C)N(CCCNC(=O)Nc1cn(C)c(=O)c2ccccc12)Cc1ccco1 ZINC000006724928 569100761 /nfs/dbraw/zinc/10/07/61/569100761.db2.gz OHHRDNBXMRTJGU-QGZVFWFLSA-N 0 3 410.518 3.944 50 0 HHAAHN CN(C)[C@H](CNC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000006851073 569154562 /nfs/dbraw/zinc/15/45/62/569154562.db2.gz XGEGQKACCTVBIG-HSZRJFAPSA-N 0 3 417.509 3.628 50 0 HHAAHN CCN(CC)CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1cccc(OC)c1 ZINC000007263653 569230808 /nfs/dbraw/zinc/23/08/08/569230808.db2.gz MHELJOCDBZXDRF-QFIPXVFZSA-N 0 3 420.509 3.997 50 0 HHAAHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000170597467 569242138 /nfs/dbraw/zinc/24/21/38/569242138.db2.gz FLBPPPZJVZBPKC-GOTSBHOMSA-N 0 3 423.557 3.691 50 0 HHAAHN COc1ccc([C@H](NCCn2ccnc2)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000170606803 569244764 /nfs/dbraw/zinc/24/47/64/569244764.db2.gz LCQZLOFGCQDHQS-PMACEKPBSA-N 0 3 400.523 3.622 50 0 HHAAHN COC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NC1CCN(C)CC1 ZINC000013775643 569257586 /nfs/dbraw/zinc/25/75/86/569257586.db2.gz NUGQJHXMGLMZGQ-UHFFFAOYSA-N 0 3 403.573 3.506 50 0 HHAAHN COc1ccc(CNCCC(=O)N(C)Cc2ccccc2Br)cc1F ZINC000237337364 569281955 /nfs/dbraw/zinc/28/19/55/569281955.db2.gz YZEKDQBCPQDVAZ-UHFFFAOYSA-N 0 3 409.299 3.735 50 0 HHAAHN O=C(CN1CCC[C@H]2CCCC[C@@H]21)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000007587830 569283543 /nfs/dbraw/zinc/28/35/43/569283543.db2.gz RUOAGGNHMSYGST-PBHICJAKSA-N 0 3 407.440 3.879 50 0 HHAAHN FC(F)(F)c1cccc(N2CCN(C3CCN(Cc4cccs4)CC3)CC2)n1 ZINC000252501909 569291225 /nfs/dbraw/zinc/29/12/25/569291225.db2.gz ULHLRDJNOBCHHS-UHFFFAOYSA-N 0 3 410.509 3.949 50 0 HHAAHN CC(C)N1CCN([C@H]2CCOC3(CCN(C(=O)CC4CCCCC4)CC3)C2)CC1 ZINC000581819681 569320821 /nfs/dbraw/zinc/32/08/21/569320821.db2.gz BHNJLBKCAWMABK-QFIPXVFZSA-N 0 3 405.627 3.523 50 0 HHAAHN CC(C)NC(=O)NCc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000007941330 569401930 /nfs/dbraw/zinc/40/19/30/569401930.db2.gz UKENQRKUIVULJQ-UHFFFAOYSA-N 0 3 422.573 3.810 50 0 HHAAHN O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000012811357 569403787 /nfs/dbraw/zinc/40/37/87/569403787.db2.gz XFXVSRIMEZAMTE-MEWQITQSSA-N 0 3 403.526 3.780 50 0 HHAAHN Cc1ccnc(NC(=O)C2CCN(CCC(=O)Nc3ccc4c(c3)CCC4)CC2)c1 ZINC000078748130 569420232 /nfs/dbraw/zinc/42/02/32/569420232.db2.gz AOBWFSZPPYZYLB-UHFFFAOYSA-N 0 3 406.530 3.558 50 0 HHAAHN O=C(Nc1ccc2c(c1)OCO2)C1CCN(CCCOc2ccc(F)cc2)CC1 ZINC000008918740 571154648 /nfs/dbraw/zinc/15/46/48/571154648.db2.gz NBDLIGKZXIHQKR-UHFFFAOYSA-N 0 3 400.450 3.674 50 0 HHAAHN CC(C(=O)NC1CCC(C)CC1)S(=O)(=O)Cc1csc(-c2cccs2)n1 ZINC000040106205 571166900 /nfs/dbraw/zinc/16/69/00/571166900.db2.gz GLDFBMUFJOLQAV-ROKHWSDSSA-N 0 3 412.602 3.870 50 0 HHAAHN CC(C)(C)CCN1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000040157068 571203922 /nfs/dbraw/zinc/20/39/22/571203922.db2.gz QUPZQRHSHNRGDC-IBGZPJMESA-N 0 3 419.997 3.773 50 0 HHAAHN Cc1cc(N2CCC(C[N-]S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc[nH+]1 ZINC000245053654 571212680 /nfs/dbraw/zinc/21/26/80/571212680.db2.gz PFBWXACHAPHNSU-UHFFFAOYSA-N 0 3 414.358 3.892 50 0 HHAAHN CCOc1ccc(-c2cn3c4ccc(C(=O)NCCN(C)C)cc4sc3n2)cc1 ZINC000009406615 571255508 /nfs/dbraw/zinc/25/55/08/571255508.db2.gz LQCRPBHZVUZJGR-UHFFFAOYSA-N 0 3 408.527 3.906 50 0 HHAAHN COc1ccc(-n2cc(C(=O)NCCN3CCCC[C@@H]3C)c3ccccc3c2=O)cc1 ZINC000009433773 571258633 /nfs/dbraw/zinc/25/86/33/571258633.db2.gz MYHKXXARHDPVAU-SFHVURJKSA-N 0 3 419.525 3.604 50 0 HHAAHN CCN(CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@H]1c1ccc(F)cc1 ZINC000010233204 571297705 /nfs/dbraw/zinc/29/77/05/571297705.db2.gz QIAXQKFYBSWGRQ-OAQYLSRUSA-N 0 3 424.472 3.828 50 0 HHAAHN CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)N(C)C)cc1 ZINC000010333520 571300460 /nfs/dbraw/zinc/30/04/60/571300460.db2.gz BGAVHLHWPHWZSG-QFIPXVFZSA-N 0 3 405.498 3.596 50 0 HHAAHN COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1cccc2ccccc21)N(C)C ZINC000010333505 571300463 /nfs/dbraw/zinc/30/04/63/571300463.db2.gz UAGKORUJYGJDOP-OAQYLSRUSA-N 0 3 405.498 3.514 50 0 HHAAHN O=C(NC[C@@H](c1cccc2ccccc21)N1CCCC1)C(=O)Nc1cccc(F)c1 ZINC000010334054 571300615 /nfs/dbraw/zinc/30/06/15/571300615.db2.gz KIAOCLLHAVETCZ-QFIPXVFZSA-N 0 3 405.473 3.871 50 0 HHAAHN CN(C)[C@@H](CNC(=O)c1cc(-c2ccc(F)cc2)nn1C)c1cn(C)c2ccccc12 ZINC000077200996 571313299 /nfs/dbraw/zinc/31/32/99/571313299.db2.gz MALZCGNYDYQILA-QHCPKHFHSA-N 0 3 419.504 3.751 50 0 HHAAHN O=C(Nc1cccc(N2CCNC2=O)c1)[C@@H]1CC12CCN(Cc1ccsc1)CC2 ZINC000011841269 962200554 /nfs/dbraw/zinc/20/05/54/962200554.db2.gz FLJUGRMWZQIZJI-IBGZPJMESA-N 0 3 410.543 3.519 50 0 HHAAHN COc1cc(CN2CCC3(C[C@H]3C(=O)NCCc3ccccc3)CC2)cc(OC)c1 ZINC000012004149 962221460 /nfs/dbraw/zinc/22/14/60/962221460.db2.gz VANOVDHETJXVEQ-QHCPKHFHSA-N 0 3 408.542 3.665 50 0 HHAAHN C[C@H](c1nccs1)N1C(=O)c2cccc(N3CCN(C4CCCC4)CC3)c2C1=O ZINC000012152146 962246100 /nfs/dbraw/zinc/24/61/00/962246100.db2.gz FBVWBPWHHWZMMQ-OAHLLOKOSA-N 0 3 410.543 3.565 50 0 HHAAHN CCc1ccc(CN2CCC([C@]3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)o1 ZINC000012158359 962247302 /nfs/dbraw/zinc/24/73/02/962247302.db2.gz CNYIXIZYMBMPLT-VWLOTQADSA-N 0 3 421.541 3.532 50 0 HHAAHN O=C(NC[C@@H]1CCCN(Cc2nc3ccccc3s2)C1)c1n[nH]c2ccccc21 ZINC000012317232 962270210 /nfs/dbraw/zinc/27/02/10/962270210.db2.gz KXDGRJDPJUCYBU-HNNXBMFYSA-N 0 3 405.527 3.815 50 0 HHAAHN COc1ccc(/C=C/CN2CCOc3ccc(C4(O)CCN(C)CC4)cc3C2)cc1 ZINC000015002191 962623339 /nfs/dbraw/zinc/62/33/39/962623339.db2.gz BFXMHAZNAQRPSP-ONEGZZNKSA-N 0 3 408.542 3.516 50 0 HHAAHN Cn1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)c(-c2ccccc2)n1 ZINC000022852998 963729291 /nfs/dbraw/zinc/72/92/91/963729291.db2.gz UQECSUXYMZJBMK-RUZDIDTESA-N 0 3 418.585 3.589 50 0 HHAAHN CCN(CCNC(=O)[C@@]12CCC=C1N(C1CCCC1)C(=O)CC2)Cc1ccccc1 ZINC000169788444 970483186 /nfs/dbraw/zinc/48/31/86/970483186.db2.gz AEWQJEBDDJWDGF-RUZDIDTESA-N 0 3 409.574 3.854 50 0 HHAAHN O=S(=O)(NCc1ccccc1CN1CCCCC1)c1c[nH]c2cccc(F)c21 ZINC000474587847 995546860 /nfs/dbraw/zinc/54/68/60/995546860.db2.gz ZVJAWXXNYNFJCX-UHFFFAOYSA-N 0 3 401.507 3.771 50 0 HHAAHN O=C(COc1ccc(Cl)cc1)N1CCC(N2CCN(c3ccccc3)CC2)CC1 ZINC000004109086 132271249 /nfs/dbraw/zinc/27/12/49/132271249.db2.gz URYPJVDDBYAQBQ-UHFFFAOYSA-N 0 3 413.949 3.532 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)CCc3nc(-c4ccsc4)no3)cc2)CC1 ZINC000008193708 132328638 /nfs/dbraw/zinc/32/86/38/132328638.db2.gz PUZFRLFGOQRCTL-UHFFFAOYSA-N 0 3 411.531 3.511 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)C[C@H]3c4ccccc4C=CN3C(C)=O)cc2)CC1 ZINC000012557709 132363849 /nfs/dbraw/zinc/36/38/49/132363849.db2.gz CVIHPOGIGGHCPE-DEOSSOPVSA-N 0 3 418.541 3.731 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)c(C)c2)CC1 ZINC000012608051 132365079 /nfs/dbraw/zinc/36/50/79/132365079.db2.gz ASFFNOZJVWRGNJ-QHCPKHFHSA-N 0 3 423.557 3.947 50 0 HHAAHN CC1(C)[C@@H]2C[C@H]1C(CN1CCC(Oc3cccc(C(=O)N4CCOCC4)c3)CC1)=CC2 ZINC000020601700 520643856 /nfs/dbraw/zinc/64/38/56/520643856.db2.gz QZXCTIBFRFRCNV-URXFXBBRSA-N 0 3 424.585 3.995 50 0 HHAAHN CCC(=O)Nc1nc2ccc(CCC(=O)NCCN(C)Cc3ccccc3)cc2s1 ZINC000032959480 521230872 /nfs/dbraw/zinc/23/08/72/521230872.db2.gz HXZCFKOTRVRRTL-UHFFFAOYSA-N 0 3 424.570 3.826 50 0 HHAAHN CCN1CCN(c2ccc(N[C@H](C)C(=O)NCc3ccc(Cl)cc3)c(C)c2)CC1 ZINC000032772058 521699330 /nfs/dbraw/zinc/69/93/30/521699330.db2.gz JHPJEHDADUFMQO-GOSISDBHSA-N 0 3 414.981 3.907 50 0 HHAAHN CN1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)c2nc3ccccc3nc21 ZINC000032900585 523880874 /nfs/dbraw/zinc/88/08/74/523880874.db2.gz FBHFJDTZTQRZHO-UHFFFAOYSA-N 0 3 401.514 3.712 50 0 HHAAHN Cc1cc(C)n(-c2ccccc2NC(=O)NC[C@H](CN(C)C)[C@H](O)c2ccccc2)n1 ZINC000040104873 524496057 /nfs/dbraw/zinc/49/60/57/524496057.db2.gz XLOLJMYOTNIWER-NFBKMPQASA-N 0 3 421.545 3.522 50 0 HHAAHN CC(C(=O)NC1CCC(C)CC1)S(=O)(=O)Cc1cc(Cl)ccc1OC(F)F ZINC000032929711 526027493 /nfs/dbraw/zinc/02/74/93/526027493.db2.gz DNVBRIHWJPIDFU-MQYJIDSJSA-N 0 3 423.909 3.940 50 0 HHAAHN O=C(CC[NH+]1CCC(C(=O)Nc2ccccc2[O-])CC1)Nc1cccc(Cl)c1 ZINC000032870913 526482204 /nfs/dbraw/zinc/48/22/04/526482204.db2.gz IRYBFFFGOHZTLC-UHFFFAOYSA-N 0 3 401.894 3.725 50 0 HHAAHN COc1cc(CNCCO)cc(Br)c1OCc1ccccc1Cl ZINC000002862432 557410909 /nfs/dbraw/zinc/41/09/09/557410909.db2.gz FTJTUQRVWOVUOA-UHFFFAOYSA-N 0 3 400.700 3.772 50 0 HHAAHN Cc1cc(C)cc(N2CCC(N3CCN(Cc4cccc(C)n4)[C@@H](CCO)C3)CC2)c1 ZINC000019743121 558263523 /nfs/dbraw/zinc/26/35/23/558263523.db2.gz RBMFTKGRPXPNFH-VWLOTQADSA-N 0 3 422.617 3.544 50 0 HHAAHN CCc1ccc(NC(=O)CC2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)cc1 ZINC000019817507 558287838 /nfs/dbraw/zinc/28/78/38/558287838.db2.gz UEJOEFNBEWUOIH-WIYYLYMNSA-N 0 3 418.497 3.694 50 0 HHAAHN c1cc(CN2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)n(-c2cccnc2)c1 ZINC000019850332 558295404 /nfs/dbraw/zinc/29/54/04/558295404.db2.gz MEVNRZDQSGVIQU-DEOSSOPVSA-N 0 3 401.558 3.659 50 0 HHAAHN CCN1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000019881356 558301050 /nfs/dbraw/zinc/30/10/50/558301050.db2.gz FTUCIZNIMGFHOE-LKZQPVPRSA-N 0 3 403.526 3.905 50 0 HHAAHN CSc1ccccc1C(=O)NC[C@H]1CCC2(CCN(Cc3ccccn3)CC2)O1 ZINC000011967539 558304519 /nfs/dbraw/zinc/30/45/19/558304519.db2.gz JWSBWKAMJHMGIE-LJQANCHMSA-N 0 3 411.571 3.747 50 0 HHAAHN C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc3ccccc3c1)CC2 ZINC000011972320 558304988 /nfs/dbraw/zinc/30/49/88/558304988.db2.gz FSRFRQJDNLZVKY-KRWDZBQOSA-N 0 3 415.497 3.574 50 0 HHAAHN Cc1ccc(CN2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3ccn(C)n3)CC2)o1 ZINC000012054788 558315448 /nfs/dbraw/zinc/31/54/48/558315448.db2.gz PRDWOIUOIQIZSD-DEOSSOPVSA-N 0 3 420.557 3.917 50 0 HHAAHN Cc1c(C(=O)N2CC[C@H](N(C)C)C2)sc2ncnc(NCCCc3ccccc3)c12 ZINC000012163129 558342080 /nfs/dbraw/zinc/34/20/80/558342080.db2.gz MMCBKGIYEGWPLE-SFHVURJKSA-N 0 3 423.586 3.821 50 0 HHAAHN CCC(CC)CN1CCc2nnc([C@H](CC(C)C)NC(=O)c3ccco3)n2CC1 ZINC000012165490 558342605 /nfs/dbraw/zinc/34/26/05/558342605.db2.gz QTUIYUGOEDPHQE-SFHVURJKSA-N 0 3 401.555 3.683 50 0 HHAAHN CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1ccc2nccnc2c1 ZINC000012192659 558348140 /nfs/dbraw/zinc/34/81/40/558348140.db2.gz HSVDMBYPYUTLGV-SFHVURJKSA-N 0 3 406.505 3.796 50 0 HHAAHN CCOc1cccc(CN2CCC[C@H](CNC(=O)c3cccc(OC)c3OC)C2)c1 ZINC000012302444 558372074 /nfs/dbraw/zinc/37/20/74/558372074.db2.gz WXJZEYLYZUGOCA-LJQANCHMSA-N 0 3 412.530 3.745 50 0 HHAAHN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](N(C)CCc3ccccc3)C2)c1C ZINC000012315945 558379331 /nfs/dbraw/zinc/37/93/31/558379331.db2.gz JKUZNKPZYCBMNR-HXUWFJFHSA-N 0 3 411.546 3.587 50 0 HHAAHN O=C(CCc1ccccc1)NC[C@H]1CCCN(Cc2ccc(-n3cccn3)cc2)C1 ZINC000012315937 558379365 /nfs/dbraw/zinc/37/93/65/558379365.db2.gz OAVFQBUNNXJICK-HSZRJFAPSA-N 0 3 402.542 3.833 50 0 HHAAHN COc1cccc(C[C@@]2(CO)CCCN(CC3=Cc4cc(OC)ccc4OC3)C2)c1 ZINC000012386294 558394970 /nfs/dbraw/zinc/39/49/70/558394970.db2.gz NWQCCLJPCLAEDN-VWLOTQADSA-N 0 3 409.526 3.797 50 0 HHAAHN Cc1cccn2c(CN3CC[C@H](C4CCCCC4)C3)c(C(=O)N3CCOCC3)nc12 ZINC000012434052 558407868 /nfs/dbraw/zinc/40/78/68/558407868.db2.gz SPNPRRBGAOQNNS-FQEVSTJZSA-N 0 3 410.562 3.517 50 0 HHAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ccc(COC)o1 ZINC000012458001 558417957 /nfs/dbraw/zinc/41/79/57/558417957.db2.gz UZCVJDZDRUYTBU-FQEVSTJZSA-N 0 3 414.546 3.851 50 0 HHAAHN COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3cccc(O)c3)C2)c(OC)c1 ZINC000012463871 558419974 /nfs/dbraw/zinc/41/99/74/558419974.db2.gz OOKIZARCQIWRJY-GOSISDBHSA-N 0 3 412.530 3.718 50 0 HHAAHN Cc1cc(C)n(-c2cccc(CN3CCN(Cc4ccccc4C)[C@@H](CCO)C3)c2)n1 ZINC000020906721 558421102 /nfs/dbraw/zinc/42/11/02/558421102.db2.gz BTYXTQTXDHONPF-SANMLTNESA-N 0 3 418.585 3.866 50 0 HHAAHN COc1ccc(-c2ncc(CN[C@H]3CCCN(Cc4cccc(OC)c4)C3)cn2)cc1 ZINC000020909070 558421799 /nfs/dbraw/zinc/42/17/99/558421799.db2.gz CMUQREJUKUPBLL-QFIPXVFZSA-N 0 3 418.541 3.915 50 0 HHAAHN Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCC[C@@H](C(N)=O)C1 ZINC000012595119 558437469 /nfs/dbraw/zinc/43/74/69/558437469.db2.gz AVIXWNUGZDCXHI-MRXNPFEDSA-N 0 3 410.468 3.823 50 0 HHAAHN CCCn1ncc(CN2CCC[C@](Cc3cccc(OC)c3)(C(=O)OCC)C2)c1C ZINC000012707341 558450214 /nfs/dbraw/zinc/45/02/14/558450214.db2.gz UXNPYKVMKYXZSP-XMMPIXPASA-N 0 3 413.562 3.998 50 0 HHAAHN COc1ccc(C(=O)NC2CC2)c(OC2CCN([C@H](C)COc3ccccc3)CC2)c1 ZINC000012713660 558453792 /nfs/dbraw/zinc/45/37/92/558453792.db2.gz QOUIUFUYPGCIHP-GOSISDBHSA-N 0 3 424.541 3.898 50 0 HHAAHN COc1ccc(CCN(CC2CCN(C)CC2)C(=O)Cc2ccccc2OC)cc1 ZINC000012750133 558458845 /nfs/dbraw/zinc/45/88/45/558458845.db2.gz GBJGOWJBUBEQLV-UHFFFAOYSA-N 0 3 410.558 3.659 50 0 HHAAHN Cc1ccc(CN2CCC(Oc3ccc(C(=O)NCCN(C)C)cc3Cl)CC2)o1 ZINC000012754127 558459562 /nfs/dbraw/zinc/45/95/62/558459562.db2.gz YCTQFMUEJRNUJU-UHFFFAOYSA-N 0 3 419.953 3.576 50 0 HHAAHN C[C@@H](CC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)NC(=O)c1ccccc1 ZINC000022681451 558504452 /nfs/dbraw/zinc/50/44/52/558504452.db2.gz ZCKYHIMSUCITGF-ICSRJNTNSA-N 0 3 413.587 3.846 50 0 HHAAHN CCOc1ccc(CN2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)cc1CO ZINC000023360950 558552039 /nfs/dbraw/zinc/55/20/39/558552039.db2.gz CCRXXXKIODCOHH-XMMPIXPASA-N 0 3 423.601 3.673 50 0 HHAAHN CCOc1cc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)ccc1OC ZINC000023373071 558553296 /nfs/dbraw/zinc/55/32/96/558553296.db2.gz ADXLVOTUAZNDBQ-QHCPKHFHSA-N 0 3 412.574 3.595 50 0 HHAAHN OCC[C@@H]1CN(Cc2cnn(-c3ccccc3F)c2)CCN1CCCc1ccccc1 ZINC000023373892 558553780 /nfs/dbraw/zinc/55/37/80/558553780.db2.gz AXEXRAZVQLVEKS-HSZRJFAPSA-N 0 3 422.548 3.513 50 0 HHAAHN O=C(CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccccc1Cl ZINC000023382200 558555735 /nfs/dbraw/zinc/55/57/35/558555735.db2.gz USVCSIJAKIHJPD-AUUYWEPGSA-N 0 3 424.888 3.785 50 0 HHAAHN Cc1ccc(NC(=O)CC2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)c(F)c1 ZINC000023382301 558555759 /nfs/dbraw/zinc/55/57/59/558555759.db2.gz KBCHKCKRUCNBKI-QRWLVFNGSA-N 0 3 422.460 3.579 50 0 HHAAHN O=C(CC1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000023382414 558556046 /nfs/dbraw/zinc/55/60/46/558556046.db2.gz NANFCYUNPXMFLL-FQEVSTJZSA-N 0 3 415.428 3.687 50 0 HHAAHN Cc1nn(C)c2nc(C(C)C)cc(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)c12 ZINC000024837341 558616269 /nfs/dbraw/zinc/61/62/69/558616269.db2.gz DCRAXPLXZLQELM-NRFANRHFSA-N 0 3 405.546 3.967 50 0 HHAAHN COc1cccc(NC(=O)[C@@H](NCCc2ccc3c(c2)OCO3)c2ccccc2)c1 ZINC000025697756 558648319 /nfs/dbraw/zinc/64/83/19/558648319.db2.gz RHAYHJBPEFNKRX-QHCPKHFHSA-N 0 3 404.466 3.936 50 0 HHAAHN CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](NCc1cc(F)cc(F)c1)CC2 ZINC000014535120 558657799 /nfs/dbraw/zinc/65/77/99/558657799.db2.gz GZCQYSWHRVNZCZ-FQEVSTJZSA-N 0 3 424.495 3.559 50 0 HHAAHN CCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccc(OC)cc3)CC2)C1=O ZINC000014731901 558665679 /nfs/dbraw/zinc/66/56/79/558665679.db2.gz SQOPJGZICGTZRM-UHFFFAOYSA-N 0 3 421.541 3.557 50 0 HHAAHN CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](NCc1ccccc1Cl)CC2 ZINC000014732116 558665773 /nfs/dbraw/zinc/66/57/73/558665773.db2.gz YFTMZPSBMGASGE-IBGZPJMESA-N 0 3 422.960 3.934 50 0 HHAAHN CCCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1nc(-c3ccccc3)cs1)C2 ZINC000014732581 558665877 /nfs/dbraw/zinc/66/58/77/558665877.db2.gz LLCYIJKHFKEVCQ-KRWDZBQOSA-N 0 3 423.586 3.766 50 0 HHAAHN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC1(N2CCN(C)CC2)CCCCC1 ZINC000027744274 558681019 /nfs/dbraw/zinc/68/10/19/558681019.db2.gz DSRIORSLQVDQPD-HXUWFJFHSA-N 0 3 415.622 3.818 50 0 HHAAHN COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(C/C=C/c3ccccc3OC)C2)c1 ZINC000014953527 558681539 /nfs/dbraw/zinc/68/15/39/558681539.db2.gz YRHMMHDZALZIJI-VQFGERMISA-N 0 3 424.541 3.868 50 0 HHAAHN Fc1ccc(-n2cc(CNC[C@H]3COCCO3)c(-c3ccccc3Cl)n2)cc1 ZINC000014964056 558685114 /nfs/dbraw/zinc/68/51/14/558685114.db2.gz CHWFGWHKMLVJFV-SFHVURJKSA-N 0 3 401.869 3.837 50 0 HHAAHN Cc1ccsc1CN1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1 ZINC000014998163 558696804 /nfs/dbraw/zinc/69/68/04/558696804.db2.gz MKKXQXYHBZGIAG-SFHVURJKSA-N 0 3 423.586 3.516 50 0 HHAAHN O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1cccc(CN2CCCC2=O)c1 ZINC000072281252 558706954 /nfs/dbraw/zinc/70/69/54/558706954.db2.gz ZKJPNFHIQQSNHJ-LJQANCHMSA-N 0 3 412.559 3.829 50 0 HHAAHN COc1cccc(-c2cc(CC3(O)CCN(C4Cc5ccccc5C4)CC3)on2)c1 ZINC000015079355 558718372 /nfs/dbraw/zinc/71/83/72/558718372.db2.gz DEDVCCWYUQLXSE-UHFFFAOYSA-N 0 3 404.510 3.887 50 0 HHAAHN CNC(=O)c1ccc(CN(C)C[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC000030533810 558732051 /nfs/dbraw/zinc/73/20/51/558732051.db2.gz RJOWXLVZXLTTLB-FQEVSTJZSA-N 0 3 401.510 3.647 50 0 HHAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)n1 ZINC000033326781 558766875 /nfs/dbraw/zinc/76/68/75/558766875.db2.gz XAIKFDLTEJWVIG-UHFFFAOYSA-N 0 3 416.529 3.893 50 0 HHAAHN Cc1ccc(C)c(-c2n[nH]cc2CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)c1 ZINC000019223751 558852339 /nfs/dbraw/zinc/85/23/39/558852339.db2.gz CIAVUDHLEUWCPN-DEOSSOPVSA-N 0 3 418.585 3.805 50 0 HHAAHN O=c1c(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)coc2ccc(Cl)cc12 ZINC000019225495 558852589 /nfs/dbraw/zinc/85/25/89/558852589.db2.gz YEXOWZSOQNYHEK-IBGZPJMESA-N 0 3 404.938 3.648 50 0 HHAAHN Cc1ccc(CN2CCN(Cc3ccc(-n4cccn4)cc3C)C[C@@H]2CCO)cc1 ZINC000019300375 558866350 /nfs/dbraw/zinc/86/63/50/558866350.db2.gz NVXKYLORNKHLOC-VWLOTQADSA-N 0 3 404.558 3.558 50 0 HHAAHN NC(=O)Nc1cccc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000058139645 558901468 /nfs/dbraw/zinc/90/14/68/558901468.db2.gz IEUUIWUJMWGZAG-LJQANCHMSA-N 0 3 406.408 3.570 50 0 HHAAHN CN(C)CCN(Cc1ccccc1)C(=O)NCCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000058174135 558908696 /nfs/dbraw/zinc/90/86/96/558908696.db2.gz QFWDZNHZNMPYED-UHFFFAOYSA-N 0 3 418.582 3.549 50 0 HHAAHN CCN1c2cc(C(=O)N3CCN(C4CCCCC4)CC3)ccc2C(=O)N2CCCC[C@H]12 ZINC000097087490 558990993 /nfs/dbraw/zinc/99/09/93/558990993.db2.gz CYJAAWZUFFUJMN-HSZRJFAPSA-N 0 3 424.589 3.569 50 0 HHAAHN O=C(NCC1CCN(Cc2cccs2)CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000023127526 559015843 /nfs/dbraw/zinc/01/58/43/559015843.db2.gz TYQAAWMIVYLRRB-UHFFFAOYSA-N 0 3 409.914 3.508 50 0 HHAAHN Cc1cccc(OCCN2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)c1C ZINC000092066473 559075382 /nfs/dbraw/zinc/07/53/82/559075382.db2.gz JJOOBVVFWBPXPT-NRFANRHFSA-N 0 3 400.563 3.566 50 0 HHAAHN Cc1cc(=O)cc(C(=O)N(C)C[C@H]2CCCN(CCc3ccc(Cl)cc3)C2)o1 ZINC000095530307 559086743 /nfs/dbraw/zinc/08/67/43/559086743.db2.gz VUCRVSURLPIADY-GOSISDBHSA-N 0 3 402.922 3.628 50 0 HHAAHN COc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000011614434 559113698 /nfs/dbraw/zinc/11/36/98/559113698.db2.gz NSQWYRHSBKWNDT-OAQYLSRUSA-N 0 3 406.482 3.607 50 0 HHAAHN CCN(CC)CCN(C(=O)c1ccn(C)n1)c1nc2c(s1)c(Cl)ccc2OC ZINC000011695523 559188601 /nfs/dbraw/zinc/18/86/01/559188601.db2.gz HUWVATHCDKWPMY-UHFFFAOYSA-N 0 3 421.954 3.680 50 0 HHAAHN Cc1cc(S(=O)(=O)[N-]CC2CC[NH+]([C@@H]3CCSC3)CC2)c(Cl)cc1Cl ZINC000225574085 559189242 /nfs/dbraw/zinc/18/92/42/559189242.db2.gz PDHWKKWIZNDHNY-CQSZACIVSA-N 0 3 423.431 3.798 50 0 HHAAHN CC(C)(C)CN1CCOc2ccc(CN3CCC(O)(c4cccnc4)CC3)cc2C1 ZINC000011913027 559267040 /nfs/dbraw/zinc/26/70/40/559267040.db2.gz VSIOTROGKIMTDH-UHFFFAOYSA-N 0 3 409.574 3.806 50 0 HHAAHN CN(C)[C@H]1Cc2ccccc2N(C(=O)Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000078802969 560540704 /nfs/dbraw/zinc/54/07/04/560540704.db2.gz GGKRLRGYUJMETB-KRWDZBQOSA-N 0 3 400.906 3.563 50 0 HHAAHN COc1ccc(-c2nn(-c3ccccc3)c3c(O)n(-c4ccccc4F)c(O)c23)cc1 ZINC000103530388 560842524 /nfs/dbraw/zinc/84/25/24/560842524.db2.gz DRKRIHLARXGZMC-UNMCSNQZSA-N 0 3 415.424 3.617 50 0 HHAAHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000095397901 568604617 /nfs/dbraw/zinc/60/46/17/568604617.db2.gz MJJZVCSKBBVBJO-LJQANCHMSA-N 0 3 411.502 3.682 50 0 HHAAHN Cc1ncc(CNCCCO)c2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000095475426 568629870 /nfs/dbraw/zinc/62/98/70/568629870.db2.gz IIWZPTTUEVRMNP-UHFFFAOYSA-N 0 3 403.276 3.602 50 0 HHAAHN Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000095478225 568631574 /nfs/dbraw/zinc/63/15/74/568631574.db2.gz SLLJGAGEPRVKDX-UHFFFAOYSA-N 0 3 406.505 3.848 50 0 HHAAHN CC(C)NC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000020762163 568642795 /nfs/dbraw/zinc/64/27/95/568642795.db2.gz MWHAEIYCMQZNGZ-NQIIRXRSSA-N 0 3 424.593 3.646 50 0 biogenic HHAAHN COc1ccc(CN(CC(O)CN(Cc2ccc(OC)cc2)C2CC2)C2CC2)cc1 ZINC000095996044 568678812 /nfs/dbraw/zinc/67/88/12/568678812.db2.gz ZUCSFSQMPWKYLF-UHFFFAOYSA-N 0 3 410.558 3.694 50 0 HHAAHN COc1c(Br)cc(Br)cc1CN[C@@H](C)Cn1cccn1 ZINC000030904393 568686912 /nfs/dbraw/zinc/68/69/12/568686912.db2.gz OVJZLFZEZTUUHI-JTQLQIEISA-N 0 3 403.118 3.595 50 0 HHAAHN CCN1CCC[C@H]1CNC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O ZINC000096114037 568693584 /nfs/dbraw/zinc/69/35/84/568693584.db2.gz BMNPEPNKPALZFA-KRWDZBQOSA-N 0 3 410.514 3.998 50 0 biogenic HHAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccncc3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000230035778 568803077 /nfs/dbraw/zinc/80/30/77/568803077.db2.gz PUFCLNNYRLZNST-XUVXKRRUSA-N 0 3 405.841 3.786 50 0 HHAAHN CN(C)CCNCc1nn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1 ZINC000261492478 568820366 /nfs/dbraw/zinc/82/03/66/568820366.db2.gz XYYSLEMPUGCCPQ-UHFFFAOYSA-N 0 3 404.345 3.951 50 0 HHAAHN CC[C@@H](C)NCC(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl ZINC000005955733 568832172 /nfs/dbraw/zinc/83/21/72/568832172.db2.gz VXQNQPUDZRPCMP-OAHLLOKOSA-N 0 3 423.966 3.882 50 0 HHAAHN CN(C)[C@@H](CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000003318021 568879777 /nfs/dbraw/zinc/87/97/77/568879777.db2.gz NZBGQLIWJLRJSE-KRWDZBQOSA-N 0 3 416.934 3.901 50 0 HHAAHN CC(=O)Nc1ccc2nc(CN(C)CC3(N4CCOCC4)CCCCC3)ccc2c1 ZINC000670440815 568890880 /nfs/dbraw/zinc/89/08/80/568890880.db2.gz SMNPCMHPFYNVMI-UHFFFAOYSA-N 0 3 410.562 3.660 50 0 HHAAHN COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CC(C)C)N[C@@]23c2ccccc2NC3=O)c1 ZINC000004090925 568942275 /nfs/dbraw/zinc/94/22/75/568942275.db2.gz QIQVRKQPQRRCDZ-MBSHLRGSSA-N 0 3 423.513 3.514 50 0 biogenic HHAAHN COCCN1CCC[C@H](CNC(=O)c2ccc3nc(-c4cccc(OC)c4)oc3c2)C1 ZINC000012762965 568946678 /nfs/dbraw/zinc/94/66/78/568946678.db2.gz LUDWIZQEBBXWGP-QGZVFWFLSA-N 0 3 423.513 3.592 50 0 HHAAHN Cc1noc(C)c1COc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000008133837 568976654 /nfs/dbraw/zinc/97/66/54/568976654.db2.gz OSMLZOTVJGXJJO-OAQYLSRUSA-N 0 3 405.498 3.875 50 0 HHAAHN CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCC1CCN(Cc2ccc(C)cc2)CC1 ZINC000015773657 568998789 /nfs/dbraw/zinc/99/87/89/568998789.db2.gz KXBZXOZAOWUUQP-XMMPIXPASA-N 0 3 419.569 3.691 50 0 HHAAHN COc1cccc2cc(C(=O)NCC3CCN(Cc4cccs4)CC3)c(=O)oc21 ZINC000038584678 569002131 /nfs/dbraw/zinc/00/21/31/569002131.db2.gz VLFOZPFAAOCILO-UHFFFAOYSA-N 0 3 412.511 3.505 50 0 HHAAHN CN(C)[C@@H](CNC(=O)c1ccccc1NC(=O)Cc1ccccc1)c1ccccc1 ZINC000008428364 569002366 /nfs/dbraw/zinc/00/23/66/569002366.db2.gz LCOQUURZRMDKRW-QHCPKHFHSA-N 0 3 401.510 3.901 50 0 HHAAHN COc1ccc2[nH]c(CN3CCN(Cc4ccccc4C)[C@H](CCO)C3)c(C)c2c1 ZINC000104464808 569008658 /nfs/dbraw/zinc/00/86/58/569008658.db2.gz YUMOPPHCFNXVKE-OAQYLSRUSA-N 0 3 407.558 3.862 50 0 HHAAHN CCOc1ccc(CN2CCN(Cc3cn(C)c4ccccc34)C[C@H]2CCO)cc1 ZINC000104557918 569009035 /nfs/dbraw/zinc/00/90/35/569009035.db2.gz IDHJARVLFPJUGW-JOCHJYFZSA-N 0 3 407.558 3.646 50 0 HHAAHN CC1CCN([C@@H](CNC(=O)c2ccc(Cn3cncn3)cc2)c2cccs2)CC1 ZINC000012904797 569021122 /nfs/dbraw/zinc/02/11/22/569021122.db2.gz WPXNSTUMOASGBQ-FQEVSTJZSA-N 0 3 409.559 3.591 50 0 HHAAHN O=S(=O)([N-]CCC[NH+]1CCCCCC1)c1ccc(Br)cc1Cl ZINC000026818090 569056800 /nfs/dbraw/zinc/05/68/00/569056800.db2.gz HACAFVUKNIFBOL-UHFFFAOYSA-N 0 3 409.777 3.647 50 0 HHAAHN COc1ccc([C@H](CNCc2c(Cl)cccc2N(C)C)N2CCOCC2)cc1 ZINC000089326730 569058480 /nfs/dbraw/zinc/05/84/80/569058480.db2.gz ZAATXPJAGPAQNZ-QFIPXVFZSA-N 0 3 403.954 3.578 50 0 HHAAHN COc1ccc([C@@H](NC(=O)CNCCOc2ccccc2OC)c2ccccc2)cc1 ZINC000016695493 569070839 /nfs/dbraw/zinc/07/08/39/569070839.db2.gz BDPWPRKFPNSSFV-VWLOTQADSA-N 0 3 420.509 3.578 50 0 HHAAHN COCCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2C)CC1 ZINC000064666608 569078341 /nfs/dbraw/zinc/07/83/41/569078341.db2.gz ZHUOJADRPXIUFX-UHFFFAOYSA-N 0 3 419.569 3.973 50 0 HHAAHN COc1ccc(OC[C@H](O)CN(Cc2ccc(OC)c(OC)c2)CC(C)C)cc1 ZINC000036095639 569089897 /nfs/dbraw/zinc/08/98/97/569089897.db2.gz QNXCNRZKUBRCDJ-LJQANCHMSA-N 0 3 403.519 3.610 50 0 HHAAHN CCc1cccc2c([C@H](CC(=O)NCCN(C)C)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000006706259 569095217 /nfs/dbraw/zinc/09/52/17/569095217.db2.gz IGVCXUYXZRUBEN-LJQANCHMSA-N 0 3 407.514 3.659 50 0 HHAAHN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(CCN(C)C)C(=O)c2ccco2)c1 ZINC000006723135 569100001 /nfs/dbraw/zinc/10/00/01/569100001.db2.gz IYXWHSYOORKUOA-UHFFFAOYSA-N 0 3 414.550 3.534 50 0 HHAAHN Cn1cc(NC(=O)NCCN(Cc2ccco2)C2CCCC2)c2ccccc2c1=O ZINC000006724919 569100800 /nfs/dbraw/zinc/10/08/00/569100800.db2.gz GMKHOLXTBYPOQJ-UHFFFAOYSA-N 0 3 408.502 3.698 50 0 HHAAHN CCCCNCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)c2ccccc2)c1 ZINC000006778449 569118860 /nfs/dbraw/zinc/11/88/60/569118860.db2.gz YCWSRKQDSVQRDT-UHFFFAOYSA-N 0 3 423.966 3.883 50 0 HHAAHN O=C(NCc1ccc(Cl)cc1)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1 ZINC000065255946 569208132 /nfs/dbraw/zinc/20/81/32/569208132.db2.gz LLKCYPYOONPQRF-OAQYLSRUSA-N 0 3 406.917 3.816 50 0 HHAAHN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)N1CCN2CCC[C@@H]2C1 ZINC000036613310 569209201 /nfs/dbraw/zinc/20/92/01/569209201.db2.gz BNGCFVOYPKLCMQ-LJQANCHMSA-N 0 3 403.530 3.655 50 0 HHAAHN COc1cccc(-c2noc3nc(C)cc(C(=O)N[C@@H](C)CN4CCCCC4)c32)c1 ZINC000036619284 569210615 /nfs/dbraw/zinc/21/06/15/569210615.db2.gz DECBSUBKDWRMOX-INIZCTEOSA-N 0 3 408.502 3.811 50 0 HHAAHN CCN(CC)CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1cccc(OC)c1 ZINC000007263616 569230804 /nfs/dbraw/zinc/23/08/04/569230804.db2.gz MHELJOCDBZXDRF-JOCHJYFZSA-N 0 3 420.509 3.997 50 0 HHAAHN Cc1csc(CCCNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(F)(F)F)n1 ZINC000170617681 569247718 /nfs/dbraw/zinc/24/77/18/569247718.db2.gz KDEJBRWCAPVMCZ-SJORKVTESA-N 0 3 411.493 3.811 50 0 HHAAHN CC(C)CN1CCN([C@@H]2CCOC3(CCN(C(=O)CC4CCCCC4)CC3)C2)CC1 ZINC000581819804 569320692 /nfs/dbraw/zinc/32/06/92/569320692.db2.gz MBJGDVRVWZDVGN-HSZRJFAPSA-N 0 3 419.654 3.771 50 0 HHAAHN CC(C)(C)c1ccc(C(=O)NCC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000027605940 569375997 /nfs/dbraw/zinc/37/59/97/569375997.db2.gz KJFWBSJRQGPDSB-LJQANCHMSA-N 0 3 413.587 3.729 50 0 HHAAHN C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CCN2CCC(O)CC2)cc1 ZINC000078947448 569421836 /nfs/dbraw/zinc/42/18/36/569421836.db2.gz CPRVQMROVDCERW-INIZCTEOSA-N 0 3 402.922 3.745 50 0 HHAAHN CO[C@@H](C)c1noc(CCC(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)n1 ZINC000079018085 569424156 /nfs/dbraw/zinc/42/41/56/569424156.db2.gz ZQGZZGWVYBXAAN-KRWDZBQOSA-N 0 3 422.529 3.755 50 0 HHAAHN COCCN(C[C@@H]1CN(Cc2ccc[nH]2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000245328865 571225531 /nfs/dbraw/zinc/22/55/31/571225531.db2.gz QHTQETRUAUTZJL-UGKGYDQZSA-N 0 3 401.526 3.500 50 0 HHAAHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000070039894 571254908 /nfs/dbraw/zinc/25/49/08/571254908.db2.gz RDWLWYOLVMITEH-JHJVBQTASA-N 0 3 407.399 3.537 50 0 HHAAHN Cc1ccc(CN2CCC(CNC(=O)c3ccc4c(c3)nc3n4CCOC3)CC2)cc1 ZINC000021943138 571315130 /nfs/dbraw/zinc/31/51/30/571315130.db2.gz DLFBAESGSCEBOP-UHFFFAOYSA-N 0 3 418.541 3.517 50 0 HHAAHN C[C@@]1(C2CCN(Cc3ccc(F)cc3)CC2)NC(=O)N(Cc2ccsc2)C1=O ZINC000011784124 962188749 /nfs/dbraw/zinc/18/87/49/962188749.db2.gz GUPZVOWIGFAOHJ-NRFANRHFSA-N 0 3 401.507 3.610 50 0 HHAAHN COc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCCN(CCc4ccccc4)C3)[nH]n2)cc1 ZINC000011819101 962197781 /nfs/dbraw/zinc/19/77/81/962197781.db2.gz SMQIVJQBFNDWOP-OAQYLSRUSA-N 0 3 418.541 3.864 50 0 HHAAHN COCc1cc(CN2CCC[C@@H](Nc3ccc(OC)c(OC)c3)C2)ccc1OC ZINC000011821397 962199206 /nfs/dbraw/zinc/19/92/06/962199206.db2.gz UFIZDZNDIBTEHT-HXUWFJFHSA-N 0 3 400.519 3.935 50 0 HHAAHN CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(-c3ccco3)cc1)CC2 ZINC000014950516 962613055 /nfs/dbraw/zinc/61/30/55/962613055.db2.gz SLARTPYQDGFRHH-NRFANRHFSA-N 0 3 421.545 3.820 50 0 HHAAHN Cc1[nH]nc(CCC(=O)N2CC[C@@]3(C2)CCCN(Cc2cccc(F)c2F)C3)c1C ZINC000015070664 962647236 /nfs/dbraw/zinc/64/72/36/962647236.db2.gz OHOKUOOBGCXWGS-QHCPKHFHSA-N 0 3 416.516 3.752 50 0 HHAAHN CCc1ccc([C@H](CNC(=O)/C=C\c2ccc(N3CCCC3=O)cc2)N(C)C)cc1 ZINC000096940651 969058686 /nfs/dbraw/zinc/05/86/86/969058686.db2.gz YWEMAOONTUSLNX-NYURDRINSA-N 0 3 405.542 3.808 50 0 HHAAHN c1cn2c(n1)[C@@H](C1CCN(Cc3cccnc3)CC1)N(Cc1cccnc1)CCC2 ZINC000257191919 970623565 /nfs/dbraw/zinc/62/35/65/970623565.db2.gz RRHGKQBVNDKAEG-HSZRJFAPSA-N 0 3 402.546 3.532 50 0 HHAAHN c1cn2c(n1)[C@H](C1CCN(Cc3cccnc3)CC1)N(Cc1cccnc1)CCC2 ZINC000257191920 970623894 /nfs/dbraw/zinc/62/38/94/970623894.db2.gz RRHGKQBVNDKAEG-QHCPKHFHSA-N 0 3 402.546 3.532 50 0 HHAAHN O=C1CCN(Cc2cccc(F)c2)CCC[C@H](c2nc(-c3cccnc3)no2)CCN1 ZINC000257197155 970626477 /nfs/dbraw/zinc/62/64/77/970626477.db2.gz ZNXGQPDRBWIWJO-SFHVURJKSA-N 0 3 423.492 3.547 50 0 HHAAHN CC[C@H]1CN(CCC(=O)N2CCc3sccc3C2)Cc2cc(OC)ccc2O1 ZINC000299791957 970723580 /nfs/dbraw/zinc/72/35/80/970723580.db2.gz DLLCDWVOLMDSMP-SFHVURJKSA-N 0 3 400.544 3.705 50 0 HHAAHN COc1ccc(Cl)cc1C(=O)N1CCC([C@@H]2c3[nH]cnc3CCN2C(C)C)CC1 ZINC000409419669 972890343 /nfs/dbraw/zinc/89/03/43/972890343.db2.gz APSNVTAJWCXJBP-OAQYLSRUSA-N 0 3 416.953 3.932 50 0 HHAAHN CCc1ccc(CN2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1 ZINC000001179446 132240767 /nfs/dbraw/zinc/24/07/67/132240767.db2.gz XSFXLWPCRWZLJT-UHFFFAOYSA-N 0 3 409.549 3.949 50 0 HHAAHN COc1ccccc1CN1CCC(C(=O)N2CCN(c3cccc(C)c3C)CC2)CC1 ZINC000002828242 132258121 /nfs/dbraw/zinc/25/81/21/132258121.db2.gz NMGASPVZAHPNBK-UHFFFAOYSA-N 0 3 421.585 3.873 50 0 HHAAHN CCOc1ccc(CN2CCC(N3CCN(c4ccccc4OC)CC3)CC2)cc1 ZINC000004712103 132285302 /nfs/dbraw/zinc/28/53/02/132285302.db2.gz YGNYOMUYELCKJX-UHFFFAOYSA-N 0 3 409.574 3.881 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)CN3CCC[C@H]3c3cccc(OC)c3)cc2)CC1 ZINC000010228052 132345482 /nfs/dbraw/zinc/34/54/82/132345482.db2.gz TZNCZDFGVJITRS-DEOSSOPVSA-N 0 3 422.573 3.613 50 0 HHAAHN CC(C)CC(=O)Nc1nc(C(=O)NC2CCN(Cc3ccccc3)CC2)cs1 ZINC000040355272 519609791 /nfs/dbraw/zinc/60/97/91/519609791.db2.gz ZPQZANNFLKOWID-UHFFFAOYSA-N 0 3 400.548 3.522 50 0 HHAAHN CC(C)NC(=O)[C@@H]1C[C@@H](NCc2ccc(F)cc2)CN1Cc1ccccc1Cl ZINC000032590471 519714890 /nfs/dbraw/zinc/71/48/90/519714890.db2.gz MPJTUOXLAMSWQD-CTNGQTDRSA-N 0 3 403.929 3.736 50 0 HHAAHN CCN1CCN(c2ccc(N[C@H](C)C(=O)Nc3ccc(F)cc3F)c(C)c2)CC1 ZINC000032772069 521699001 /nfs/dbraw/zinc/69/90/01/521699001.db2.gz BHTXEKMPYYKCCM-MRXNPFEDSA-N 0 3 402.489 3.854 50 0 HHAAHN CCN1CCN(c2ccc(N[C@H](C)C(=O)Nc3ccc(F)c(F)c3)c(C)c2)CC1 ZINC000032772073 521699277 /nfs/dbraw/zinc/69/92/77/521699277.db2.gz DJYSFKILSGLROD-MRXNPFEDSA-N 0 3 402.489 3.854 50 0 HHAAHN CC[C@H](CNC(=O)c1cc(Br)c(Br)s1)N1CCCC1 ZINC000032653222 522185652 /nfs/dbraw/zinc/18/56/52/522185652.db2.gz ZSUNECPXHVMMAS-SECBINFHSA-N 0 3 410.175 3.877 50 0 HHAAHN Cc1cc(C)cc(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c1 ZINC000020599874 524384033 /nfs/dbraw/zinc/38/40/33/524384033.db2.gz LNHTVYXMFKWMCQ-JOCHJYFZSA-N 0 3 421.545 3.673 50 0 HHAAHN COc1cccc(-c2noc3nc(C4CC4)cc(C(=O)NC4CCN(C)CC4)c32)c1 ZINC000036619425 525741804 /nfs/dbraw/zinc/74/18/04/525741804.db2.gz QYLYIUNKQPJLSC-UHFFFAOYSA-N 0 3 406.486 3.600 50 0 HHAAHN Fc1ccc(-n2cc(CNCCN3CCOCC3)c(-c3ccccc3Cl)n2)cc1 ZINC000020601453 526321796 /nfs/dbraw/zinc/32/17/96/526321796.db2.gz OSHHGLCSLPLCHG-UHFFFAOYSA-N 0 3 414.912 3.754 50 0 HHAAHN OCC[C@H]1CN(C2CCN(c3ccccc3)CC2)CCN1Cc1ccc(F)c(F)c1 ZINC000020600937 527571783 /nfs/dbraw/zinc/57/17/83/527571783.db2.gz LOGUSFOQXAHZOA-QFIPXVFZSA-N 0 3 415.528 3.502 50 0 HHAAHN CCN1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccccc2Cl)C1=O ZINC000002212572 535550230 /nfs/dbraw/zinc/55/02/30/535550230.db2.gz GCEXEQFACKFRMH-ORMOWBNMSA-N 0 3 409.917 3.942 50 0 HHAAHN COc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000002703962 557369092 /nfs/dbraw/zinc/36/90/92/557369092.db2.gz SHOZPGXGSUJDIG-QFIPXVFZSA-N 0 3 420.509 3.915 50 0 HHAAHN COCCN(C[C@@H]1CN(Cc2ccco2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740516 557443858 /nfs/dbraw/zinc/44/38/58/557443858.db2.gz PAGXHOBXHCWNQO-SIKLNZKXSA-N 0 3 402.510 3.765 50 0 HHAAHN COCCN(C[C@H]1CN(Cc2ccccn2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740527 557444128 /nfs/dbraw/zinc/44/41/28/557444128.db2.gz QNFNKYWEFPREMI-NFBKMPQASA-N 0 3 413.537 3.567 50 0 HHAAHN COc1cc(CNCCCN2CCOCC2)cc(Cl)c1OCc1ccccc1 ZINC000005019641 557626528 /nfs/dbraw/zinc/62/65/28/557626528.db2.gz UGKPDVMLTFTRNN-UHFFFAOYSA-N 0 3 404.938 3.740 50 0 HHAAHN Cc1ccc(CN2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)o1 ZINC000011706269 558270831 /nfs/dbraw/zinc/27/08/31/558270831.db2.gz PRLKWGCKHYEYAG-QHCPKHFHSA-N 0 3 409.574 3.925 50 0 HHAAHN CO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2cccc(O)c2)CC1)c1ccccc1 ZINC000011873230 558291006 /nfs/dbraw/zinc/29/10/06/558291006.db2.gz NJLGVOTYHPRQJT-HSZRJFAPSA-N 0 3 420.513 3.752 50 0 HHAAHN COC(=O)c1ccc(CN2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cc1 ZINC000011874580 558292192 /nfs/dbraw/zinc/29/21/92/558292192.db2.gz XJRHAHBVEHAJEV-FQEVSTJZSA-N 0 3 418.497 3.510 50 0 HHAAHN O=C(CC1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccc(F)cc1 ZINC000020103521 558332894 /nfs/dbraw/zinc/33/28/94/558332894.db2.gz GIQTXDJLBPQPCA-HXUWFJFHSA-N 0 3 415.428 3.687 50 0 HHAAHN Cc1c(C(=O)N2CC[C@@H](N(C)C)C2)sc2ncnc(NCCCc3ccccc3)c12 ZINC000012163124 558342044 /nfs/dbraw/zinc/34/20/44/558342044.db2.gz MMCBKGIYEGWPLE-GOSISDBHSA-N 0 3 423.586 3.821 50 0 HHAAHN CCn1cc(CN2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 ZINC000020209416 558347201 /nfs/dbraw/zinc/34/72/01/558347201.db2.gz ACZGIABLTCIOOI-NRFANRHFSA-N 0 3 421.511 3.708 50 0 HHAAHN COC(=O)c1ccc(CN2CCC[C@@H](CCC(=O)NCc3cccc(OC)c3)C2)cc1 ZINC000012297450 558367668 /nfs/dbraw/zinc/36/76/68/558367668.db2.gz UOIGHMYZAOUXQP-IBGZPJMESA-N 0 3 424.541 3.790 50 0 HHAAHN CCN(CC)CC(=O)N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000012301035 558370854 /nfs/dbraw/zinc/37/08/54/558370854.db2.gz YFHWTONKKSARMK-UHFFFAOYSA-N 0 3 402.542 3.816 50 0 HHAAHN COc1ccc(/C=C/[C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCCN24)cc1 ZINC000012387458 558396392 /nfs/dbraw/zinc/39/63/92/558396392.db2.gz QLFUIJDMDPHWOX-MZMBWCASSA-N 0 3 418.537 3.983 50 0 HHAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2cc(C)n(C)n2)CC1 ZINC000012387557 558396441 /nfs/dbraw/zinc/39/64/41/558396441.db2.gz PVYYKFHNQSYUBE-UHFFFAOYSA-N 0 3 412.578 3.748 50 0 HHAAHN CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(Cc2ccc3c(c2)CCO3)C1 ZINC000012434950 558408617 /nfs/dbraw/zinc/40/86/17/558408617.db2.gz KGNWLOPCLXOSPX-HXUWFJFHSA-N 0 3 407.558 3.710 50 0 HHAAHN C[C@H](Cc1ccccc1F)N1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000012457103 558417556 /nfs/dbraw/zinc/41/75/56/558417556.db2.gz SEFFOPUJLQTDRQ-OAHLLOKOSA-N 0 3 418.896 3.873 50 0 HHAAHN COC(=O)c1ccc(C(=O)N(C)CC2CCN(CCc3ccccc3F)CC2)cc1 ZINC000012702056 558448077 /nfs/dbraw/zinc/44/80/77/558448077.db2.gz RTGNOMHXMPDPEQ-UHFFFAOYSA-N 0 3 412.505 3.639 50 0 HHAAHN C[C@@H](CC(F)(F)F)N1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1 ZINC000012718582 558456209 /nfs/dbraw/zinc/45/62/09/558456209.db2.gz UOLHCBJQDWUQDO-INIZCTEOSA-N 0 3 415.500 3.504 50 0 HHAAHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000022184494 558465369 /nfs/dbraw/zinc/46/53/69/558465369.db2.gz UGIGIGYLSFLGDV-YCRPNKLZSA-N 0 3 421.522 3.868 50 0 HHAAHN O=C(CN[C@@H](c1cccs1)c1ccc(F)cc1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000012802744 558472257 /nfs/dbraw/zinc/47/22/57/558472257.db2.gz VRXMMHHXBXJTRR-XUZZJYLKSA-N 0 3 423.557 3.957 50 0 HHAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNCCN1CCOCC1 ZINC000022774274 558509054 /nfs/dbraw/zinc/50/90/54/558509054.db2.gz IKJLCDVBKVMFES-UHFFFAOYSA-N 0 3 410.493 3.534 50 0 HHAAHN c1[nH]nc(-c2cccc3ccccc32)c1CNC[C@@H](c1ccncc1)N1CCOCC1 ZINC000022913114 558520333 /nfs/dbraw/zinc/52/03/33/558520333.db2.gz XZEAKBGYMXVTKS-DEOSSOPVSA-N 0 3 413.525 3.788 50 0 HHAAHN C(=C/c1ccccc1)\CN1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023374658 558554075 /nfs/dbraw/zinc/55/40/75/558554075.db2.gz JIGSNCQNCGVDRW-LHLOKTHNSA-N 0 3 419.569 3.711 50 0 HHAAHN CCN(CC)[C@H](CNC(=O)CSCC(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000027087165 558669461 /nfs/dbraw/zinc/66/94/61/558669461.db2.gz UZNKEARHAOSUHA-OAQYLSRUSA-N 0 3 413.587 3.866 50 0 HHAAHN CN1CCCN(C(=O)[C@@H]2CC23CCN(C/C(Cl)=C/c2ccccc2)CC3)CC1 ZINC000014953930 558681727 /nfs/dbraw/zinc/68/17/27/558681727.db2.gz BGKCSEGBOWRPAW-LDETYFQJSA-N 0 3 401.982 3.533 50 0 HHAAHN CC(C)=CCC[C@@H](C)CN1CCc2nnc(CNC(=O)c3cc(C)oc3C)n2CC1 ZINC000014980541 558691077 /nfs/dbraw/zinc/69/10/77/558691077.db2.gz AZWYUZJTAYIZQH-QGZVFWFLSA-N 0 3 413.566 3.659 50 0 HHAAHN C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCCCN2CCN(Cc3ccccc3)CC2)o1 ZINC000072277371 558703505 /nfs/dbraw/zinc/70/35/05/558703505.db2.gz LPDKOVIRMUYWOW-NFBKMPQASA-N 0 3 409.574 3.660 50 0 HHAAHN Cc1ccc(NC(=O)CC2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)c(C)c1 ZINC000030937542 558744871 /nfs/dbraw/zinc/74/48/71/558744871.db2.gz DFPLCWIPPRNNPV-UTKZUKDTSA-N 0 3 418.497 3.749 50 0 HHAAHN O=C(c1ccc(SCCN2CCCCC2)nc1)N1CCN(c2ccccc2)CC1 ZINC000033274469 558763817 /nfs/dbraw/zinc/76/38/17/558763817.db2.gz FXRIDHLIACETER-UHFFFAOYSA-N 0 3 410.587 3.622 50 0 HHAAHN CCCC(=O)OC[C@H](O)CN(Cc1cccn1Cc1cccc(F)c1)CC(C)C ZINC000004585917 558781367 /nfs/dbraw/zinc/78/13/67/558781367.db2.gz UFXLININODCTHK-JOCHJYFZSA-N 0 3 404.526 3.838 50 0 HHAAHN CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(CCN(C)C)C(=O)C(C)C ZINC000036249316 558798769 /nfs/dbraw/zinc/79/87/69/558798769.db2.gz WTYBSHSCENWKNW-UHFFFAOYSA-N 0 3 404.530 3.873 50 0 HHAAHN O=c1c(CN2CCN(C3CCCCC3)[C@H](CCO)C2)coc2ccc(Cl)cc12 ZINC000019225491 558852596 /nfs/dbraw/zinc/85/25/96/558852596.db2.gz YEXOWZSOQNYHEK-LJQANCHMSA-N 0 3 404.938 3.648 50 0 HHAAHN Cc1ccc(C2(c3noc(CN4CCN(c5ccncc5)CC4)n3)CCCC2)cc1 ZINC000055133367 558873866 /nfs/dbraw/zinc/87/38/66/558873866.db2.gz FOMVYUDCMNWGTD-UHFFFAOYSA-N 0 3 403.530 3.955 50 0 HHAAHN CCOc1cc(CNCCN2CCOCC2)ccc1OCc1ccccc1Cl ZINC000019361932 558876591 /nfs/dbraw/zinc/87/65/91/558876591.db2.gz WSHGPVUMULZJFU-UHFFFAOYSA-N 0 3 404.938 3.740 50 0 HHAAHN CCCN1CCN(c2ncnc3sc(C(=O)N(C)Cc4ccccc4)c(C)c32)CC1 ZINC000033048374 558885567 /nfs/dbraw/zinc/88/55/67/558885567.db2.gz QBPVHUIVDDEYAH-UHFFFAOYSA-N 0 3 423.586 3.804 50 0 HHAAHN FC(F)(F)c1cccc(N2CCN([C@H]3CCCN(CCc4ccccn4)C3)CC2)c1 ZINC000072144482 558929581 /nfs/dbraw/zinc/92/95/81/558929581.db2.gz ZHEUDDWSXSRLRF-QFIPXVFZSA-N 0 3 418.507 3.930 50 0 HHAAHN O=C(c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F)N1CC[C@H](N2CCCC2)C1 ZINC000060374126 558942069 /nfs/dbraw/zinc/94/20/69/558942069.db2.gz WRGSFMPXFCZKEE-HNNXBMFYSA-N 0 3 412.843 3.855 50 0 HHAAHN CCn1c2ccccc2nc1CN1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000019607590 558946624 /nfs/dbraw/zinc/94/66/24/558946624.db2.gz QZJCZFHGECHCTA-QFIPXVFZSA-N 0 3 403.574 3.843 50 0 HHAAHN CC(C)n1cc(-c2cc(C(=O)N3CCCN(C)C[C@@H]3C)c3ccc(F)cc3n2)cn1 ZINC000063855454 558959618 /nfs/dbraw/zinc/95/96/18/558959618.db2.gz VFLIFDOOJMXPBY-INIZCTEOSA-N 0 3 409.509 3.985 50 0 HHAAHN Cc1cccc(-c2noc(CNC(=O)C3CCN(Cc4ccc(F)cc4)CC3)n2)c1 ZINC000067604730 558988628 /nfs/dbraw/zinc/98/86/28/558988628.db2.gz RPYZOBGBVWAMGX-UHFFFAOYSA-N 0 3 408.477 3.713 50 0 HHAAHN Cc1ccc(CN2CCC(C(=O)NCc3nc(-c4ccc(C)cc4)no3)CC2)cc1 ZINC000067629864 558990223 /nfs/dbraw/zinc/99/02/23/558990223.db2.gz MYSJVMWSOUTNCI-UHFFFAOYSA-N 0 3 404.514 3.882 50 0 HHAAHN COc1cc(C)c(C)cc1S(=O)(=O)NCC1CCN(Cc2ccccc2)CC1 ZINC000023127646 559016028 /nfs/dbraw/zinc/01/60/28/559016028.db2.gz QHBWCEOLVTYIRB-UHFFFAOYSA-N 0 3 402.560 3.503 50 0 HHAAHN Cc1ccccc1N1CCN([C@@H]2CCCN(Cc3cccn3-c3ccccn3)C2)CC1 ZINC000097468993 559118948 /nfs/dbraw/zinc/11/89/48/559118948.db2.gz AFJONKXKVPKHIE-HSZRJFAPSA-N 0 3 415.585 3.967 50 0 HHAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000100722359 559138429 /nfs/dbraw/zinc/13/84/29/559138429.db2.gz AWYACEIVBOFBHB-BHDDXSALSA-N 0 3 418.424 3.885 50 0 HHAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000100722299 559138502 /nfs/dbraw/zinc/13/85/02/559138502.db2.gz JYJQMKATQMDTHU-FDFHNCONSA-N 0 3 400.434 3.746 50 0 HHAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccncc3)=NN12 ZINC000005093238 559244132 /nfs/dbraw/zinc/24/41/32/559244132.db2.gz RMKUEKOZFGENHR-SFHVURJKSA-N 0 3 413.319 3.810 50 0 HHAAHN O=C(Cc1cccc(C(F)(F)F)c1)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000046623245 560559760 /nfs/dbraw/zinc/55/97/60/560559760.db2.gz BNTHOLVAXICJRT-UHFFFAOYSA-N 0 3 419.491 3.572 50 0 HHAAHN CCN1CCc2nc(-c3ccccc3)n(CC(=O)Nc3cc(C)ccc3C)c(=O)c2C1 ZINC000062007145 560566362 /nfs/dbraw/zinc/56/63/62/560566362.db2.gz OGTNDSGMFBFQMV-UHFFFAOYSA-N 0 3 416.525 3.544 50 0 HHAAHN CCOc1ccc(-c2cc(C(=O)NCCCN3CCc4ccccc4C3)[nH]n2)cc1 ZINC000051315884 560856177 /nfs/dbraw/zinc/85/61/77/560856177.db2.gz YNLDMUOGALQLPI-UHFFFAOYSA-N 0 3 404.514 3.654 50 0 HHAAHN C[C@H]1CCCCN1CCNC(=O)CC[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 ZINC000106395612 560891188 /nfs/dbraw/zinc/89/11/88/560891188.db2.gz INFIXQIOBXSUDV-RBUKOAKNSA-N 0 3 418.557 3.840 50 0 HHAAHN COc1cccc([C@@H]2C[C@H]2C(=O)N(C)CC2CCN(C[C@H](O)c3ccccc3)CC2)c1 ZINC000107072695 560895273 /nfs/dbraw/zinc/89/52/73/560895273.db2.gz GTXXAQVDPOWIJP-GVAUOCQISA-N 0 3 422.569 3.703 50 0 HHAAHN Cc1ccc(CNC(=O)C2CCN(Cc3ccc(-n4cccn4)cc3)CC2)cc1F ZINC000047892066 568431504 /nfs/dbraw/zinc/43/15/04/568431504.db2.gz HAEMJOBDONXAJW-UHFFFAOYSA-N 0 3 406.505 3.848 50 0 HHAAHN CCN(CC)CCN(C(=O)c1cc(C)n(C)n1)c1nc2ccc(Cl)cc2s1 ZINC000012286699 568458698 /nfs/dbraw/zinc/45/86/98/568458698.db2.gz IGXJFNZVPQBQFH-UHFFFAOYSA-N 0 3 405.955 3.980 50 0 HHAAHN O=C(NCCN1CCCC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2 ZINC000032983613 568510200 /nfs/dbraw/zinc/51/02/00/568510200.db2.gz RJQSMSBKGHYSQX-MOSHPQCFSA-N 0 3 411.889 3.538 50 0 HHAAHN CCCN1CCN(CCCNC(=O)c2cc3cc4ccc(C)cc4nc3s2)CC1 ZINC000020178745 568593012 /nfs/dbraw/zinc/59/30/12/568593012.db2.gz JISQVPDMFBRJAN-UHFFFAOYSA-N 0 3 410.587 3.905 50 0 HHAAHN CC(C)c1ccc(-c2c(=O)c(=O)c2NCCCN2CCN(C3CCCCC3)CC2)cc1 ZINC000020510308 568621077 /nfs/dbraw/zinc/62/10/77/568621077.db2.gz OCVDTXDNMFLPQV-UHFFFAOYSA-N 0 3 423.601 3.825 50 0 HHAAHN O=C(O[C@@H]1CCN(CCc2ccccc2)C1)C(O)(c1ccccc1)c1ccccc1 ZINC000096026673 568686758 /nfs/dbraw/zinc/68/67/58/568686758.db2.gz GPQNKPHQEHQXEP-XMMPIXPASA-N 0 3 401.506 3.783 50 0 HHAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@@H]2C1=O ZINC000229963436 568715967 /nfs/dbraw/zinc/71/59/67/568715967.db2.gz MCEWVEMNJCRCNB-BHDDXSALSA-N 0 3 400.434 3.752 50 0 HHAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000229966502 568716318 /nfs/dbraw/zinc/71/63/18/568716318.db2.gz RAXYROGTNMRWJD-BHDDXSALSA-N 0 3 400.434 3.752 50 0 HHAAHN c1ccc(C(c2ccccc2)N2CCN(c3nn4nnnc4c4ccccc43)CC2)cc1 ZINC000021777464 568752248 /nfs/dbraw/zinc/75/22/48/568752248.db2.gz LRWYQHRBMGUUED-UHFFFAOYSA-N 0 3 421.508 3.584 50 0 HHAAHN CC1=C(C(=O)NCCCc2ccccc2)C2(CCN(Cc3ccccc3)CC2)OC1=O ZINC000021868336 568755915 /nfs/dbraw/zinc/75/59/15/568755915.db2.gz RSCYLYSFZCEANX-UHFFFAOYSA-N 0 3 418.537 3.644 50 0 biogenic HHAAHN CCN1CCC2(CC1)N=C(c1ccccc1)C(=S)N2C(=O)c1cccc(OC)c1 ZINC000002693643 568801267 /nfs/dbraw/zinc/80/12/67/568801267.db2.gz KJUGIQBEEUDIHZ-UHFFFAOYSA-N 0 3 407.539 3.780 50 0 HHAAHN C[C@@H]1CN(Cc2ccccc2)CC[C@@]1(Nc1ccc(Br)cc1)C(N)=O ZINC000230142473 568852435 /nfs/dbraw/zinc/85/24/35/568852435.db2.gz LSKQHNKOLJTEPH-QRWLVFNGSA-N 0 3 402.336 3.627 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)N(C)CCOc3ccccc3C)cc2C)CC1 ZINC000057866377 568864403 /nfs/dbraw/zinc/86/44/03/568864403.db2.gz VIXXBPYNCINHAD-UHFFFAOYSA-N 0 3 410.562 3.988 50 0 HHAAHN CN(C)[C@H](CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000003318022 568879684 /nfs/dbraw/zinc/87/96/84/568879684.db2.gz NZBGQLIWJLRJSE-QGZVFWFLSA-N 0 3 416.934 3.901 50 0 HHAAHN CC1CCN([C@@H](CNC(=O)NCc2ccc3c(c2)OCO3)c2cccs2)CC1 ZINC000030988832 568907711 /nfs/dbraw/zinc/90/77/11/568907711.db2.gz CIGJNKOPOOJNBJ-KRWDZBQOSA-N 0 3 401.532 3.749 50 0 HHAAHN COc1ccc(NC(=O)[C@@H]2C[C@@H](C(C)C)N[C@@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000229660439 568952916 /nfs/dbraw/zinc/95/29/16/568952916.db2.gz VOQLNPKKMQJCHV-SKPFHBQLSA-N 0 3 407.514 3.732 50 0 HHAAHN C=C1C(N2CCC(N3CCCCC3)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000015672079 568962428 /nfs/dbraw/zinc/96/24/28/568962428.db2.gz PXGNZHYCXNJDKG-UHFFFAOYSA-N 0 3 407.967 3.763 50 0 HHAAHN C[C@@H]1CCCCN1CCNC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000015676918 568965007 /nfs/dbraw/zinc/96/50/07/568965007.db2.gz FEJSQVBVXKVZHN-LJQANCHMSA-N 0 3 419.573 3.695 50 0 HHAAHN CCc1ccc([C@@H](CNC(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)N(C)C)cc1 ZINC000012797627 568976431 /nfs/dbraw/zinc/97/64/31/568976431.db2.gz RGAMGITUBPYRQM-FGZHOGPDSA-N 0 3 413.537 3.562 50 0 HHAAHN CCOC(=O)c1c(C)oc2nc(C)nc(NCCCN3CCc4ccccc4C3)c21 ZINC000015727425 568978303 /nfs/dbraw/zinc/97/83/03/568978303.db2.gz GWEDCOKVQZAQQN-UHFFFAOYSA-N 0 3 408.502 3.877 50 0 HHAAHN COc1cccc([C@@H](CN[C@H](C)C(=O)N2CCCC2)c2c[nH]c3ccccc32)c1OC ZINC000008323983 568990729 /nfs/dbraw/zinc/99/07/29/568990729.db2.gz HFXROQJCCNMMGU-DYESRHJHSA-N 0 3 421.541 3.918 50 0 HHAAHN CN(C)[C@H](CNC(=O)c1ccccc1NC(=O)Cc1ccccc1)c1ccccc1 ZINC000008428365 569002412 /nfs/dbraw/zinc/00/24/12/569002412.db2.gz LCOQUURZRMDKRW-HSZRJFAPSA-N 0 3 401.510 3.901 50 0 HHAAHN Cc1ccccc1CN1CCN(Cc2ccc(-n3cccn3)cc2C)C[C@H]1CCO ZINC000104450191 569008647 /nfs/dbraw/zinc/00/86/47/569008647.db2.gz DYMOQTRCRHWMGE-RUZDIDTESA-N 0 3 404.558 3.558 50 0 HHAAHN COc1ccccc1N1CCC(N2CCN(Cc3ccccc3C)[C@H](CCO)C2)CC1 ZINC000105625720 569009142 /nfs/dbraw/zinc/00/91/42/569009142.db2.gz UWPBSMRLJVODTO-XMMPIXPASA-N 0 3 423.601 3.541 50 0 HHAAHN CN1CCC(C(=O)Nc2ccc3[nH]ccc3c2)(N2C(=O)C[C@@H]2c2ccccc2)CC1 ZINC000575443677 569028568 /nfs/dbraw/zinc/02/85/68/569028568.db2.gz YBDXAJUBNWWRNY-OAQYLSRUSA-N 0 3 402.498 3.544 50 0 HHAAHN C[C@H](C(=O)NCCN1CCCC[C@H]1C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035454067 569037874 /nfs/dbraw/zinc/03/78/74/569037874.db2.gz FMYKLAAJFBPSHC-MOPGFXCFSA-N 0 3 424.589 3.647 50 0 HHAAHN O=C(CSc1nc2ccccc2s1)N1CCCSC[C@@H]1CN1CCCC1 ZINC000090609000 569042359 /nfs/dbraw/zinc/04/23/59/569042359.db2.gz WCOVWTRWBJSIDX-HNNXBMFYSA-N 0 3 407.630 3.818 50 0 HHAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 ZINC000239402692 569054316 /nfs/dbraw/zinc/05/43/16/569054316.db2.gz RAXYROGTNMRWJD-YPAWHYETSA-N 0 3 400.434 3.752 50 0 HHAAHN CN1CCN(CCCNC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)CC1 ZINC000089382694 569058858 /nfs/dbraw/zinc/05/88/58/569058858.db2.gz XHYQIYCALZRXHM-UHFFFAOYSA-N 0 3 420.479 3.816 50 0 HHAAHN COc1c[nH]c(CN2CC[C@]3(C2)CCCN(Cc2ccc(C(C)C)cc2)C3)cc1=O ZINC000426414408 569072876 /nfs/dbraw/zinc/07/28/76/569072876.db2.gz OIYMVVWZWKKFQO-RUZDIDTESA-N 0 3 409.574 3.995 50 0 HHAAHN CCn1cc(CN2CCC(C(=O)NC[C@H]3CCCO3)CC2)c2cc(Cl)ccc21 ZINC000064669726 569078922 /nfs/dbraw/zinc/07/89/22/569078922.db2.gz IWBOLJYGECJZPZ-LJQANCHMSA-N 0 3 403.954 3.822 50 0 HHAAHN Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NC3CCN(Cc4ccccc4)CC3)ccc12 ZINC000006660168 569084194 /nfs/dbraw/zinc/08/41/94/569084194.db2.gz CFZSQEVKGQDUCF-GOSISDBHSA-N 0 3 420.509 3.650 50 0 biogenic HHAAHN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(CCN(C)C)C(=O)C(C)(C)C)c1 ZINC000006707939 569095398 /nfs/dbraw/zinc/09/53/98/569095398.db2.gz JAOIYYFXRXBSQS-UHFFFAOYSA-N 0 3 404.599 3.674 50 0 HHAAHN C[C@H]1CCCCN1CCNC(=O)CC[C@@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 ZINC000065136772 569183518 /nfs/dbraw/zinc/18/35/18/569183518.db2.gz INFIXQIOBXSUDV-OALUTQOASA-N 0 3 418.557 3.840 50 0 HHAAHN O=C(NCc1ccccc1Cl)c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1 ZINC000065256164 569208159 /nfs/dbraw/zinc/20/81/59/569208159.db2.gz YSOREACJZDCMEQ-NRFANRHFSA-N 0 3 406.917 3.816 50 0 HHAAHN CN(C)CCNC(=O)c1cc(-c2ccccc2)nc2onc(-c3ccc(F)cc3)c21 ZINC000036618497 569210107 /nfs/dbraw/zinc/21/01/07/569210107.db2.gz OMEOSRKJECRSSR-UHFFFAOYSA-N 0 3 404.445 3.987 50 0 HHAAHN O=c1cc(CN2CCC(Cc3ccccc3)CC2)nc2ccc(Br)cn12 ZINC000007191859 569228221 /nfs/dbraw/zinc/22/82/21/569228221.db2.gz HXDDWZFPCSJSIB-UHFFFAOYSA-N 0 3 412.331 3.912 50 0 HHAAHN CN(C)CCNc1nc2nn(Cc3ccccc3)c(N)c2c(-c2cccc(Cl)c2)n1 ZINC000037359100 569277617 /nfs/dbraw/zinc/27/76/17/569277617.db2.gz XYIRMQSBRMEQNT-UHFFFAOYSA-N 0 3 421.936 3.751 50 0 HHAAHN Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000195529209 569311995 /nfs/dbraw/zinc/31/19/95/569311995.db2.gz GVFJKWVZCYIVRE-CABCVRRESA-N 0 3 402.564 3.829 50 0 HHAAHN O=C(Nc1ccccc1CN1CCOCC1)N(CCN1CCCCCC1)C1CCC1 ZINC000253424595 569368120 /nfs/dbraw/zinc/36/81/20/569368120.db2.gz IJDBQGQUAFJSOL-UHFFFAOYSA-N 0 3 414.594 3.781 50 0 HHAAHN Cc1csc(=O)n1CCC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000078879454 569421487 /nfs/dbraw/zinc/42/14/87/569421487.db2.gz JCJFGRQKMDGAEH-UHFFFAOYSA-N 0 3 413.587 3.656 50 0 HHAAHN Cc1c(C(=O)NCCN(C)C)oc2c1-c1nn(Cc3cccc(Cl)c3)cc1CC2 ZINC000008588554 571084506 /nfs/dbraw/zinc/08/45/06/571084506.db2.gz YGUSOHVCZLXHLF-UHFFFAOYSA-N 0 3 412.921 3.543 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)N(C)CCOc3ccccc3F)c(C)c2)CC1 ZINC000040103846 571164422 /nfs/dbraw/zinc/16/44/22/571164422.db2.gz BWAWCBSBMFHMMY-UHFFFAOYSA-N 0 3 414.525 3.819 50 0 HHAAHN CC(C(=O)NC1CCC(C)CC1)S(=O)(=O)Cc1csc(-c2cccs2)n1 ZINC000040106206 571166974 /nfs/dbraw/zinc/16/69/74/571166974.db2.gz GLDFBMUFJOLQAV-MOKVOYLWSA-N 0 3 412.602 3.870 50 0 HHAAHN CN(C)Cc1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000040121110 571176908 /nfs/dbraw/zinc/17/69/08/571176908.db2.gz LPOHMXWYBBIAEA-KRWDZBQOSA-N 0 3 419.447 3.754 50 0 HHAAHN CCNC(=O)[C@@H]1C[C@@H](c2ccc(F)c(C)c2)CN(Cc2cc(OC)cc(OC)c2)C1 ZINC000034716732 571316404 /nfs/dbraw/zinc/31/64/04/571316404.db2.gz OOEVUBROORSHKM-WOJBJXKFSA-N 0 3 414.521 3.893 50 0 HHAAHN COCCNC(=O)c1cc2oc(CN3CCC(C)CC3)cc2n1Cc1ccccc1 ZINC000034920069 571316663 /nfs/dbraw/zinc/31/66/63/571316663.db2.gz LRISGNKKWIKILU-UHFFFAOYSA-N 0 3 409.530 3.891 50 0 HHAAHN Cc1c(CN2CCC3(C[C@H]3C(=O)NCc3ccccc3C(F)(F)F)CC2)cnn1C ZINC000011782746 962188565 /nfs/dbraw/zinc/18/85/65/962188565.db2.gz WCPDWJYMPRBBQM-IBGZPJMESA-N 0 3 420.479 3.666 50 0 HHAAHN CCCCc1ncc(CN2CCC3(C[C@@H]3C(=O)NCCc3ccccc3OC)CC2)[nH]1 ZINC000011785234 962190516 /nfs/dbraw/zinc/19/05/16/962190516.db2.gz BGYBSVAVBCFXPZ-OAQYLSRUSA-N 0 3 424.589 3.722 50 0 HHAAHN O=C(NC[C@H]1CCCN(Cc2nc3c(s2)CCCC3)C1)c1n[nH]c2ccccc21 ZINC000011936223 962209937 /nfs/dbraw/zinc/20/99/37/962209937.db2.gz YHEORAJPLVHXGC-OAHLLOKOSA-N 0 3 409.559 3.540 50 0 HHAAHN O=C(Cc1ccccc1F)Nc1ccc2c(c1)CN(C(=O)CN1CCCCCC1)CC2 ZINC000014981105 962617202 /nfs/dbraw/zinc/61/72/02/962617202.db2.gz JLQMAOVMTYVMDJ-UHFFFAOYSA-N 0 3 423.532 3.768 50 0 HHAAHN Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCC(N2CCNC(=O)CC2)CC1 ZINC000019143629 963350065 /nfs/dbraw/zinc/35/00/65/963350065.db2.gz RHWWWMSXHHTVFK-UHFFFAOYSA-N 0 3 418.541 3.590 50 0 HHAAHN OCC[C@H]1CN(Cc2ccc3cccc(F)c3n2)CCN1CCCc1ccccc1 ZINC000020998362 963410975 /nfs/dbraw/zinc/41/09/75/963410975.db2.gz XPRKJELSUPIVKB-QHCPKHFHSA-N 0 3 407.533 3.875 50 0 HHAAHN Cc1c(CN2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cnn1C ZINC000023366593 963809024 /nfs/dbraw/zinc/80/90/24/963809024.db2.gz WBKHUELPAQTKBF-NRFANRHFSA-N 0 3 421.511 3.534 50 0 HHAAHN Cc1c2cc(C)cc(CNC(=O)C[C@@H]3CN(C)CCN3C)c2[nH]c1-c1ccccc1 ZINC000039412891 966492180 /nfs/dbraw/zinc/49/21/80/966492180.db2.gz CBPVSJYQNQCXGJ-OAQYLSRUSA-N 0 3 404.558 3.704 50 0 HHAAHN O=S(=O)(c1c[nH]cn1)N1CCC(N2CC3(CCCCC3)[C@@H]2c2ccccc2)CC1 ZINC000169791401 970483068 /nfs/dbraw/zinc/48/30/68/970483068.db2.gz DTZBZXKXBOWDGR-NRFANRHFSA-N 0 3 414.575 3.570 50 0 HHAAHN CCCCN(CC)CC(=O)N1CCCc2c3cc(OCCC)ccc3oc(=O)c21 ZINC000004917913 132294208 /nfs/dbraw/zinc/29/42/08/132294208.db2.gz ZATONTJSLCKIGG-UHFFFAOYSA-N 0 3 400.519 3.983 50 0 HHAAHN C[C@H](NCC(=O)N1CCN(c2ccccn2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000008749911 132333097 /nfs/dbraw/zinc/33/30/97/132333097.db2.gz VWQSFHGMLHSIPY-FQEVSTJZSA-N 0 3 400.526 3.748 50 0 HHAAHN CCN(CC)[C@H](CNC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1)c1ccccc1 ZINC000010080465 132345023 /nfs/dbraw/zinc/34/50/23/132345023.db2.gz BGOJSBZLCGWBAF-XMMPIXPASA-N 0 3 422.573 3.804 50 0 HHAAHN Cc1ccccc1N1CCN([C@@H]2CCC(=O)N(Cc3ccc(F)cc3F)CC2)CC1 ZINC000012217487 132356881 /nfs/dbraw/zinc/35/68/81/132356881.db2.gz MEGFKJRYQDCSBB-OAQYLSRUSA-N 0 3 413.512 3.977 50 0 HHAAHN CCOc1ccc(OCC)c(NC(=O)C2=C(C)C(=O)OC23CCN(C(C)C)CC3)c1 ZINC000020581729 521167641 /nfs/dbraw/zinc/16/76/41/521167641.db2.gz KBRJWAYCRYMFNQ-UHFFFAOYSA-N 0 3 416.518 3.539 50 0 biogenic HHAAHN CN1CCC(NC(=O)c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)CC1 ZINC000040355828 523776376 /nfs/dbraw/zinc/77/63/76/523776376.db2.gz DVUWJVFDSFGRIK-UHFFFAOYSA-N 0 3 413.330 3.526 50 0 HHAAHN CCc1ccc([C@H](CNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)N(C)C)cc1 ZINC000032733572 524048389 /nfs/dbraw/zinc/04/83/89/524048389.db2.gz TVRSHFRBXLIFSX-FQEVSTJZSA-N 0 3 403.567 3.615 50 0 HHAAHN Cc1ccccc1N1CCN([C@H]2CCCN(Cc3cccc(-n4cccn4)c3)C2)CC1 ZINC000020599076 525224847 /nfs/dbraw/zinc/22/48/47/525224847.db2.gz DRDDOIXICGKSIT-VWLOTQADSA-N 0 3 415.585 3.967 50 0 HHAAHN COc1ccc([C@H](CNC(=O)c2sc3ncc(C(C)=O)cc3c2C)N(C)C)cc1 ZINC000032680851 525359601 /nfs/dbraw/zinc/35/96/01/525359601.db2.gz SVDKYMPLNLZIAR-IBGZPJMESA-N 0 3 411.527 3.849 50 0 HHAAHN CSc1ccccc1CN1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1 ZINC000043959528 526158840 /nfs/dbraw/zinc/15/88/40/526158840.db2.gz UDZHVFWZUOWJBL-UHFFFAOYSA-N 0 3 422.591 3.879 50 0 HHAAHN Cc1noc2nc(-c3ccco3)cc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)c12 ZINC000032895289 526677597 /nfs/dbraw/zinc/67/75/97/526677597.db2.gz LTPBRFHFMIKMFQ-KRWDZBQOSA-N 0 3 402.454 3.796 50 0 HHAAHN O=c1oc2ccccc2n1CCN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000032778048 527499396 /nfs/dbraw/zinc/49/93/96/527499396.db2.gz REAAOBZKWXXEES-UHFFFAOYSA-N 0 3 419.447 3.821 50 0 HHAAHN COc1ccc(C(=O)NCCCCN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000004364549 536739502 /nfs/dbraw/zinc/73/95/02/536739502.db2.gz XTKPMRWHMDLGGQ-UHFFFAOYSA-N 0 3 401.938 3.681 50 0 HHAAHN O=C(C1CC1)N1C[C@H](CN2CCN(c3ccccc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000034698398 557381027 /nfs/dbraw/zinc/38/10/27/557381027.db2.gz CGNJPKMWWWMXMP-XUZZJYLKSA-N 0 3 407.533 3.600 50 0 HHAAHN COc1ccc(CCN(C)C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1OC ZINC000004177188 557525190 /nfs/dbraw/zinc/52/51/90/557525190.db2.gz KRUXPENPUGDVMQ-FQEVSTJZSA-N 0 3 414.521 3.756 50 0 HHAAHN COc1cc(CNCCCN2CCOCC2)c(Cl)cc1OCc1ccccc1 ZINC000004820455 557602478 /nfs/dbraw/zinc/60/24/78/557602478.db2.gz YOOIJJALNYDXQG-UHFFFAOYSA-N 0 3 404.938 3.740 50 0 HHAAHN CCOc1c(Cl)cc(CNCCSc2nnnn2-c2ccccc2)cc1OC ZINC000006767724 557720527 /nfs/dbraw/zinc/72/05/27/557720527.db2.gz FFAJMZJEFNCYOY-UHFFFAOYSA-N 0 3 419.938 3.605 50 0 HHAAHN COCc1ccc(CN2CCC[C@H](CCC(=O)NCc3cccc(OC)c3)C2)o1 ZINC000011816815 558280065 /nfs/dbraw/zinc/28/00/65/558280065.db2.gz RFGKIWZZLKJMGW-GOSISDBHSA-N 0 3 400.519 3.743 50 0 HHAAHN Clc1cccc(N2CCN([C@@H]3CCCN(Cc4cccc5c4OCO5)C3)CC2)c1 ZINC000019789879 558282327 /nfs/dbraw/zinc/28/23/27/558282327.db2.gz YQTGHPBCPGRIDD-OAQYLSRUSA-N 0 3 413.949 3.855 50 0 HHAAHN COc1ccccc1-c1cc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3F)C2)n[nH]1 ZINC000011820021 558283421 /nfs/dbraw/zinc/28/34/21/558283421.db2.gz TYBUGCYZPSUXQW-SFHVURJKSA-N 0 3 422.504 3.961 50 0 HHAAHN COc1ccc2cc(CN(C)CCn3cccn3)c(=O)n(Cc3ccccc3F)c2c1 ZINC000011839422 558285965 /nfs/dbraw/zinc/28/59/65/558285965.db2.gz CHPOAZKCQASCTB-UHFFFAOYSA-N 0 3 420.488 3.526 50 0 HHAAHN CCOc1cc(CN2CCC3(CC[C@@H](CNC(=O)c4ccccc4)O3)CC2)ccc1O ZINC000011839556 558286215 /nfs/dbraw/zinc/28/62/15/558286215.db2.gz FGVRGRQLQIVSIV-NRFANRHFSA-N 0 3 424.541 3.735 50 0 HHAAHN O=S(=O)(Cc1ccccc1)NC[C@@H]1CCCN(Cc2cccc3cnccc32)C1 ZINC000011874104 558291697 /nfs/dbraw/zinc/29/16/97/558291697.db2.gz KDKXTZWGVDGZEI-FQEVSTJZSA-N 0 3 409.555 3.566 50 0 HHAAHN CN(C[C@@H]1CCCCN1C)C(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1 ZINC000011874515 558292312 /nfs/dbraw/zinc/29/23/12/558292312.db2.gz FYSREIDJKNPDEC-KRWDZBQOSA-N 0 3 424.467 3.555 50 0 HHAAHN COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3cccc(C)n3)C2)c(OC)c1 ZINC000011938461 558301794 /nfs/dbraw/zinc/30/17/94/558301794.db2.gz BPDUEVDUVPMVPE-LJQANCHMSA-N 0 3 411.546 3.716 50 0 HHAAHN Cc1nn(C)cc1CN1CCC2(C[C@H]2C(=O)NCC2(c3ccccc3)CCCC2)CC1 ZINC000011982411 558306177 /nfs/dbraw/zinc/30/61/77/558306177.db2.gz WEULZRMPVXCXHO-QHCPKHFHSA-N 0 3 420.601 3.959 50 0 HHAAHN CN(C(=O)c1cnn(-c2ccccc2)c1)[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000011999786 558308136 /nfs/dbraw/zinc/30/81/36/558308136.db2.gz OETAEOSXABOKHQ-QHCPKHFHSA-N 0 3 400.526 3.576 50 0 HHAAHN CCc1ccccc1NC(=O)CC1C(=O)N(CCCOC)c2nc3ccccc3n21 ZINC000020103435 558332547 /nfs/dbraw/zinc/33/25/47/558332547.db2.gz BYXQCVJEEXISNE-FQEVSTJZSA-N 0 3 406.486 3.552 50 0 HHAAHN Cc1cc(C)n(-c2cccc(CN3CCN(CCc4ccccc4)[C@@H](CCO)C3)c2)n1 ZINC000020202480 558346078 /nfs/dbraw/zinc/34/60/78/558346078.db2.gz XYZFJEYWQBSSJM-SANMLTNESA-N 0 3 418.585 3.600 50 0 HHAAHN CCOC[C@@H](O)CNCc1cn(-c2ccc(OC)cc2)nc1-c1ccccc1Cl ZINC000012298996 558368982 /nfs/dbraw/zinc/36/89/82/558368982.db2.gz SRQMMUGAEAQKBM-SFHVURJKSA-N 0 3 415.921 3.688 50 0 HHAAHN COc1ccccc1OCC(=O)NC[C@@H]1CCCN(Cc2ccc(SC)cc2)C1 ZINC000012386856 558395594 /nfs/dbraw/zinc/39/55/94/558395594.db2.gz XCJHJXYYRYMSOU-IBGZPJMESA-N 0 3 414.571 3.824 50 0 HHAAHN CCOC(=O)[C@@]1(CCOC)CCCN(Cc2cccn2-c2ccc(Cl)cn2)C1 ZINC000012475929 558422816 /nfs/dbraw/zinc/42/28/16/558422816.db2.gz XISGKDPRTZVVOW-OAQYLSRUSA-N 0 3 405.926 3.708 50 0 HHAAHN COc1ccc(CC(=O)N(C)C[C@H]2CCCN(CCc3ccccc3OC)C2)cc1 ZINC000012586166 558434105 /nfs/dbraw/zinc/43/41/05/558434105.db2.gz JYPOOHGBVRPMHO-OAQYLSRUSA-N 0 3 410.558 3.659 50 0 HHAAHN O=C(NC[C@@H]1CCCN(Cc2ccc3nonc3c2)C1)c1cccc(C(F)(F)F)c1 ZINC000012594510 558437249 /nfs/dbraw/zinc/43/72/49/558437249.db2.gz YUXXKZDJCVKSPZ-HNNXBMFYSA-N 0 3 418.419 3.884 50 0 HHAAHN Cc1nn(C)c(C)c1CCC(=O)N(C)CC1CCN(CCc2ccc(F)cc2)CC1 ZINC000012597585 558438479 /nfs/dbraw/zinc/43/84/79/558438479.db2.gz OMSDSVRHAZNODD-UHFFFAOYSA-N 0 3 414.569 3.522 50 0 HHAAHN COc1cccc(C(=O)NC[C@@H]2CCCN(Cc3cccc4cccnc43)C2)c1OC ZINC000012701730 558448045 /nfs/dbraw/zinc/44/80/45/558448045.db2.gz VUEKUBAVGIHJPC-SFHVURJKSA-N 0 3 419.525 3.894 50 0 HHAAHN Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)cc1C ZINC000021795165 558449419 /nfs/dbraw/zinc/44/94/19/558449419.db2.gz DHEFZIAEBVOODF-UHFFFAOYSA-N 0 3 408.550 3.746 50 0 HHAAHN COC(=O)CCCC(=O)N1CC[C@]2(C1)CCCN(Cc1ccc(C(C)C)cc1)C2 ZINC000012713149 558453716 /nfs/dbraw/zinc/45/37/16/558453716.db2.gz AZVZRLKEIYAMKM-XMMPIXPASA-N 0 3 400.563 3.968 50 0 HHAAHN CCc1ccccc1NC(=O)CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21 ZINC000023382212 558555754 /nfs/dbraw/zinc/55/57/54/558555754.db2.gz NIWLIVVGVCOYPG-DYESRHJHSA-N 0 3 418.497 3.694 50 0 HHAAHN O=C1C[C@@H](NCC23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccc(Br)cc1 ZINC000004452361 558588585 /nfs/dbraw/zinc/58/85/85/558588585.db2.gz VYHPNWLBYVEQIH-YXSDIZSPSA-N 0 3 417.347 3.887 50 0 HHAAHN CCN1CCN(C(=O)[C@H](C)NC[C@@H](c2cccs2)c2c[nH]c3ccccc32)CC1 ZINC000024258849 558593295 /nfs/dbraw/zinc/59/32/95/558593295.db2.gz RGXHXEQOMFBAJA-FXAWDEMLSA-N 0 3 410.587 3.504 50 0 HHAAHN Cc1nn(C)c2nc(C(C)C)cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c12 ZINC000025432654 558640824 /nfs/dbraw/zinc/64/08/24/558640824.db2.gz ULXDOUMDDIWNFS-UHFFFAOYSA-N 0 3 405.546 3.795 50 0 HHAAHN CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccc(C)s1)CC2 ZINC000014749742 558670447 /nfs/dbraw/zinc/67/04/47/558670447.db2.gz ZLFOZRKQWMLELS-UHFFFAOYSA-N 0 3 423.582 3.843 50 0 HHAAHN CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H](NCc1ccccc1Cl)CC2 ZINC000014750342 558670666 /nfs/dbraw/zinc/67/06/66/558670666.db2.gz JFMQNFQHOLLNKH-MRXNPFEDSA-N 0 3 412.921 3.586 50 0 HHAAHN CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](N(C)Cc1cccs1)C2 ZINC000014751274 558670848 /nfs/dbraw/zinc/67/08/48/558670848.db2.gz ACUFXTKWODORDE-QGZVFWFLSA-N 0 3 400.592 3.970 50 0 HHAAHN COc1ccc(CN2CCC[C@@H]3CN(C(=O)Cc4ccccc4)CC[C@@H]32)cc1OC ZINC000014988510 558693594 /nfs/dbraw/zinc/69/35/94/558693594.db2.gz WAMMFDZHYNKXNX-YADHBBJMSA-N 0 3 408.542 3.759 50 0 HHAAHN CCN1CCN(C2(CNC(=O)[C@@H](C)Oc3cccc(C)c3C)CCCCC2)CC1 ZINC000028403195 558699981 /nfs/dbraw/zinc/69/99/81/558699981.db2.gz HYAFUYXIQGJLEC-OAQYLSRUSA-N 0 3 401.595 3.527 50 0 HHAAHN O[C@@H](COc1cccc(CNCc2cccs2)c1)CN1CCc2ccccc2C1 ZINC000015065010 558707725 /nfs/dbraw/zinc/70/77/25/558707725.db2.gz ZXVDSILFEFGMLR-JOCHJYFZSA-N 0 3 408.567 3.836 50 0 HHAAHN Cc1cccn2c(CN(C)C3CCOCC3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000015067357 558710187 /nfs/dbraw/zinc/71/01/87/558710187.db2.gz XNFDVHOLOLMVHF-UHFFFAOYSA-N 0 3 420.557 3.568 50 0 HHAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)c1cccs1 ZINC000015068384 558710965 /nfs/dbraw/zinc/71/09/65/558710965.db2.gz ATSUDEWQRRXDGW-UHFFFAOYSA-N 0 3 402.560 3.758 50 0 HHAAHN O=c1c2c(ncn1Cc1ccc(F)cc1)sc1c2CC[C@@H](NCc2cccnc2)C1 ZINC000015071878 558713255 /nfs/dbraw/zinc/71/32/55/558713255.db2.gz DKROEBIGFLEIDZ-GOSISDBHSA-N 0 3 420.513 3.688 50 0 HHAAHN COc1cccc2cc(C(=O)NCc3ccccc3CN3CCCCC3)c(=O)oc21 ZINC000030551662 558732645 /nfs/dbraw/zinc/73/26/45/558732645.db2.gz AYCHLEFKNPOIDE-UHFFFAOYSA-N 0 3 406.482 3.718 50 0 HHAAHN Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)c(C)c1 ZINC000033318541 558766383 /nfs/dbraw/zinc/76/63/83/558766383.db2.gz KIBVWNUSDLAPNL-UHFFFAOYSA-N 0 3 408.550 3.746 50 0 HHAAHN CC(C)[C@H](NCC(=O)NCCc1c[nH]c2ccccc12)c1ccc2c(c1)OCCCO2 ZINC000016695780 558801183 /nfs/dbraw/zinc/80/11/83/558801183.db2.gz GMSYIZQXQFZONY-VWLOTQADSA-N 0 3 421.541 3.975 50 0 HHAAHN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(O)c1)N(CCCN(C)C)C3=O ZINC000016741924 558803817 /nfs/dbraw/zinc/80/38/17/558803817.db2.gz YRKBBNSIMMLVSP-NRFANRHFSA-N 0 3 406.482 3.612 50 0 HHAAHN CCN1CCC[C@@H]1CNc1ccc(C(=O)N(C)Cc2ccc3ccccc3n2)cn1 ZINC000019228975 558853218 /nfs/dbraw/zinc/85/32/18/558853218.db2.gz HPCGLZDVDKIVEF-OAQYLSRUSA-N 0 3 403.530 3.798 50 0 HHAAHN CCOc1ccc2nc(N3CCCN(Cc4c(C)nn(CC)c4C)CC3)nc(C)c2c1 ZINC000055575371 558882863 /nfs/dbraw/zinc/88/28/63/558882863.db2.gz UNHULIQHZZDHLX-UHFFFAOYSA-N 0 3 422.577 3.882 50 0 HHAAHN CCOC(=O)N1CCC(N(CCN(C)C)C(=S)Nc2cccc(Cl)c2)CC1 ZINC000004710312 558914277 /nfs/dbraw/zinc/91/42/77/558914277.db2.gz FBAQALQTPFBPAP-UHFFFAOYSA-N 0 3 412.987 3.521 50 0 HHAAHN CCN1CCN(CCCNC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)CC1 ZINC000059922948 558939929 /nfs/dbraw/zinc/93/99/29/558939929.db2.gz RWRJJAWNYXBUIF-AWEZNQCLSA-N 0 3 404.407 3.618 50 0 HHAAHN CCNc1cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc(C)n1 ZINC000065363255 558974189 /nfs/dbraw/zinc/97/41/89/558974189.db2.gz XTVUEPWFSWVCMT-UHFFFAOYSA-N 0 3 408.428 3.590 50 0 HHAAHN Cc1cccc(-c2nc3cc4c(cc3cc2CN2C[C@H](O)[C@@H](N(C)C)C2)CCC4)c1 ZINC000072425748 558978957 /nfs/dbraw/zinc/97/89/57/558978957.db2.gz KUHUXJJIBUIDIG-DQEYMECFSA-N 0 3 401.554 3.806 50 0 HHAAHN CN(C)[C@H](CNC(=O)c1ccccc1Br)c1cn(C)c2ccccc12 ZINC000023239955 559064754 /nfs/dbraw/zinc/06/47/54/559064754.db2.gz RSEAPDBJWONPIP-LJQANCHMSA-N 0 3 400.320 3.974 50 0 HHAAHN Cc1ccc(OCCN2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)cc1C ZINC000091586019 559072123 /nfs/dbraw/zinc/07/21/23/559072123.db2.gz RVNMIBWYICYPSE-JOCHJYFZSA-N 0 3 400.563 3.566 50 0 HHAAHN CCOC(=O)CCCN(CC(=O)N1CCS[C@H]1c1ccc(F)cc1)CC(C)C ZINC000005095567 559245103 /nfs/dbraw/zinc/24/51/03/559245103.db2.gz NKXVHSCBZRAWKS-NRFANRHFSA-N 0 3 410.555 3.701 50 0 HHAAHN CSc1nc(C)c(CCC(=O)N(CCCc2ccccc2)CCN(C)C)c(C)n1 ZINC000062581818 559273819 /nfs/dbraw/zinc/27/38/19/559273819.db2.gz IHLLDSHEHSYCPT-UHFFFAOYSA-N 0 3 414.619 3.771 50 0 HHAAHN O=C(CCN1CCCC1)Nc1cc2c(cc1C(=O)c1ccc(Cl)cc1)OCCO2 ZINC000080340176 560541882 /nfs/dbraw/zinc/54/18/82/560541882.db2.gz JKGNPLKOARPJNP-UHFFFAOYSA-N 0 3 414.889 3.767 50 0 HHAAHN Cc1cccc(Nc2nc(C(=O)NC3CCN(Cc4ccccc4)CC3)cs2)n1 ZINC000062022564 560567387 /nfs/dbraw/zinc/56/73/87/560567387.db2.gz RCIPCGAYAWBJFS-UHFFFAOYSA-N 0 3 407.543 3.985 50 0 HHAAHN CSCC[C@H]1C[C@H](C(=O)Nc2ccc(F)cc2)[C@]2(N1)C(=O)Nc1ccc(C)cc12 ZINC000005450787 560590089 /nfs/dbraw/zinc/59/00/89/560590089.db2.gz BHMHCUVALATMGV-CECAUBDESA-N 0 3 413.518 3.651 50 0 HHAAHN COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c1 ZINC000100932821 560763584 /nfs/dbraw/zinc/76/35/84/560763584.db2.gz XIRGTAFIESYEAK-VSKRKVRLSA-N 0 3 418.424 3.885 50 0 HHAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)c1 ZINC000102708795 560820769 /nfs/dbraw/zinc/82/07/69/560820769.db2.gz QFVMNMQOBFOZIG-YPAWHYETSA-N 0 3 400.434 3.752 50 0 HHAAHN COc1cccc(OC)c1C(=O)C1CC(=O)Nc2c1c(C)nn2-c1cccc(F)c1 ZINC000046057692 568426188 /nfs/dbraw/zinc/42/61/88/568426188.db2.gz JWNZEFQPRLQHTG-OAHLLOKOSA-N 0 3 409.417 3.646 50 0 HHAAHN FC(F)Oc1ccc(Br)cc1CNC[C@H]1COc2ccccc2O1 ZINC000025261834 568517050 /nfs/dbraw/zinc/51/70/50/568517050.db2.gz UZQQOPIFYSBTOK-ZDUSSCGKSA-N 0 3 400.219 3.980 50 0 HHAAHN C[C@@H]1CCCCN1c1cc(C(=O)Nc2cccc(CCN3CCN(C)CC3)c2)ccn1 ZINC000095457795 568618704 /nfs/dbraw/zinc/61/87/04/568618704.db2.gz YYJMSBNUBYZPMA-HXUWFJFHSA-N 0 3 421.589 3.503 50 0 HHAAHN O=C(COCc1cc(-c2ccc(F)cc2)on1)NCCCN1CCc2ccccc2C1 ZINC000020925799 568651326 /nfs/dbraw/zinc/65/13/26/568651326.db2.gz YKCLXVPKBGTPOJ-UHFFFAOYSA-N 0 3 423.488 3.562 50 0 HHAAHN CCOc1ccc(NC(=O)C2=C(C)C(=O)OC23CCN(Cc2ccccc2)CC3)cc1 ZINC000021868328 568755885 /nfs/dbraw/zinc/75/58/85/568755885.db2.gz BETAJGIGMNOEKS-UHFFFAOYSA-N 0 3 420.509 3.932 50 0 biogenic HHAAHN CC(C)C(=O)Nc1ccc2c(c1)nc(CCN1CCN(c3ccccc3)CC1)n2C ZINC000052670999 568775547 /nfs/dbraw/zinc/77/55/47/568775547.db2.gz ZZRKJQRKGZVTBD-UHFFFAOYSA-N 0 3 405.546 3.533 50 0 HHAAHN O=C(CN1CCCCCC1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057315396 568826699 /nfs/dbraw/zinc/82/66/99/568826699.db2.gz IDVQHFKAMOZZAE-UHFFFAOYSA-N 0 3 406.574 3.823 50 0 HHAAHN O=C(COc1ccc(Br)cc1F)NC1CCN(Cc2ccccc2)CC1 ZINC000005936490 568830376 /nfs/dbraw/zinc/83/03/76/568830376.db2.gz WGIJIQJCUJBCLB-UHFFFAOYSA-N 0 3 421.310 3.748 50 0 HHAAHN CCc1nc2ccccc2n1CC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000012548145 568851288 /nfs/dbraw/zinc/85/12/88/568851288.db2.gz XWZSIHZZWZEYLB-QFIPXVFZSA-N 0 3 406.530 3.561 50 0 HHAAHN COc1cc(C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCCC2)cc(OC)c1OC ZINC000003261412 568869177 /nfs/dbraw/zinc/86/91/77/568869177.db2.gz VTHDVDAJZUUHBN-IFXJQAMLSA-N 0 3 404.532 3.729 50 0 HHAAHN CC1(C)C[C@@H](C(=O)NC[C@H]2CCC3(CCN(Cc4ccc(F)cc4)CC3)O2)CCO1 ZINC000299770198 568874103 /nfs/dbraw/zinc/87/41/03/568874103.db2.gz QFJSKZJYZRUYPF-PZJWPPBQSA-N 0 3 418.553 3.661 50 0 HHAAHN NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)c2cc3c(s2)CCCCC3)C1 ZINC000058156778 568893396 /nfs/dbraw/zinc/89/33/96/568893396.db2.gz XUQSWQWGKBPUEY-SFHVURJKSA-N 0 3 411.571 3.967 50 0 HHAAHN CCc1ccc([C@@H](NCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C(C)C)cc1 ZINC000083823593 568917644 /nfs/dbraw/zinc/91/76/44/568917644.db2.gz FBHYLITXKCFZDP-NRFANRHFSA-N 0 3 406.523 3.717 50 0 HHAAHN COc1ccc(CCN(C)C(=O)C2CCN(Cc3ccc(C)o3)CC2)cc1OC ZINC000004616432 568928613 /nfs/dbraw/zinc/92/86/13/568928613.db2.gz MIWDTICLZYUWOS-UHFFFAOYSA-N 0 3 400.519 3.518 50 0 HHAAHN COc1cccc2cc(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)c(=O)oc21 ZINC000004102036 568942915 /nfs/dbraw/zinc/94/29/15/568942915.db2.gz JZDRUCGULJGQAD-UHFFFAOYSA-N 0 3 422.525 3.528 50 0 HHAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000007980105 568963475 /nfs/dbraw/zinc/96/34/75/568963475.db2.gz CRZVPCRSJHQBGR-HSZRJFAPSA-N 0 3 420.557 3.884 50 0 HHAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@@H]2C1=O ZINC000135936840 569053649 /nfs/dbraw/zinc/05/36/49/569053649.db2.gz MCEWVEMNJCRCNB-FDFHNCONSA-N 0 3 400.434 3.752 50 0 HHAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@H]3C2=O)c1 ZINC000239432881 569054362 /nfs/dbraw/zinc/05/43/62/569054362.db2.gz WTVQUSKAZVHUDT-YPAWHYETSA-N 0 3 418.424 3.885 50 0 HHAAHN COc1ccc([C@@H](CNCc2c(Cl)cccc2N(C)C)N2CCOCC2)cc1 ZINC000089326732 569058467 /nfs/dbraw/zinc/05/84/67/569058467.db2.gz ZAATXPJAGPAQNZ-JOCHJYFZSA-N 0 3 403.954 3.578 50 0 HHAAHN CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)CN[C@@H](C)c3ccccc3)cc21 ZINC000006732827 569103939 /nfs/dbraw/zinc/10/39/39/569103939.db2.gz UOVFGADLIZZKCT-LPHOPBHVSA-N 0 3 410.514 3.754 50 0 HHAAHN CC(C)C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1Cc2ccccc2C1=O ZINC000006874261 569162638 /nfs/dbraw/zinc/16/26/38/569162638.db2.gz GATQKLATUMHZNQ-DEOSSOPVSA-N 0 3 419.569 3.838 50 0 HHAAHN CCOc1c(Br)cc(C(=O)NCc2ccccc2CN(C)C)cc1OC ZINC000006992855 569196489 /nfs/dbraw/zinc/19/64/89/569196489.db2.gz MNYARSLGZGGSKW-UHFFFAOYSA-N 0 3 421.335 3.848 50 0 HHAAHN COc1ccc(NC(=O)c2cccc(N3CCN[C@@H](c4ccccc4)C3)n2)c(OC)c1 ZINC000065256292 569208368 /nfs/dbraw/zinc/20/83/68/569208368.db2.gz DOKDZILMYGRSAQ-OAQYLSRUSA-N 0 3 418.497 3.502 50 0 HHAAHN CCOc1ccccc1CNC(=O)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1 ZINC000065256384 569208396 /nfs/dbraw/zinc/20/83/96/569208396.db2.gz BKNDKVDDVJZZDY-QFIPXVFZSA-N 0 3 416.525 3.561 50 0 HHAAHN COc1cccc(-c2noc3nc(C)cc(C(=O)N[C@H](C)CN4CCCCC4)c32)c1 ZINC000036619285 569210622 /nfs/dbraw/zinc/21/06/22/569210622.db2.gz DECBSUBKDWRMOX-MRXNPFEDSA-N 0 3 408.502 3.811 50 0 HHAAHN O=C(NC[C@@H]1CCN(c2ccccc2)C1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000065503643 569232962 /nfs/dbraw/zinc/23/29/62/569232962.db2.gz FJNSNQCJKHTLOS-GOTSBHOMSA-N 0 3 406.574 3.724 50 0 HHAAHN Cc1cc2c(NCc3ccccc3CN3CCN(c4ccccc4)CC3)nccn2n1 ZINC000170598826 569242565 /nfs/dbraw/zinc/24/25/65/569242565.db2.gz CZQYPBZRDWTSIS-UHFFFAOYSA-N 0 3 412.541 3.972 50 0 HHAAHN COc1cc(NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(F)(F)F)cc(OC)c1 ZINC000170614517 569247154 /nfs/dbraw/zinc/24/71/54/569247154.db2.gz NYQFFWVOAXLMOK-MOPGFXCFSA-N 0 3 408.420 3.953 50 0 HHAAHN COc1ccc([C@H](c2c(O)cc(C)n(Cc3cccnc3)c2=O)N2CCCCC2)cc1 ZINC000016993778 569270799 /nfs/dbraw/zinc/27/07/99/569270799.db2.gz WCETXMJAOOJAOQ-XMMPIXPASA-N 0 3 419.525 3.890 50 0 HHAAHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000253369602 569364676 /nfs/dbraw/zinc/36/46/76/569364676.db2.gz FLBPPPZJVZBPKC-XZOQPEGZSA-N 0 3 423.557 3.691 50 0 HHAAHN COc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1Br ZINC000010450822 569396152 /nfs/dbraw/zinc/39/61/52/569396152.db2.gz QMSHYDDBTJOJFX-UHFFFAOYSA-N 0 3 403.320 3.852 50 0 HHAAHN CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN(C)C1CCCCC1 ZINC000002412625 569397078 /nfs/dbraw/zinc/39/70/78/569397078.db2.gz ULMAUOJELGBLEH-UHFFFAOYSA-N 0 3 417.506 3.565 50 0 HHAAHN CCOc1c(F)cccc1C(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000079026009 569424807 /nfs/dbraw/zinc/42/48/07/569424807.db2.gz YLJJQYSXDGBWDT-JOCHJYFZSA-N 0 3 414.521 3.742 50 0 HHAAHN COc1ccc(-c2cc3c(N4CCN(C5CCCCC5)CC4)nccn3n2)cc1OC ZINC000067285315 571064095 /nfs/dbraw/zinc/06/40/95/571064095.db2.gz WAZLTIWOPDNVBD-UHFFFAOYSA-N 0 3 421.545 3.868 50 0 HHAAHN CC(C)(C)OC(=O)N1CCC(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000040012822 571138377 /nfs/dbraw/zinc/13/83/77/571138377.db2.gz WCIOAKZLHYWJQW-FQEVSTJZSA-N 0 3 401.551 3.587 50 0 HHAAHN CCN1CCN(Cc2ccccc2CNC(=O)c2cc(F)c(F)cc2Cl)CC1 ZINC000040089828 571159775 /nfs/dbraw/zinc/15/97/75/571159775.db2.gz HDUWGCKZUNMLHZ-UHFFFAOYSA-N 0 3 407.892 3.686 50 0 HHAAHN CN(C)Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000040121109 571176899 /nfs/dbraw/zinc/17/68/99/571176899.db2.gz LPOHMXWYBBIAEA-QGZVFWFLSA-N 0 3 419.447 3.754 50 0 HHAAHN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000040149733 571196873 /nfs/dbraw/zinc/19/68/73/571196873.db2.gz JNIHROQNJVAASO-UHFFFAOYSA-N 0 3 408.926 3.691 50 0 HHAAHN COc1cccc(N2CCN(C3CCN(C(=O)c4cc5ccccc5o4)CC3)CC2)c1 ZINC000244998698 571211992 /nfs/dbraw/zinc/21/19/92/571211992.db2.gz KQBPYADWSVIEFM-UHFFFAOYSA-N 0 3 419.525 3.868 50 0 HHAAHN COc1ccc(NC(=O)[C@@H]2C[C@H](C(C)C)N[C@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000009043094 571215180 /nfs/dbraw/zinc/21/51/80/571215180.db2.gz VOQLNPKKMQJCHV-DCLXLUIPSA-N 0 3 407.514 3.732 50 0 HHAAHN COCCN(C[C@@H]1CN(Cc2ccccn2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000245328881 571225445 /nfs/dbraw/zinc/22/54/45/571225445.db2.gz QNFNKYWEFPREMI-REWPJTCUSA-N 0 3 413.537 3.567 50 0 HHAAHN CC(C)[C@@H]1C[C@H](C(=O)Nc2ccc(F)cc2)[C@]2(N1)C(=O)Nc1ccc(Cl)cc12 ZINC000071335141 571292932 /nfs/dbraw/zinc/29/29/32/571292932.db2.gz DNLKODGNLMHUES-MMOPVJDHSA-N 0 3 401.869 3.899 50 0 HHAAHN O=C(NCc1ccc(F)cc1)C(=O)NC[C@H](c1cccc2ccccc21)N1CCCC1 ZINC000010333942 571300593 /nfs/dbraw/zinc/30/05/93/571300593.db2.gz URVVAWJPHQMTJX-HSZRJFAPSA-N 0 3 419.500 3.548 50 0 HHAAHN CN(C)[C@H](CNC(=O)C1(c2ccccc2)CCOCC1)c1cn(C)c2ccccc12 ZINC000077171665 571311804 /nfs/dbraw/zinc/31/18/04/571311804.db2.gz DQZNZIBZHRJMRE-HSZRJFAPSA-N 0 3 405.542 3.646 50 0 HHAAHN COc1ccccc1C(=O)N(CCN(C)C)Cc1cc2cccc(C)c2nc1N(C)C ZINC000012211771 962254950 /nfs/dbraw/zinc/25/49/50/962254950.db2.gz XGLKWGDUNCXGNN-UHFFFAOYSA-N 0 3 420.557 3.822 50 0 HHAAHN CCCn1c2ccccc2nc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)c1=O ZINC000033298514 966406465 /nfs/dbraw/zinc/40/64/65/966406465.db2.gz IWQVRUMNMSOIQB-UHFFFAOYSA-N 0 3 418.541 3.689 50 0 HHAAHN Cc1cnc(CNC2CCN(c3ccc(NC(=O)c4ccccc4F)cc3)CC2)cn1 ZINC000011980421 132352804 /nfs/dbraw/zinc/35/28/04/132352804.db2.gz KVSQTORXHYSCGX-UHFFFAOYSA-N 0 3 419.504 3.935 50 0 HHAAHN CCOc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCO)no2)cc1OCC ZINC000044018870 520812469 /nfs/dbraw/zinc/81/24/69/520812469.db2.gz NUIKTBLZSPQGCP-IBGZPJMESA-N 0 3 409.486 3.770 50 0 in-vitro HHAAHN CCN(CC)[C@@H](CNC(=O)CN1C(=S)N=NC1c1cccc(C)c1)c1ccccc1 ZINC000032902454 520831288 /nfs/dbraw/zinc/83/12/88/520831288.db2.gz SPCVVRGCNSONEW-FQEVSTJZSA-N 0 3 423.586 3.742 50 0 HHAAHN CN1CCC2(CC1)C[C@@H](NC(=O)COc1ccc3c(c1)CCC3)c1ccccc1O2 ZINC000032676318 523786577 /nfs/dbraw/zinc/78/65/77/523786577.db2.gz ZUMIIFIAQAXMKW-JOCHJYFZSA-N 0 3 406.526 3.659 50 0 HHAAHN Cc1cc(C)n(-c2ccccc2NC(=O)NC[C@@H](CN(C)C)[C@H](O)c2ccccc2)n1 ZINC000040104872 524495862 /nfs/dbraw/zinc/49/58/62/524495862.db2.gz XLOLJMYOTNIWER-NZQKXSOJSA-N 0 3 421.545 3.522 50 0 HHAAHN Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@H](CN(C)C)[C@H](O)c1ccccc1 ZINC000043494840 525062405 /nfs/dbraw/zinc/06/24/05/525062405.db2.gz UJROFVZGGBHNRR-NFBKMPQASA-N 0 3 410.562 3.628 50 0 HHAAHN Cc1ccccc1CN1CCC(NC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000045757124 525137257 /nfs/dbraw/zinc/13/72/57/525137257.db2.gz GGJNEUCKACSDBG-OAQYLSRUSA-N 0 3 406.574 3.785 50 0 HHAAHN Cc1ccccc1CN1CCC(NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000045757122 525137362 /nfs/dbraw/zinc/13/73/62/525137362.db2.gz GGJNEUCKACSDBG-NRFANRHFSA-N 0 3 406.574 3.785 50 0 HHAAHN COc1ccc([C@@H](CNC(=O)c2sc3ncc(C(C)=O)cc3c2C)N(C)C)cc1 ZINC000032680850 525187810 /nfs/dbraw/zinc/18/78/10/525187810.db2.gz SVDKYMPLNLZIAR-LJQANCHMSA-N 0 3 411.527 3.849 50 0 HHAAHN COc1ccc([C@H](CNc2ccc3nnc(C(F)(F)F)n3n2)N2CCCCC2)cc1 ZINC000032869498 525361496 /nfs/dbraw/zinc/36/14/96/525361496.db2.gz SFHZAPFRBAXOJC-INIZCTEOSA-N 0 3 420.439 3.791 50 0 HHAAHN CCN(CC)[C@@H](CNC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1)c1ccccc1 ZINC000010080460 535655315 /nfs/dbraw/zinc/65/53/15/535655315.db2.gz BGOJSBZLCGWBAF-DEOSSOPVSA-N 0 3 422.573 3.804 50 0 HHAAHN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(c2cc(C)nc(N)n2)C1 ZINC000012205297 536574322 /nfs/dbraw/zinc/57/43/22/536574322.db2.gz BWJPGUVGPKFKIA-CQSZACIVSA-N 0 3 403.914 3.665 50 0 HHAAHN NC(=O)c1ccc(CN2CCC3(C[C@H]3c3nnc(-c4cccc(F)c4)o3)CC2)cc1 ZINC000071890566 557317317 /nfs/dbraw/zinc/31/73/17/557317317.db2.gz IZPSFCHXANGACM-IBGZPJMESA-N 0 3 406.461 3.744 50 0 HHAAHN CCOC(=O)c1c(NC(=O)CNCCc2ccccc2)sc2c1CC(C)(C)OC2 ZINC000002270897 557333251 /nfs/dbraw/zinc/33/32/51/557333251.db2.gz ABRYYASXTMISDW-UHFFFAOYSA-N 0 3 416.543 3.547 50 0 HHAAHN O=C(C1CCN(Cc2ccccc2Cl)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000004725546 557587203 /nfs/dbraw/zinc/58/72/03/557587203.db2.gz DWDRIOMWIJNAQV-UHFFFAOYSA-N 0 3 411.977 3.896 50 0 HHAAHN COc1cc(CN2CCC[C@H](C(=O)N3CCc4ccccc4C3)C2)cc(OC)c1OC ZINC000004746284 557591960 /nfs/dbraw/zinc/59/19/60/557591960.db2.gz ZKIVYOQDMOYHQB-NRFANRHFSA-N 0 3 424.541 3.509 50 0 HHAAHN COc1cc(CNC[C@@H]2CCCO2)cc(Br)c1OCc1cccnc1 ZINC000004942942 557615400 /nfs/dbraw/zinc/61/54/00/557615400.db2.gz CIQWPSUGWIIBGU-INIZCTEOSA-N 0 3 407.308 3.700 50 0 HHAAHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(Br)cc1Cl ZINC000097577437 557827084 /nfs/dbraw/zinc/82/70/84/557827084.db2.gz FJZPCULLZYQBMY-ZDUSSCGKSA-N 0 3 404.736 3.677 50 0 HHAAHN CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1cc(C)c(C)[nH]c1=O ZINC000011719713 558271936 /nfs/dbraw/zinc/27/19/36/558271936.db2.gz RUNLLPALOFGWTQ-FQEVSTJZSA-N 0 3 413.537 3.548 50 0 HHAAHN O=C(NC[C@@H]1CCC2(CCN(Cc3ccccn3)CC2)O1)c1ccc(F)cc1Cl ZINC000011786662 558276242 /nfs/dbraw/zinc/27/62/42/558276242.db2.gz VSGURLKEPPHHPI-SFHVURJKSA-N 0 3 417.912 3.818 50 0 HHAAHN CN(C(=O)CC1=CSC2=NCCCN12)[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000011844150 558288976 /nfs/dbraw/zinc/28/89/76/558288976.db2.gz OYZKSWRYDBSIRJ-HXUWFJFHSA-N 0 3 412.603 3.582 50 0 HHAAHN O=C(NC[C@@H]1CCC2(CCN(Cc3ccncc3)CC2)O1)c1ccc2[nH]ccc2c1 ZINC000011912349 558297158 /nfs/dbraw/zinc/29/71/58/558297158.db2.gz VLIRSOVTOXLEPG-NRFANRHFSA-N 0 3 404.514 3.507 50 0 HHAAHN Cc1c[nH]c(CNC(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)n1 ZINC000011935206 558299241 /nfs/dbraw/zinc/29/92/41/558299241.db2.gz HIRXOQSTLGSXER-UHFFFAOYSA-N 0 3 418.541 3.734 50 0 HHAAHN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CN(C)CCC1CCOCC1 ZINC000011935493 558299429 /nfs/dbraw/zinc/29/94/29/558299429.db2.gz UCBACVRKBRFSDX-UHFFFAOYSA-N 0 3 412.578 3.907 50 0 HHAAHN O=C(c1[nH]nc2ccccc21)N1CC[C@]2(C1)CCCN(Cc1cccc(F)c1F)C2 ZINC000011935483 558299535 /nfs/dbraw/zinc/29/95/35/558299535.db2.gz IUXJRQBVXSUARW-HSZRJFAPSA-N 0 3 410.468 3.969 50 0 HHAAHN COc1ccc(-c2nn(-c3ccccc3)cc2CNCCn2ccnc2C)c(F)c1 ZINC000011936281 558300251 /nfs/dbraw/zinc/30/02/51/558300251.db2.gz RPDWHRDQGVEFEB-UHFFFAOYSA-N 0 3 405.477 3.982 50 0 HHAAHN Cc1cc(C)cc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccccc4C)n3CC2)c1 ZINC000011980672 558306189 /nfs/dbraw/zinc/30/61/89/558306189.db2.gz JUTGIKDGHRYUHP-HXUWFJFHSA-N 0 3 417.557 3.753 50 0 HHAAHN Cc1nc(C(=O)NC[C@H]2CCC3(CCN(Cc4ccccc4F)CC3)O2)cs1 ZINC000011997287 558307272 /nfs/dbraw/zinc/30/72/72/558307272.db2.gz IQZXBHZNNPIATC-QGZVFWFLSA-N 0 3 403.523 3.534 50 0 HHAAHN COc1ccccc1/C=C/CN1CCC2(C[C@H]2C(=O)N(C)Cc2cscn2)CC1 ZINC000012042605 558313266 /nfs/dbraw/zinc/31/32/66/558313266.db2.gz BIFOXPDCNPMZHT-CYXJOQHWSA-N 0 3 411.571 3.926 50 0 HHAAHN CCCn1ncc([C@@H]2C[C@H]3CN(Cc4cccc(OC)c4)C(=O)[C@]34CCCN24)c1C ZINC000012072420 558317772 /nfs/dbraw/zinc/31/77/72/558317772.db2.gz XWZXRTMZEXXLRK-APTRMMRNSA-N 0 3 408.546 3.548 50 0 HHAAHN O=c1c(CN2CCC[C@H]2CO)cc2ccc(F)cc2n1CCSc1ccccc1 ZINC000012125502 558331375 /nfs/dbraw/zinc/33/13/75/558331375.db2.gz BMNPTUQROQOBNP-FQEVSTJZSA-N 0 3 412.530 3.890 50 0 HHAAHN COc1ccc(-c2n[nH]cc2CN2CCCN(Cc3cccs3)CC2)c(F)c1 ZINC000020149178 558340123 /nfs/dbraw/zinc/34/01/23/558340123.db2.gz YPJAFMPBLWYVQB-UHFFFAOYSA-N 0 3 400.523 3.994 50 0 HHAAHN O=C1CC[C@@H](CCNCc2cc3c(cc2Cl)OCO3)N1Cc1cccc(F)c1 ZINC000012328952 558383831 /nfs/dbraw/zinc/38/38/31/558383831.db2.gz RDMHMDLRWCPLAB-KRWDZBQOSA-N 0 3 404.869 3.879 50 0 HHAAHN O=S(=O)(Cc1ccccc1)NC[C@@H]1CCCN(Cc2cccc3cccnc32)C1 ZINC000012429892 558404761 /nfs/dbraw/zinc/40/47/61/558404761.db2.gz RIYDVGMUGZCAFR-FQEVSTJZSA-N 0 3 409.555 3.566 50 0 HHAAHN COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(C/C=C/c3ccc(F)cc3)C2)c1 ZINC000012439064 558410516 /nfs/dbraw/zinc/41/05/16/558410516.db2.gz LUABUYQQMQJSSN-MEDHRJKHSA-N 0 3 412.505 3.998 50 0 HHAAHN COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3cccc(O)c3)C2)c(OC)c1 ZINC000012463866 558419993 /nfs/dbraw/zinc/41/99/93/558419993.db2.gz OOKIZARCQIWRJY-SFHVURJKSA-N 0 3 412.530 3.718 50 0 HHAAHN COc1cc(CN2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cc(OC)c1 ZINC000020906228 558420937 /nfs/dbraw/zinc/42/09/37/558420937.db2.gz XOBPOBDLJMITKE-FQEVSTJZSA-N 0 3 413.537 3.630 50 0 HHAAHN CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2cccc3nonc32)CC1 ZINC000012571145 558429006 /nfs/dbraw/zinc/42/90/06/558429006.db2.gz XATFIYYJCVLRFH-UHFFFAOYSA-N 0 3 409.486 3.837 50 0 HHAAHN O=C(NC[C@H]1CCCN(Cc2ccc3nonc3c2)C1)c1cccc(C(F)(F)F)c1 ZINC000012594516 558437194 /nfs/dbraw/zinc/43/71/94/558437194.db2.gz YUXXKZDJCVKSPZ-OAHLLOKOSA-N 0 3 418.419 3.884 50 0 HHAAHN CN1CCN(CC[C@@H]2CCCCN2C(=S)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000022935459 558526503 /nfs/dbraw/zinc/52/65/03/558526503.db2.gz ZXLZRVCDAJTTRE-SFHVURJKSA-N 0 3 414.541 3.894 50 0 HHAAHN CCOC(=O)N1CCC(N2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)CC1 ZINC000013595467 558546822 /nfs/dbraw/zinc/54/68/22/558546822.db2.gz GWXQBVBGOBNEOW-IBGZPJMESA-N 0 3 402.535 3.989 50 0 HHAAHN C(=C/c1ccccc1)\CN1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023374655 558554213 /nfs/dbraw/zinc/55/42/13/558554213.db2.gz JIGSNCQNCGVDRW-CZDPRXMLSA-N 0 3 419.569 3.711 50 0 HHAAHN CCc1ccccc1NC(=O)CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21 ZINC000023382209 558555695 /nfs/dbraw/zinc/55/56/95/558555695.db2.gz NIWLIVVGVCOYPG-UWJYYQICSA-N 0 3 418.497 3.694 50 0 HHAAHN Cn1nnnc1SCCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000013945470 558606976 /nfs/dbraw/zinc/60/69/76/558606976.db2.gz IXJCLNGFIXZQKV-UHFFFAOYSA-N 0 3 424.357 3.978 50 0 HHAAHN C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000010969246 558620351 /nfs/dbraw/zinc/62/03/51/558620351.db2.gz DOTRFBSLADDJJL-QGZVFWFLSA-N 0 3 400.544 3.567 50 0 HHAAHN CCc1ccc([C@@H](NCC(=O)NCC(=O)Nc2cc(C)ccc2OC)C(C)C)cc1 ZINC000014167830 558626983 /nfs/dbraw/zinc/62/69/83/558626983.db2.gz NUIVMNOPKNFGCR-DEOSSOPVSA-N 0 3 411.546 3.608 50 0 HHAAHN CSc1ccc(N2C[C@H](C(=O)NC[C@H](c3ccccc3)N3CCCC3)CC2=O)cc1 ZINC000025287790 558636727 /nfs/dbraw/zinc/63/67/27/558636727.db2.gz NBIGYDWDHMZCJE-DENIHFKCSA-N 0 3 423.582 3.715 50 0 HHAAHN CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1ccccc1Cl)C2 ZINC000014740950 558666880 /nfs/dbraw/zinc/66/68/80/558666880.db2.gz WVHGKABSSPSKBX-QGZVFWFLSA-N 0 3 400.954 3.830 50 0 HHAAHN CCc1ccc([C@@H](CNC(=O)c2ccc(OCc3noc(C)n3)cc2)N(C)C)cc1 ZINC000027597765 558677110 /nfs/dbraw/zinc/67/71/10/558677110.db2.gz REPKGFWHHISLCX-OAQYLSRUSA-N 0 3 408.502 3.552 50 0 HHAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)/C=C/c1ccco1 ZINC000014969245 558686865 /nfs/dbraw/zinc/68/68/65/558686865.db2.gz BVOGBQUZTUVJLX-SGWGQVFISA-N 0 3 413.537 3.734 50 0 HHAAHN O=c1c(CNCCn2ccnc2)cc2ccc(F)cc2n1Cc1ccccc1Cl ZINC000014982433 558692149 /nfs/dbraw/zinc/69/21/49/558692149.db2.gz ISPMLJFKURQDDE-UHFFFAOYSA-N 0 3 410.880 3.829 50 0 HHAAHN Cc1cc(CN[C@@H]2CCc3c(sc4ncn(CCc5ccccc5)c(=O)c34)C2)on1 ZINC000014998350 558696881 /nfs/dbraw/zinc/69/68/81/558696881.db2.gz GRVSHRHBDCZMCJ-QGZVFWFLSA-N 0 3 420.538 3.644 50 0 HHAAHN CCN1CCN(C2(CNC(=O)[C@@H](C)Oc3cc(C)cc(C)c3)CCCCC2)CC1 ZINC000028403139 558699991 /nfs/dbraw/zinc/69/99/91/558699991.db2.gz NCWOIKSLCQTSER-OAQYLSRUSA-N 0 3 401.595 3.527 50 0 HHAAHN CCOC(=O)N[C@H](CNCc1cccc(NC(=O)c2ccc(OC)cc2)c1)C1CC1 ZINC000072289905 558724341 /nfs/dbraw/zinc/72/43/41/558724341.db2.gz PZJHNJOQXNLSSH-OAQYLSRUSA-N 0 3 411.502 3.562 50 0 HHAAHN CCOc1ccc(Cl)cc1CNCCCSc1nnnn1-c1ccccc1 ZINC000016692350 558800216 /nfs/dbraw/zinc/80/02/16/558800216.db2.gz QISKBPRJJQHTFS-UHFFFAOYSA-N 0 3 403.939 3.986 50 0 HHAAHN COc1ccc(OCCN[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000016695402 558801031 /nfs/dbraw/zinc/80/10/31/558801031.db2.gz YKQDXDXZGHUCQR-LJQANCHMSA-N 0 3 404.510 3.958 50 0 HHAAHN CSc1ccc(C(=O)[C@@H]2CCCN(Cc3cn(CC(N)=O)c4ccccc34)C2)cc1 ZINC000019147128 558846791 /nfs/dbraw/zinc/84/67/91/558846791.db2.gz DDXUCNKGWNDEKK-GOSISDBHSA-N 0 3 421.566 3.943 50 0 HHAAHN Cc1ccccc1N1C(=O)[C@H](Oc2ccc(Cl)cc2)[C@H]1CNC[C@H]1CCCO1 ZINC000013660099 558851418 /nfs/dbraw/zinc/85/14/18/558851418.db2.gz FOFDCQHEZOTDFJ-HMXCVIKNSA-N 0 3 400.906 3.580 50 0 HHAAHN Cc1c(CN(C)Cc2c[nH]nc2-c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000055090102 558871957 /nfs/dbraw/zinc/87/19/57/558871957.db2.gz IADGHCZGELKRJR-UHFFFAOYSA-N 0 3 405.477 3.646 50 0 HHAAHN CN1CCN(CCCNC(=O)c2ccccc2C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000046388352 558891431 /nfs/dbraw/zinc/89/14/31/558891431.db2.gz KBXATALWVVWXFZ-FQEVSTJZSA-N 0 3 405.464 3.814 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)NCCO[C@H]3CCCC[C@@H]3C)cc2C)CC1 ZINC000058109339 558899360 /nfs/dbraw/zinc/89/93/60/558899360.db2.gz NJFJDDUSOHOYLO-AVRDEDQJSA-N 0 3 402.583 3.854 50 0 HHAAHN O=S(=O)(c1ccccc1F)N1CCC[C@H]1[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000058158609 558903855 /nfs/dbraw/zinc/90/38/55/558903855.db2.gz BFVNUDSALSSJKX-CTNGQTDRSA-N 0 3 402.535 3.891 50 0 HHAAHN CCOc1ccc(C)cc1S(=O)(=O)NCC1CCN(Cc2ccccc2)CC1 ZINC000023127653 559016032 /nfs/dbraw/zinc/01/60/32/559016032.db2.gz UGRRPQMCFKJKOR-UHFFFAOYSA-N 0 3 402.560 3.584 50 0 HHAAHN COc1ccc(-c2nc3cc(C)ccc3cc2CN2CCN(C)[C@@H](CCO)C2)cc1 ZINC000106991101 559164193 /nfs/dbraw/zinc/16/41/93/559164193.db2.gz BRYLWTLKSMIBHH-QFIPXVFZSA-N 0 3 405.542 3.717 50 0 HHAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000005035195 559233006 /nfs/dbraw/zinc/23/30/06/559233006.db2.gz PLEAKFUEZZZNQO-QHAWAJNXSA-N 0 3 404.397 3.582 50 0 HHAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccncc3)=NN12 ZINC000005093242 559244141 /nfs/dbraw/zinc/24/41/41/559244141.db2.gz RMKUEKOZFGENHR-GOSISDBHSA-N 0 3 413.319 3.810 50 0 HHAAHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000248112070 559263433 /nfs/dbraw/zinc/26/34/33/559263433.db2.gz RDWLWYOLVMITEH-UPJWGTAASA-N 0 3 407.399 3.537 50 0 HHAAHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000248115873 559264128 /nfs/dbraw/zinc/26/41/28/559264128.db2.gz SHTFPMVMGLVGSN-GUTXKFCHSA-N 0 3 419.360 3.614 50 0 HHAAHN O=C(CCC1CCN(C(=O)C2=CCCC2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000012002813 559270779 /nfs/dbraw/zinc/27/07/79/559270779.db2.gz VAXIVGWIPSMWAR-HSZRJFAPSA-N 0 3 409.574 3.506 50 0 HHAAHN CCc1cnc(C)nc1N1CC[C@]2(C1)CCCN(Cc1cccc(OC)c1OC)C2 ZINC000426435475 559271434 /nfs/dbraw/zinc/27/14/34/559271434.db2.gz ZBODEBHSYDVENZ-XMMPIXPASA-N 0 3 410.562 3.857 50 0 HHAAHN CCc1cnc(C)nc1N1CC[C@@]2(C1)CCCN(Cc1cccc(OC)c1OC)C2 ZINC000426435474 559271459 /nfs/dbraw/zinc/27/14/59/559271459.db2.gz ZBODEBHSYDVENZ-DEOSSOPVSA-N 0 3 410.562 3.857 50 0 HHAAHN CC(C)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)[C@]2(N1)C(=O)Nc1ccc(Cl)cc12 ZINC000061717637 559292544 /nfs/dbraw/zinc/29/25/44/559292544.db2.gz DNLKODGNLMHUES-CDXJDZJCSA-N 0 3 401.869 3.899 50 0 HHAAHN CCC[NH2+]CCc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000002008038 560185424 /nfs/dbraw/zinc/18/54/24/560185424.db2.gz JGGQWSXZZQPZTR-UHFFFAOYSA-N 0 3 402.438 3.928 50 0 in-vitro HHAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000101268074 560543651 /nfs/dbraw/zinc/54/36/51/560543651.db2.gz BBDZXTPMYXECLD-HSALFYBXSA-N 0 3 406.463 3.808 50 0 HHAAHN CCC[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)C2ON1c1ccccc1 ZINC000102724251 560821508 /nfs/dbraw/zinc/82/15/08/560821508.db2.gz QHTHISMPQZWDSL-KZNAEPCWSA-N 0 3 415.287 3.928 50 0 HHAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4F)[C@H]3C2=O)c1 ZINC000102764837 560825082 /nfs/dbraw/zinc/82/50/82/560825082.db2.gz VVZSTPFSPDKUIM-BHIFYINESA-N 0 3 418.424 3.885 50 0 HHAAHN O=C(CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 ZINC000019817513 560885534 /nfs/dbraw/zinc/88/55/34/560885534.db2.gz VCFVAUDWAKKUTQ-LPHOPBHVSA-N 0 3 424.888 3.785 50 0 HHAAHN CC(=O)N[C@@H](CC(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(Cl)cc1 ZINC000048325187 568438518 /nfs/dbraw/zinc/43/85/18/568438518.db2.gz FUIFTEFFDDYBPW-VXKWHMMOSA-N 0 3 413.949 3.861 50 0 HHAAHN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000048368000 568442075 /nfs/dbraw/zinc/44/20/75/568442075.db2.gz LLNICSWBFMRXIC-DNQXCXABSA-N 0 3 403.526 3.904 50 0 HHAAHN CC(C(=O)N[C@@H]1CCCC[C@H]1C)S(=O)(=O)Cc1csc(-c2cccs2)n1 ZINC000058602800 568442956 /nfs/dbraw/zinc/44/29/56/568442956.db2.gz YGGQQMPCOLDQJG-VNHYZAJKSA-N 0 3 412.602 3.870 50 0 HHAAHN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000095399569 568604689 /nfs/dbraw/zinc/60/46/89/568604689.db2.gz LQDHRARTHKTZLT-QAPCUYQASA-N 0 3 407.967 3.700 50 0 HHAAHN CCC[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)C2ON1c1ccccc1 ZINC000226864293 568698273 /nfs/dbraw/zinc/69/82/73/568698273.db2.gz QHTHISMPQZWDSL-FGTMMUONSA-N 0 3 415.287 3.928 50 0 HHAAHN O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)NCCN1CCCC1 ZINC000021538075 568712980 /nfs/dbraw/zinc/71/29/80/568712980.db2.gz KRRRLXVAZZCASU-UHFFFAOYSA-N 0 3 420.557 3.816 50 0 HHAAHN COc1cccc([C@@H]2C[C@H]2C(=O)N(C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)c1 ZINC000229429867 568713856 /nfs/dbraw/zinc/71/38/56/568713856.db2.gz GTXXAQVDPOWIJP-ISJGIBHGSA-N 0 3 422.569 3.703 50 0 HHAAHN COc1cccc([C@@H]2C[C@@H]2C(=O)N(C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)c1 ZINC000229429854 568714025 /nfs/dbraw/zinc/71/40/25/568714025.db2.gz GTXXAQVDPOWIJP-CCDWMCETSA-N 0 3 422.569 3.703 50 0 HHAAHN CCOC(=O)c1nc2ccccc2c(Nc2ccc(CN3CCN(CC)CC3)cc2)n1 ZINC000021645217 568727956 /nfs/dbraw/zinc/72/79/56/568727956.db2.gz IHBQTPVRUJQNMS-UHFFFAOYSA-N 0 3 419.529 3.688 50 0 HHAAHN Clc1ccccc1CN1CCC(CNc2nn3nnnc3c3ccccc32)CC1 ZINC000021777459 568752292 /nfs/dbraw/zinc/75/22/92/568752292.db2.gz AGGSSGBQWMUHPA-UHFFFAOYSA-N 0 3 407.909 3.650 50 0 HHAAHN CCN1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2cccc(Cl)c2)C1=O ZINC000086053451 568753254 /nfs/dbraw/zinc/75/32/54/568753254.db2.gz GTCAHMKSCHRHET-ISPGYRLHSA-N 0 3 409.917 3.942 50 0 HHAAHN CCN(CC)CCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021855890 568754747 /nfs/dbraw/zinc/75/47/47/568754747.db2.gz IZOZRBMMVLNHEU-RUZDIDTESA-N 0 3 424.589 3.647 50 0 HHAAHN Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2CCCN(C)C)c(C)c1 ZINC000002650361 568796243 /nfs/dbraw/zinc/79/62/43/568796243.db2.gz PXBVZSLOSMZELC-UHFFFAOYSA-N 0 3 409.555 3.940 50 0 HHAAHN C[C@H](Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C(=O)NC1CCCC1 ZINC000057286163 568825924 /nfs/dbraw/zinc/82/59/24/568825924.db2.gz BFLCPJDCFYDPIF-FQEVSTJZSA-N 0 3 406.574 3.868 50 0 HHAAHN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000058011045 568875950 /nfs/dbraw/zinc/87/59/50/568875950.db2.gz INENECQXBFFEDY-PZJWPPBQSA-N 0 3 413.587 3.673 50 0 HHAAHN CN(C)CCN(Cc1cccc(O)c1)C(=O)CCc1cc(Br)cs1 ZINC000083851059 568919705 /nfs/dbraw/zinc/91/97/05/568919705.db2.gz WOFLRBBQDMTJFA-UHFFFAOYSA-N 0 3 411.365 3.739 50 0 HHAAHN Cn1c2ccc(Br)cc2c2nnc(SCCN3CCCCC3)nc21 ZINC000003669754 568924627 /nfs/dbraw/zinc/92/46/27/568924627.db2.gz PAMZSNQQVDKDJB-UHFFFAOYSA-N 0 3 406.353 3.857 50 0 HHAAHN CCN(CC)CC(=O)Nc1ccc(-c2ccc(NC(=O)CN(CC)CC)cc2)cc1 ZINC000004697241 568928218 /nfs/dbraw/zinc/92/82/18/568928218.db2.gz GWPSFBCYDGRIRY-UHFFFAOYSA-N 0 3 410.562 3.914 50 0 HHAAHN O=C(NC1CCN(Cc2ccccc2)CC1)N[C@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000031662850 568928941 /nfs/dbraw/zinc/92/89/41/568928941.db2.gz PNIAURQIGNOZNL-OALUTQOASA-N 0 3 413.484 3.840 50 0 HHAAHN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000012742417 568929403 /nfs/dbraw/zinc/92/94/03/568929403.db2.gz OGNBPGBOIBGZKR-SFHVURJKSA-N 0 3 411.452 3.943 50 0 HHAAHN Cc1ncc(-c2ccc(C)c(S(=O)(=O)NC[C@@H]3CCCN4CCCC[C@H]34)c2)o1 ZINC000670461423 568951485 /nfs/dbraw/zinc/95/14/85/568951485.db2.gz CCQLCKJDJUKUJZ-RBUKOAKNSA-N 0 3 403.548 3.501 50 0 HHAAHN CCN(CCNC(=O)c1c(C)oc2ncnc(N3CCCCC3)c21)Cc1ccccc1 ZINC000015727622 568978698 /nfs/dbraw/zinc/97/86/98/568978698.db2.gz YOASULXLCPYVCL-UHFFFAOYSA-N 0 3 421.545 3.773 50 0 HHAAHN CCOC(=O)c1ccc(NC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)cc1 ZINC000012887723 569019681 /nfs/dbraw/zinc/01/96/81/569019681.db2.gz JNJDKABZICYDMO-OAQYLSRUSA-N 0 3 411.502 3.831 50 0 HHAAHN Cc1ccc2c(c1)-c1c(c(C(=O)NCCN(C)Cc3ccccc3)nn1C)CS2 ZINC000035534845 569043457 /nfs/dbraw/zinc/04/34/57/569043457.db2.gz YKRVMLAFEIHYGZ-UHFFFAOYSA-N 0 3 406.555 3.863 50 0 HHAAHN COc1ccc(N2OC3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3[C@H]2c2ccccc2)cc1 ZINC000239038577 569053952 /nfs/dbraw/zinc/05/39/52/569053952.db2.gz DMTLHMBJHHIBLA-BDTNDASRSA-N 0 3 418.424 3.885 50 0 HHAAHN COc1ccc(OC[C@@H](O)CN(Cc2ccc(OC)c(OC)c2)CC(C)C)cc1 ZINC000036095637 569089794 /nfs/dbraw/zinc/08/97/94/569089794.db2.gz QNXCNRZKUBRCDJ-IBGZPJMESA-N 0 3 403.519 3.610 50 0 HHAAHN COc1c(Br)cc(CN[C@H](C)Cn2ccnc2)cc1Br ZINC000036325314 569137413 /nfs/dbraw/zinc/13/74/13/569137413.db2.gz MWPXPYHUGOWIAB-SNVBAGLBSA-N 0 3 403.118 3.595 50 0 HHAAHN COc1ccc(NC(=O)c2ccc(N3CCN[C@@H](c4ccccc4)C3)nc2)c(OC)c1 ZINC000065256131 569208170 /nfs/dbraw/zinc/20/81/70/569208170.db2.gz IFHUKYSVEMIAPM-OAQYLSRUSA-N 0 3 418.497 3.502 50 0 HHAAHN CCOc1ccccc1CNC(=O)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1 ZINC000065256385 569208372 /nfs/dbraw/zinc/20/83/72/569208372.db2.gz BKNDKVDDVJZZDY-JOCHJYFZSA-N 0 3 416.525 3.561 50 0 HHAAHN CCN(CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc(F)cc1 ZINC000007263621 569230812 /nfs/dbraw/zinc/23/08/12/569230812.db2.gz LZQGQFUVIBVOCZ-HXUWFJFHSA-N 0 3 412.436 3.958 50 0 HHAAHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000065474278 569231204 /nfs/dbraw/zinc/23/12/04/569231204.db2.gz SHTFPMVMGLVGSN-UMVBOHGHSA-N 0 3 419.360 3.614 50 0 HHAAHN Cc1noc2nc(C(C)C)cc(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCCO3)c12 ZINC000170613556 569246932 /nfs/dbraw/zinc/24/69/32/569246932.db2.gz MXVFHURRBLVQAD-LJQANCHMSA-N 0 3 422.529 3.676 50 0 HHAAHN COc1cc(C(C)=O)ccc1OCC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000170629024 569250724 /nfs/dbraw/zinc/25/07/24/569250724.db2.gz YXAJIHDEMYCKBQ-KRWDZBQOSA-N 0 3 410.514 3.618 50 0 HHAAHN CC(C)NC(=O)CN(C)C1CCN(c2nc3cc(C(F)(F)F)ccc3s2)CC1 ZINC000089885240 569267713 /nfs/dbraw/zinc/26/77/13/569267713.db2.gz XLWXNIYHZNYUFS-UHFFFAOYSA-N 0 3 414.497 3.740 50 0 HHAAHN COCCn1c(C)cc(O)c([C@@H](c2cccc(Cl)c2)N2CCC(C)CC2)c1=O ZINC000016993372 569270904 /nfs/dbraw/zinc/27/09/04/569270904.db2.gz ZEQNIIMYVLUAGM-OAQYLSRUSA-N 0 3 404.938 3.983 50 0 HHAAHN FC(F)(F)c1cccc(N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)n1 ZINC000252500209 569291068 /nfs/dbraw/zinc/29/10/68/569291068.db2.gz SPDGPSGAQLGJCG-UHFFFAOYSA-N 0 3 404.480 3.887 50 0 HHAAHN O=C(CNC[C@H](CO)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000002187355 569293664 /nfs/dbraw/zinc/29/36/64/569293664.db2.gz QYNTUXMTCRQYTP-LJQANCHMSA-N 0 3 422.912 3.875 50 0 HHAAHN O=C(COCc1ccccc1Cl)N1CCC[C@H](c2n[nH]cc2CN2CCCC2)C1 ZINC000253419185 569367728 /nfs/dbraw/zinc/36/77/28/569367728.db2.gz AUDRCXBTZQKOOB-KRWDZBQOSA-N 0 3 416.953 3.582 50 0 HHAAHN Cc1nc2ccccc2n1CCCCCN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000328593979 569415658 /nfs/dbraw/zinc/41/56/58/569415658.db2.gz FQWOOWVGGFGKOR-VWLOTQADSA-N 0 3 406.574 3.866 50 0 HHAAHN C[C@@H]1C[C@@H](N(C)C(=O)COc2ccc3cc(Br)ccc3c2)CCN1C ZINC000078870213 569421022 /nfs/dbraw/zinc/42/10/22/569421022.db2.gz OIOJDZZVRKWRCQ-KDOFPFPSSA-N 0 3 405.336 3.922 50 0 HHAAHN CCC(CC)(CC(=O)OC)NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000079068521 569426731 /nfs/dbraw/zinc/42/67/31/569426731.db2.gz CCQMHBWXUAYGTR-UHFFFAOYSA-N 0 3 411.502 3.589 50 0 HHAAHN Cc1ccc(-n2cnnc2SCC(=O)NC[C@H](C(C)C)N2CCC(C)CC2)cc1 ZINC000040089267 571159172 /nfs/dbraw/zinc/15/91/72/571159172.db2.gz FIMYMRSZNFTOFW-HXUWFJFHSA-N 0 3 415.607 3.541 50 0 HHAAHN COc1ccc([C@@H](CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)N(C)C)cc1 ZINC000008941836 571168597 /nfs/dbraw/zinc/16/85/97/571168597.db2.gz KLKBOJPSUGSPIP-HSZRJFAPSA-N 0 3 404.514 3.791 50 0 HHAAHN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccnc1)N(CCCN(C)C)C3=O ZINC000010233078 571297513 /nfs/dbraw/zinc/29/75/13/571297513.db2.gz BWBSUCYELZQOJF-IBGZPJMESA-N 0 3 411.889 3.647 50 0 HHAAHN CCCC[C@H]1CN(CCC(=O)NCCCOc2cccnc2)Cc2ccccc2O1 ZINC000012160331 962247089 /nfs/dbraw/zinc/24/70/89/962247089.db2.gz OZRFPZKWXWFHHQ-QFIPXVFZSA-N 0 3 411.546 3.810 50 0 HHAAHN CC(=O)c1cc(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccc(C(C)C)cc2)C3)[nH]n1 ZINC000012301436 962267471 /nfs/dbraw/zinc/26/74/71/962267471.db2.gz VNAZKOHMCWKZRU-XMMPIXPASA-N 0 3 408.546 3.864 50 0 HHAAHN CCCCc1ncc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCCN24)[nH]1 ZINC000012301396 962267564 /nfs/dbraw/zinc/26/75/64/962267564.db2.gz FENRLBSYJDQSGI-WXVUKLJWSA-N 0 3 408.546 3.699 50 0 HHAAHN COc1ccc(CN2CCC[C@@H]3CN(C(=O)c4cccc(F)c4)CC[C@@H]32)cc1OC ZINC000014979890 962616885 /nfs/dbraw/zinc/61/68/85/962616885.db2.gz GVKISKWSRXCFAK-CTNGQTDRSA-N 0 3 412.505 3.970 50 0 HHAAHN OCC[C@H]1CN(Cc2ccc3cc(Cl)ccc3n2)CCN1CCc1ccccc1 ZINC000019836595 963374949 /nfs/dbraw/zinc/37/49/49/963374949.db2.gz KJADPRQJVGOYPO-QHCPKHFHSA-N 0 3 409.961 4.000 50 0 HHAAHN O=C(CN1CCCCCC1)N1CCC(N2C(=O)C3(CCCC3)[C@H]2c2ccccc2)CC1 ZINC000257183574 970619790 /nfs/dbraw/zinc/61/97/90/970619790.db2.gz HRSJYFHGIJSCHM-XMMPIXPASA-N 0 3 423.601 3.997 50 0 HHAAHN O=C(CN1CCCCCC1)N1CCC(N2C(=O)C3(CCCC3)[C@@H]2c2ccccc2)CC1 ZINC000257183573 970619850 /nfs/dbraw/zinc/61/98/50/970619850.db2.gz HRSJYFHGIJSCHM-DEOSSOPVSA-N 0 3 423.601 3.997 50 0 HHAAHN COc1ccccc1/C=C/CN1CCOc2ccc(CN3CCC(O)CC3)cc2C1 ZINC000299764329 970722691 /nfs/dbraw/zinc/72/26/91/970722691.db2.gz ZOORTYRJYKKMTO-GQCTYLIASA-N 0 3 408.542 3.560 50 0 HHAAHN CCOc1ccccc1N1CCN(C(=O)C2CCN(Cc3ccc(C)cc3)CC2)CC1 ZINC000004676918 132282360 /nfs/dbraw/zinc/28/23/60/132282360.db2.gz ICVUGUFBYJFQNM-UHFFFAOYSA-N 0 3 421.585 3.955 50 0 HHAAHN C[C@@H](NCC(=O)N1CCN(c2ccccn2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000008749915 132333129 /nfs/dbraw/zinc/33/31/29/132333129.db2.gz VWQSFHGMLHSIPY-HXUWFJFHSA-N 0 3 400.526 3.748 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)c3ccccc3NC(=O)c3ccco3)cc2)CC1 ZINC000011947038 132352487 /nfs/dbraw/zinc/35/24/87/132352487.db2.gz OGGWWUGVGUWAAU-UHFFFAOYSA-N 0 3 418.497 3.926 50 0 HHAAHN CCN(CC)[C@@H](CNC(=O)CCCn1c(=O)oc2ccccc21)c1ccsc1 ZINC000031988379 520831131 /nfs/dbraw/zinc/83/11/31/520831131.db2.gz MGCOJMIQGQBMGH-SFHVURJKSA-N 0 3 401.532 3.636 50 0 HHAAHN c1cc(CN2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)n(-c2ccccn2)c1 ZINC000020538564 526423112 /nfs/dbraw/zinc/42/31/12/526423112.db2.gz DZDQNOPGIHQEMH-HSZRJFAPSA-N 0 3 401.558 3.659 50 0 HHAAHN COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000001530580 557271490 /nfs/dbraw/zinc/27/14/90/557271490.db2.gz OGHNVEJMJSYVRP-QGZVFWFLSA-N 0 3 406.482 3.738 50 0 aggregator,fda HHAAHN NC(=O)c1ccc(CN2CCC3(C[C@@H]3c3nnc(-c4cccc(F)c4)o3)CC2)cc1 ZINC000071890567 557317359 /nfs/dbraw/zinc/31/73/59/557317359.db2.gz IZPSFCHXANGACM-LJQANCHMSA-N 0 3 406.461 3.744 50 0 HHAAHN Cc1cc([C@@H]2C[C@@H](C(=O)N3CCOCC3)CN(Cc3ccc(F)cc3)C2)ccc1F ZINC000034716778 557430468 /nfs/dbraw/zinc/43/04/68/557430468.db2.gz GZYJQPIIMAMLAA-NHCUHLMSSA-N 0 3 414.496 3.738 50 0 HHAAHN Oc1ccc2c3c1O[C@H]1c4oc5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000003874478 557501890 /nfs/dbraw/zinc/50/18/90/557501890.db2.gz ZHVWWEYETMPAMX-IFKAHUTRSA-N 0 3 415.489 3.838 50 0 in-vitro HHAAHN COc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4cccc5ccccc54)C3=O)c2c1 ZINC000005274557 557642995 /nfs/dbraw/zinc/64/29/95/557642995.db2.gz KSAAKAHDLLHUOU-QFIPXVFZSA-N 0 3 413.477 3.794 50 0 HHAAHN O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000005450860 557654569 /nfs/dbraw/zinc/65/45/69/557654569.db2.gz WAXGRWIQAUQRKP-SFHVURJKSA-N 0 3 401.388 3.651 50 0 HHAAHN COc1ccc([C@H](CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)N(C)C)cc1 ZINC000008744968 557804618 /nfs/dbraw/zinc/80/46/18/557804618.db2.gz PTPZPYFKHJGTGQ-QFIPXVFZSA-N 0 3 421.545 3.931 50 0 HHAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)[C@@H]1CC12CCC2 ZINC000011718204 558272091 /nfs/dbraw/zinc/27/20/91/558272091.db2.gz HNWTXLHBXNUEPS-NRFANRHFSA-N 0 3 400.563 3.572 50 0 HHAAHN C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(CC1CCCCC1)CC2 ZINC000019781897 558281430 /nfs/dbraw/zinc/28/14/30/558281430.db2.gz OSAZWIGVQVQFPI-IBGZPJMESA-N 0 3 409.578 3.527 50 0 HHAAHN COc1cccc(-c2n[nH]cc2C(=O)N2CCC[C@@H](N(C)Cc3ccccc3)C2)c1 ZINC000011820298 558283750 /nfs/dbraw/zinc/28/37/50/558283750.db2.gz CGLWRPHFKACCDM-HXUWFJFHSA-N 0 3 404.514 3.822 50 0 HHAAHN CCOc1cc(CN2CCC3(CC[C@H](CNC(=O)c4ccccc4)O3)CC2)ccc1O ZINC000011839558 558286194 /nfs/dbraw/zinc/28/61/94/558286194.db2.gz FGVRGRQLQIVSIV-OAQYLSRUSA-N 0 3 424.541 3.735 50 0 HHAAHN Cc1cc(=O)c(C(=O)NCC2CCCCC2)c(CCc2ccccc2)n1CCN(C)C ZINC000011840006 558286472 /nfs/dbraw/zinc/28/64/72/558286472.db2.gz SSNHZJXHFYZYFK-UHFFFAOYSA-N 0 3 423.601 3.814 50 0 HHAAHN Cc1ccc(-n2cccn2)c(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)c1 ZINC000011844029 558288768 /nfs/dbraw/zinc/28/87/68/558288768.db2.gz GUUPULYDLWKNCI-UHFFFAOYSA-N 0 3 404.518 3.563 50 0 HHAAHN CCOc1cc(CNCCN2CCOCC2)ccc1OCc1ccc(Cl)cc1 ZINC000019872270 558299817 /nfs/dbraw/zinc/29/98/17/558299817.db2.gz HFWOZKAXXUKMCK-UHFFFAOYSA-N 0 3 404.938 3.740 50 0 HHAAHN COc1ccc(CCN(CC2CCN(C)CC2)C(=O)c2ccccc2N(C)C)cc1 ZINC000011936946 558300886 /nfs/dbraw/zinc/30/08/86/558300886.db2.gz DKNWEQDSKMUCPR-UHFFFAOYSA-N 0 3 409.574 3.788 50 0 HHAAHN CCc1ccc(CN2CCC3(C[C@@H]3C(=O)N3CCN(Cc4ccccc4)CC3)CC2)o1 ZINC000011972229 558305082 /nfs/dbraw/zinc/30/50/82/558305082.db2.gz AQYBESSAIORXBH-XMMPIXPASA-N 0 3 421.585 3.789 50 0 HHAAHN COc1ccccc1/C=C/CN1CCC2(C[C@@H]2C(=O)N(C)Cc2cscn2)CC1 ZINC000012042603 558313328 /nfs/dbraw/zinc/31/33/28/558313328.db2.gz BIFOXPDCNPMZHT-ZEZYUPADSA-N 0 3 411.571 3.926 50 0 HHAAHN Cc1cc(CN(C)C(=O)C2(N(C)CCc3ccccc3)Cc3ccccc3C2)on1 ZINC000012112213 558326728 /nfs/dbraw/zinc/32/67/28/558326728.db2.gz CNFNMIFRJWJBJP-UHFFFAOYSA-N 0 3 403.526 3.654 50 0 HHAAHN COc1ccc(CNCc2ccc(Oc3nnnn3-c3ccccc3)c(OC)c2)cc1 ZINC000020248749 558351542 /nfs/dbraw/zinc/35/15/42/558351542.db2.gz HYOCBKGHXJVLNI-UHFFFAOYSA-N 0 3 417.469 3.762 50 0 HHAAHN COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C/C(C)=C/c3ccccc3)C2)cc1 ZINC000012303693 558373125 /nfs/dbraw/zinc/37/31/25/558373125.db2.gz UXTOBSWROYPEKZ-JENJNIGESA-N 0 3 414.571 3.789 50 0 HHAAHN COc1ccccc1OCC(=O)NC[C@H]1CCCN(Cc2ccc(SC)cc2)C1 ZINC000012386857 558395560 /nfs/dbraw/zinc/39/55/60/558395560.db2.gz XCJHJXYYRYMSOU-LJQANCHMSA-N 0 3 414.571 3.824 50 0 HHAAHN COc1cc(C(=O)N[C@H](C)Cn2ccc3ccccc32)ccc1OC1CCN(C)CC1 ZINC000012442535 558412586 /nfs/dbraw/zinc/41/25/86/558412586.db2.gz JPYIFXKJMQGGMT-GOSISDBHSA-N 0 3 421.541 3.941 50 0 HHAAHN CCOC(=O)[C@]1(Cc2ccccc2)CCCN(Cc2ccc(OCC)c(CO)c2)C1 ZINC000012472001 558421969 /nfs/dbraw/zinc/42/19/69/558421969.db2.gz QMAUMZAPPZLPJB-VWLOTQADSA-N 0 3 411.542 3.966 50 0 HHAAHN O=C(c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)N1CCCC[C@@H]1CO ZINC000012576193 558430984 /nfs/dbraw/zinc/43/09/84/558430984.db2.gz POLLRBDTDATIEU-HSZRJFAPSA-N 0 3 422.569 3.760 50 0 HHAAHN O=C(CCC1CCN(Cc2cccc(OCCO)c2)CC1)NCc1ccc(F)cc1 ZINC000012576761 558431110 /nfs/dbraw/zinc/43/11/10/558431110.db2.gz GIYUVEDPWMEUFY-UHFFFAOYSA-N 0 3 414.521 3.505 50 0 HHAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)NCCc2ccccc2)C1 ZINC000012578207 558431899 /nfs/dbraw/zinc/43/18/99/558431899.db2.gz NMWAGPXBHSEBKE-JOCHJYFZSA-N 0 3 409.574 3.834 50 0 HHAAHN COc1ccc(C(=O)NC2CC2)c(OC2CCN(CCCC(F)(F)F)CC2)c1 ZINC000012579555 558432081 /nfs/dbraw/zinc/43/20/81/558432081.db2.gz KWIZBBRJEKJWLF-UHFFFAOYSA-N 0 3 400.441 3.773 50 0 HHAAHN COc1cccc(CNC(=O)CC[C@H]2CCCN(Cc3ccc(NC(C)=O)cc3)C2)c1 ZINC000012579904 558432362 /nfs/dbraw/zinc/43/23/62/558432362.db2.gz SHOXPSHQGFYRFF-HXUWFJFHSA-N 0 3 423.557 3.962 50 0 HHAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2cc(C)nn2C)CC1 ZINC000012585086 558433940 /nfs/dbraw/zinc/43/39/40/558433940.db2.gz KCLSRTBJIDRTAV-UHFFFAOYSA-N 0 3 412.578 3.748 50 0 HHAAHN CC(=O)NC[C@@H]1CCCN(Cc2cn(-c3cccc(F)c3)nc2-c2ccc(C)o2)C1 ZINC000012595233 558437385 /nfs/dbraw/zinc/43/73/85/558437385.db2.gz KXTRGORDEHKOEB-SFHVURJKSA-N 0 3 410.493 3.928 50 0 HHAAHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000022184492 558465445 /nfs/dbraw/zinc/46/54/45/558465445.db2.gz UGIGIGYLSFLGDV-VFNWGFHPSA-N 0 3 421.522 3.868 50 0 HHAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccnc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013042578 558508149 /nfs/dbraw/zinc/50/81/49/558508149.db2.gz TVDUNKYDUZOHKX-VAMGGRTRSA-N 0 3 405.841 3.786 50 0 HHAAHN CC(C)n1cc(CN2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)cn1 ZINC000023361122 558552292 /nfs/dbraw/zinc/55/22/92/558552292.db2.gz XVZZYMNHLIPKHA-JOCHJYFZSA-N 0 3 401.986 3.904 50 0 HHAAHN Cc1nc(-c2ccccc2)nc2sc(C(=O)N3CCCC3)c(OCCN(C)C)c21 ZINC000013732040 558586863 /nfs/dbraw/zinc/58/68/63/558586863.db2.gz KRZOCVPUJOLCRZ-UHFFFAOYSA-N 0 3 410.543 3.843 50 0 HHAAHN Cc1nc(-c2ccc(CCN[C@@H](C(=O)N3CCOCC3)c3ccccc3)cc2)cs1 ZINC000014160809 558626109 /nfs/dbraw/zinc/62/61/09/558626109.db2.gz OOPDRQRJVNDYFF-HSZRJFAPSA-N 0 3 421.566 3.851 50 0 HHAAHN CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000014356967 558652989 /nfs/dbraw/zinc/65/29/89/558652989.db2.gz ALCGUZLBKILMTQ-VLCRHTCISA-N 0 3 411.546 3.747 50 0 HHAAHN CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@@H](N(C)Cc1ccsc1)CC2 ZINC000014748315 558670007 /nfs/dbraw/zinc/67/00/07/558670007.db2.gz LXDNIZHUYXJBMU-IBGZPJMESA-N 0 3 408.571 3.743 50 0 HHAAHN c1c(COc2ccc(CNC[C@H]3COc4ccccc4O3)cc2)nc2ccccn12 ZINC000027397950 558673051 /nfs/dbraw/zinc/67/30/51/558673051.db2.gz FDWJLFXCBYBYDM-NRFANRHFSA-N 0 3 401.466 3.843 50 0 HHAAHN CC(C)c1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)cc1 ZINC000014954894 558681879 /nfs/dbraw/zinc/68/18/79/558681879.db2.gz MSPREXONPCFQPL-KRWDZBQOSA-N 0 3 407.518 3.544 50 0 HHAAHN COc1cccc(CNC(=O)CC[C@@H]2CCCN(Cc3cnc(N(C)C)s3)C2)c1 ZINC000014961042 558684133 /nfs/dbraw/zinc/68/41/33/558684133.db2.gz IZBICCOGCANHEQ-KRWDZBQOSA-N 0 3 416.591 3.526 50 0 HHAAHN COc1cc(CN2C(=O)CC[C@@H]2CCNCc2ccccc2F)cc(OC)c1OC ZINC000014976939 558689704 /nfs/dbraw/zinc/68/97/04/558689704.db2.gz XCFHZEZDZVVLIX-GOSISDBHSA-N 0 3 416.493 3.522 50 0 HHAAHN COc1ccccc1/C=C/CN1CCC[C@@H](CNC(=O)COc2ccccc2OC)C1 ZINC000015067760 558710397 /nfs/dbraw/zinc/71/03/97/558710397.db2.gz VYSGSLXHQPPJMC-ZBWUASRJSA-N 0 3 424.541 3.624 50 0 HHAAHN COc1ccccc1OCC(=O)NC[C@H]1CCCN(C/C=C/c2ccc(F)cc2)C1 ZINC000015078348 558717587 /nfs/dbraw/zinc/71/75/87/558717587.db2.gz WRZGLTKZVPPUAJ-PEAOBZDDSA-N 0 3 412.505 3.755 50 0 HHAAHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)NCCc1cn2ccccc2n1 ZINC000072289642 558722269 /nfs/dbraw/zinc/72/22/69/558722269.db2.gz RCPJXXDIBJHPEK-JOCHJYFZSA-N 0 3 419.573 3.649 50 0 HHAAHN Cc1ccc2c(c1)CN(CCC(=O)N1CCC([C@H](O)c3ccccc3)CC1)C[C@@H](C)O2 ZINC000039354731 558820305 /nfs/dbraw/zinc/82/03/05/558820305.db2.gz XPTRGIZHCYWHAA-FQRUVTKNSA-N 0 3 422.569 3.940 50 0 HHAAHN O=C(Nc1ccnn1C1CCN(Cc2cccc3nonc32)CC1)c1ccccc1 ZINC000055383229 558880604 /nfs/dbraw/zinc/88/06/04/558880604.db2.gz IJORGOCEGBDUNO-UHFFFAOYSA-N 0 3 402.458 3.509 50 0 HHAAHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NCCc1ccccc1 ZINC000058004950 558894427 /nfs/dbraw/zinc/89/44/27/558894427.db2.gz NJRLPGYXQVNVGC-UHFFFAOYSA-N 0 3 404.352 3.765 50 0 HHAAHN C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000060168066 558941468 /nfs/dbraw/zinc/94/14/68/558941468.db2.gz UQNDKEXKOBMDGI-CQSZACIVSA-N 0 3 417.472 3.509 50 0 HHAAHN CC(C)n1cc(-c2cc(C(=O)N3CCCN(C)C[C@H]3C)c3ccc(F)cc3n2)cn1 ZINC000063855453 558959662 /nfs/dbraw/zinc/95/96/62/558959662.db2.gz VFLIFDOOJMXPBY-MRXNPFEDSA-N 0 3 409.509 3.985 50 0 HHAAHN CC(C)n1cc(-c2cc(C(=O)N3CCCN(C)C[C@H]3C)c3cc(F)ccc3n2)cn1 ZINC000063868710 558960277 /nfs/dbraw/zinc/96/02/77/558960277.db2.gz QCGZCGJMNUWYJS-MRXNPFEDSA-N 0 3 409.509 3.985 50 0 HHAAHN COc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2c1 ZINC000004728061 558984997 /nfs/dbraw/zinc/98/49/97/558984997.db2.gz LCCWXBJQUAEVKF-HXUWFJFHSA-N 0 3 411.889 3.603 50 0 HHAAHN CCN(CC)CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc2cccnc21 ZINC000096999009 558987383 /nfs/dbraw/zinc/98/73/83/558987383.db2.gz MIGBJVYGQWCGGZ-UHFFFAOYSA-N 0 3 410.543 3.605 50 0 HHAAHN COc1cc(C)c(-c2nc(CN3CCC[C@H](CN4CCOCC4)C3)c(C)o2)cc1C ZINC000067755354 558992307 /nfs/dbraw/zinc/99/23/07/558992307.db2.gz FAXBDCSMOVGXQQ-HXUWFJFHSA-N 0 3 413.562 3.820 50 0 HHAAHN CS[C@H](C)C(=O)Nc1nn(-c2cccc(F)c2)c2cccc(OCCN(C)C)c12 ZINC000077488863 559007258 /nfs/dbraw/zinc/00/72/58/559007258.db2.gz JPHXFZPCQYATSV-CQSZACIVSA-N 0 3 416.522 3.795 50 0 HHAAHN COc1ccc(NC(=O)c2cc3cc4c5c(c3oc2=N)CCCN5CCC4)cc1OC ZINC000004921952 559206863 /nfs/dbraw/zinc/20/68/63/559206863.db2.gz UTUMPOGYJKYEFY-UHFFFAOYSA-N 0 3 419.481 3.881 50 0 HHAAHN CN(Cc1nccs1)Cc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000011840625 559261536 /nfs/dbraw/zinc/26/15/36/559261536.db2.gz BXUJOENJXXTWIB-QFIPXVFZSA-N 0 3 423.582 3.573 50 0 HHAAHN O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000005354802 560569437 /nfs/dbraw/zinc/56/94/37/560569437.db2.gz CUUXDDIYBCFWPA-SFHVURJKSA-N 0 3 402.281 3.939 50 0 HHAAHN COc1ccc(NC(=O)[C@H]2C[C@@H]3CCCN3[C@@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000005483282 560596429 /nfs/dbraw/zinc/59/64/29/560596429.db2.gz YVUFEZLYZUOAFD-IQOKHDRSSA-N 0 3 405.498 3.582 50 0 HHAAHN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@H](C)O)C(C)C)cc1 ZINC000105003418 560859381 /nfs/dbraw/zinc/85/93/81/560859381.db2.gz WIRUARKGSPHMEU-RXVVDRJESA-N 0 3 416.587 3.653 50 0 HHAAHN O=C(CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 ZINC000019817511 560885557 /nfs/dbraw/zinc/88/55/57/560885557.db2.gz VCFVAUDWAKKUTQ-QFBILLFUSA-N 0 3 424.888 3.785 50 0 HHAAHN CCN1CCN(Cc2ccc(CNC(=O)CCOc3cc(C)ccc3C)cc2)CC1 ZINC000048289845 568435079 /nfs/dbraw/zinc/43/50/79/568435079.db2.gz YOBPHKUNGFNAOB-UHFFFAOYSA-N 0 3 409.574 3.526 50 0 HHAAHN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000048367999 568442098 /nfs/dbraw/zinc/44/20/98/568442098.db2.gz LLNICSWBFMRXIC-BJKOFHAPSA-N 0 3 403.526 3.904 50 0 HHAAHN O=C(Nc1ccccc1)c1ccc(N2CC[C@@H](NCc3ccc(F)c(F)c3)C2)nc1 ZINC000049421000 568450452 /nfs/dbraw/zinc/45/04/52/568450452.db2.gz AHTBNZDYUXLCJO-LJQANCHMSA-N 0 3 408.452 3.981 50 0 HHAAHN C[C@@H](NCC1(N2CCOCC2)CCCCC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000022039548 568473274 /nfs/dbraw/zinc/47/32/74/568473274.db2.gz AVKIGMHHJGZRDU-OAHLLOKOSA-N 0 3 414.377 3.945 50 0 HHAAHN O=C(CSc1nccnc1Sc1ccccc1)NCCN1CCCCCC1 ZINC000033168956 568511615 /nfs/dbraw/zinc/51/16/15/568511615.db2.gz SRNURRVFFKTETG-UHFFFAOYSA-N 0 3 402.589 3.712 50 0 HHAAHN Cc1ccc2c(c1)C(C)=Nc1cc(C(=O)NCCCN3CCN(C)CC3)ccc1S2 ZINC000020178939 568593019 /nfs/dbraw/zinc/59/30/19/568593019.db2.gz NIVLACLCCNTJGE-UHFFFAOYSA-N 0 3 422.598 3.968 50 0 HHAAHN CCN1CCN(c2cc(CN[C@H](C)c3ccc(Br)cc3)ccn2)CC1 ZINC000095407532 568606268 /nfs/dbraw/zinc/60/62/68/568606268.db2.gz CUWYQBCWIDQGFL-MRXNPFEDSA-N 0 3 403.368 3.837 50 0 HHAAHN CN1CCN([C@@H]2CCCCN(C(=O)Nc3ccc(N4CCCC4)c(Cl)c3)C2)CC1 ZINC000095454964 568616624 /nfs/dbraw/zinc/61/66/24/568616624.db2.gz PJLNSLAJSFHIIL-LJQANCHMSA-N 0 3 420.001 3.574 50 0 HHAAHN COc1ccc(-n2ccc(CN[C@H]3CC4(CCN(C)CC4)Oc4ccccc43)n2)cc1 ZINC000095462835 568621645 /nfs/dbraw/zinc/62/16/45/568621645.db2.gz ZBRYKFLYNCHNCX-QHCPKHFHSA-N 0 3 418.541 3.959 50 0 HHAAHN CCC(=O)N1CCc2cc(C(=O)Nc3ccc(N4CCN(CC)CC4)cc3C)ccc21 ZINC000040143530 568624217 /nfs/dbraw/zinc/62/42/17/568624217.db2.gz OMZYPWCCCFNNPE-UHFFFAOYSA-N 0 3 420.557 3.688 50 0 HHAAHN CN(CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)C1CC1)C1CC1 ZINC000225571890 568652550 /nfs/dbraw/zinc/65/25/50/568652550.db2.gz GOPOCLOLWSASJE-UHFFFAOYSA-N 0 3 424.520 3.575 50 0 HHAAHN CN(CCCNC(=O)C1=Cc2cc(Br)ccc2OC1)Cc1ccccc1 ZINC000021095807 568665049 /nfs/dbraw/zinc/66/50/49/568665049.db2.gz FQIAYVQUNMWLMA-UHFFFAOYSA-N 0 3 415.331 3.863 50 0 HHAAHN CCN1CCC2(CC1)N=C(c1ccccc1)C(=S)N2C(=O)c1ccc(OC)cc1 ZINC000021148550 568672072 /nfs/dbraw/zinc/67/20/72/568672072.db2.gz GUEPRFMOPWPJIN-UHFFFAOYSA-N 0 3 407.539 3.780 50 0 HHAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@@H]3C2=O)c1 ZINC000229985079 568716235 /nfs/dbraw/zinc/71/62/35/568716235.db2.gz WTVQUSKAZVHUDT-BHDDXSALSA-N 0 3 418.424 3.885 50 0 HHAAHN COc1ccc(C2(CNC(=O)[C@@H]3CCCCN3C3CCCC3)CCOCC2)cc1 ZINC000239359539 568729020 /nfs/dbraw/zinc/72/90/20/568729020.db2.gz AEPYNSXQVWGSTG-QFIPXVFZSA-N 0 3 400.563 3.657 50 0 HHAAHN Cc1cc2nnc(SCC(=O)NC[C@H](c3ccccc3)N(C)C)n2c2ccccc12 ZINC000005885964 568828296 /nfs/dbraw/zinc/82/82/96/568828296.db2.gz HNJHGFFYMHWIAG-HXUWFJFHSA-N 0 3 419.554 3.702 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)N[C@@H](C)CCc3ccc(O)cc3)cc2C)CC1 ZINC000057866325 568864519 /nfs/dbraw/zinc/86/45/19/568864519.db2.gz KTOJOEWLGSWFLM-IBGZPJMESA-N 0 3 410.562 3.985 50 0 HHAAHN Cc1ccccc1-c1ccc(N2CCC[C@H](C(=O)NCCN3CCCC[C@H]3C)C2)nn1 ZINC000248115091 568950173 /nfs/dbraw/zinc/95/01/73/568950173.db2.gz UYAZVZQXNBLBRO-RTWAWAEBSA-N 0 3 421.589 3.659 50 0 HHAAHN CN(CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1)Cc1ccccc1 ZINC000015773974 568998890 /nfs/dbraw/zinc/99/88/90/568998890.db2.gz FGLMFURLORRNFI-DEOSSOPVSA-N 0 3 413.521 3.506 50 0 HHAAHN COc1ccc(NC(=O)[C@@H]2C[C@@H](CC(C)C)N[C@]23c2cc(C)ccc2NC3=O)cc1 ZINC000015972091 569025228 /nfs/dbraw/zinc/02/52/28/569025228.db2.gz LXGWRKRXKJDGPC-VWQFJMCTSA-N 0 3 407.514 3.814 50 0 HHAAHN COc1ccccc1OCCNCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000016046946 569028332 /nfs/dbraw/zinc/02/83/32/569028332.db2.gz QDPJIEULPHDHQN-QFIPXVFZSA-N 0 3 404.510 3.764 50 0 HHAAHN COc1ccc(F)c(CN2CCC[C@@]3(CCN(CCn4cc(Cl)cn4)C3)C2)c1 ZINC000426648175 569073652 /nfs/dbraw/zinc/07/36/52/569073652.db2.gz RPOGEBDWDQUXDG-NRFANRHFSA-N 0 3 406.933 3.672 50 0 HHAAHN COc1ccc(OC)c(-c2cc(CN(CCN(C)C)C(=O)c3ccccc3)no2)c1 ZINC000036012529 569076187 /nfs/dbraw/zinc/07/61/87/569076187.db2.gz CPZQUZQBCAQSOI-UHFFFAOYSA-N 0 3 409.486 3.563 50 0 HHAAHN O=C(NCCN1CCCCCC1)c1nc(-c2ccc(N3CCCCCC3)cc2)no1 ZINC000064746578 569088498 /nfs/dbraw/zinc/08/84/98/569088498.db2.gz UPIJMQUJKKJMLO-UHFFFAOYSA-N 0 3 411.550 3.723 50 0 HHAAHN CCCC(=O)OC[C@@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1cc(C)ccc1C ZINC000036103948 569092307 /nfs/dbraw/zinc/09/23/07/569092307.db2.gz RDYXOTFASOXZCO-NRFANRHFSA-N 0 3 413.514 3.739 50 0 HHAAHN Cc1ccccc1CN(Cc1ccc2c(c1)OCO2)C[C@H](O)COCc1ccco1 ZINC000036104609 569092663 /nfs/dbraw/zinc/09/26/63/569092663.db2.gz DHEIQJVSNBDESW-NRFANRHFSA-N 0 3 409.482 3.897 50 0 HHAAHN COc1cc(NC(=O)NCC2CCN(Cc3ccccc3F)CC2)cc(OC)c1 ZINC000006819344 569139181 /nfs/dbraw/zinc/13/91/81/569139181.db2.gz LLNVEVSUHIOTFT-UHFFFAOYSA-N 0 3 401.482 3.877 50 0 HHAAHN CC(=O)N1CCc2cc(-c3ccc(C(=O)NCCN4CCCC[C@@H]4C)cc3)ccc21 ZINC000065026998 569155867 /nfs/dbraw/zinc/15/58/67/569155867.db2.gz OEYNHAXOTFKXNN-SFHVURJKSA-N 0 3 405.542 3.867 50 0 HHAAHN C[C@@H]1CCCCN1CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000006875480 569163063 /nfs/dbraw/zinc/16/30/63/569163063.db2.gz WAZDEYWLRCMYRY-MAODMQOUSA-N 0 3 411.571 3.649 50 0 HHAAHN CCOCCCNC(=O)N[C@H](C)c1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000006877458 569164345 /nfs/dbraw/zinc/16/43/45/569164345.db2.gz HHIRBKULJVWRKA-MRXNPFEDSA-N 0 3 404.580 3.704 50 0 HHAAHN CC(C)(CNC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCCCC1 ZINC000036395611 569169166 /nfs/dbraw/zinc/16/91/66/569169166.db2.gz OOEFXSLAMPQMAZ-UHFFFAOYSA-N 0 3 412.500 3.802 50 0 HHAAHN O=C(NCCN1CCCCC1)c1ccc(NC(=O)C2CC2)cc1N1CCCCCC1 ZINC000065166053 569189678 /nfs/dbraw/zinc/18/96/78/569189678.db2.gz YMEVEJHIKKVWHP-UHFFFAOYSA-N 0 3 412.578 3.631 50 0 HHAAHN Cn1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000036616448 569207471 /nfs/dbraw/zinc/20/74/71/569207471.db2.gz JMAQJEOZWFDKSV-UHFFFAOYSA-N 0 3 419.529 3.963 50 0 HHAAHN CN(C)CCNC(=O)c1cc(-c2ccccc2)nc2onc(-c3ccccc3F)c21 ZINC000036618392 569209998 /nfs/dbraw/zinc/20/99/98/569209998.db2.gz CQMREFVOQGEASB-UHFFFAOYSA-N 0 3 404.445 3.987 50 0 HHAAHN COc1ccc(-c2noc3nc(C4CC4)cc(C(=O)NC4CCN(C)CC4)c32)cc1 ZINC000036619018 569210390 /nfs/dbraw/zinc/21/03/90/569210390.db2.gz WUDFBXBGOWOTDZ-UHFFFAOYSA-N 0 3 406.486 3.600 50 0 HHAAHN CC(C)CN(CC(=O)NC1CCOCC1)C(C)(C)c1ccc(Br)cc1 ZINC000170601221 569243272 /nfs/dbraw/zinc/24/32/72/569243272.db2.gz ACRBFZLDPNHVSI-UHFFFAOYSA-N 0 3 411.384 3.937 50 0 HHAAHN CN(C)CCNC(=O)c1cc2sc(Br)cc2n1Cc1cccc(F)c1 ZINC000037542709 569305272 /nfs/dbraw/zinc/30/52/72/569305272.db2.gz MRUBVHRNIKYXKQ-UHFFFAOYSA-N 0 3 424.339 3.944 50 0 HHAAHN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CCN1CCc2ccccc2C1 ZINC000002325820 569375372 /nfs/dbraw/zinc/37/53/72/569375372.db2.gz JRYJPEHYWQAAEV-UHFFFAOYSA-N 0 3 421.497 3.740 50 0 HHAAHN CCOC(=O)C1C(CNCc2ccc(C)cc2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000055226540 569395043 /nfs/dbraw/zinc/39/50/43/569395043.db2.gz BUMLRLBDPOEDHE-HXUWFJFHSA-N 0 3 413.905 3.609 50 0 HHAAHN Cc1noc(-c2ccc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)s2)c1C ZINC000013353352 569411315 /nfs/dbraw/zinc/41/13/15/569411315.db2.gz VNZQGSYKYKTAAW-UHFFFAOYSA-N 0 3 409.577 3.659 50 0 HHAAHN CC(C(=O)N[C@H]1CCCC[C@H]1C)S(=O)(=O)Cc1csc(-c2cccs2)n1 ZINC000040106192 571166830 /nfs/dbraw/zinc/16/68/30/571166830.db2.gz YGGQQMPCOLDQJG-NFAWXSAZSA-N 0 3 412.602 3.870 50 0 HHAAHN CN(C)CCN(CCc1ccccc1)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000069739696 571242156 /nfs/dbraw/zinc/24/21/56/571242156.db2.gz ABQFAVCMQJBPEN-UHFFFAOYSA-N 0 3 422.573 3.951 50 0 HHAAHN O=C(CCc1nc(-c2ccccc2)no1)NCc1ccccc1CN1CCCCC1 ZINC000009950172 571291439 /nfs/dbraw/zinc/29/14/39/571291439.db2.gz YPUZRDBXXCZXJE-UHFFFAOYSA-N 0 3 404.514 3.972 50 0 HHAAHN CN(C)[C@@H](CNC(=O)C(=O)NCc1ccccc1Cl)c1cccc2ccccc21 ZINC000010333767 571300642 /nfs/dbraw/zinc/30/06/42/571300642.db2.gz YRKNOWPNBXUQSV-NRFANRHFSA-N 0 3 409.917 3.529 50 0 HHAAHN COc1ccccc1[C@@H]1[C@@H]2CN(Cc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N ZINC000033335970 571316240 /nfs/dbraw/zinc/31/62/40/571316240.db2.gz YOBAKVZRCNETJJ-ISKFKSNPSA-N 0 3 421.504 3.621 50 0 HHAAHN Cc1ccc2[nH]c(C(=O)NC[C@H]3CCC4(CCN(Cc5ccncc5)CC4)O3)cc2c1 ZINC000011783005 962188674 /nfs/dbraw/zinc/18/86/74/962188674.db2.gz UONHVQOMXXTMQT-OAQYLSRUSA-N 0 3 418.541 3.815 50 0 HHAAHN COc1ccc(-c2n[nH]cc2CN(C)Cc2cccc(-n3cccn3)c2)c(OC)c1 ZINC000012306588 962269300 /nfs/dbraw/zinc/26/93/00/962269300.db2.gz AQNRILWSWLJIQR-UHFFFAOYSA-N 0 3 403.486 3.912 50 0 HHAAHN O=C(CCc1ccccc1)NC[C@@H]1CCCN(Cc2cc(F)ccc2-n2cccn2)C1 ZINC000012577907 962296388 /nfs/dbraw/zinc/29/63/88/962296388.db2.gz HVQDQGOLDTVFMF-NRFANRHFSA-N 0 3 420.532 3.972 50 0 HHAAHN CC(C)N1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccc(O)cc3)CC2)C1=O ZINC000014733158 962563401 /nfs/dbraw/zinc/56/34/01/962563401.db2.gz NNUHDZLTNDQLHG-UHFFFAOYSA-N 0 3 421.541 3.642 50 0 HHAAHN OCC[C@@H]1CN(Cc2ccc3cccc(F)c3n2)CCN1CCCc1ccccc1 ZINC000020998360 963410247 /nfs/dbraw/zinc/41/02/47/963410247.db2.gz XPRKJELSUPIVKB-HSZRJFAPSA-N 0 3 407.533 3.875 50 0 HHAAHN Cc1oc2c(c1C(=O)NCCN1CCC[C@@H](C)C1)CN(Cc1cccc(F)c1)CC2 ZINC000169750497 970468316 /nfs/dbraw/zinc/46/83/16/970468316.db2.gz OFHVAAPHTISKJI-QGZVFWFLSA-N 0 3 413.537 3.747 50 0 HHAAHN COc1ccc(C(=O)N2CCC(N3C[C@H](OCC4CC4)C34CCCCC4)CC2)cn1 ZINC000169787010 970481953 /nfs/dbraw/zinc/48/19/53/970481953.db2.gz XBCMGJOQYOUFEN-NRFANRHFSA-N 0 3 413.562 3.509 50 0 HHAAHN O=S(=O)(c1c[nH]cn1)N1CCC(N2CC3(CCCCC3)[C@H]2c2ccccc2)CC1 ZINC000169791402 970482976 /nfs/dbraw/zinc/48/29/76/970482976.db2.gz DTZBZXKXBOWDGR-OAQYLSRUSA-N 0 3 414.575 3.570 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)c(C)c2)CC1 ZINC000012608053 132365068 /nfs/dbraw/zinc/36/50/68/132365068.db2.gz ASFFNOZJVWRGNJ-HSZRJFAPSA-N 0 3 423.557 3.947 50 0 HHAAHN CC(C)c1ccc(N2C[C@H](C(=O)NC3CCN(Cc4ccccc4)CC3)CC2=O)cc1 ZINC000040428081 519836753 /nfs/dbraw/zinc/83/67/53/519836753.db2.gz OQDDZKJLDUIAKO-JOCHJYFZSA-N 0 3 419.569 3.944 50 0 HHAAHN CCN1CCN(CCCCNC(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000045271037 521678899 /nfs/dbraw/zinc/67/88/99/521678899.db2.gz AEXCLAVAFSFAHT-SFHVURJKSA-N 0 3 411.015 3.594 50 0 HHAAHN COc1ccc(Br)c(C(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000032399445 523477582 /nfs/dbraw/zinc/47/75/82/523477582.db2.gz PLVLIAXCQYOLEQ-UHFFFAOYSA-N 0 3 403.320 3.636 50 0 HHAAHN COc1ccc(OC)c2c1cc(C(=O)NC1CCN(Cc3ccccc3)CC1)n2C ZINC000072400806 524922623 /nfs/dbraw/zinc/92/26/23/524922623.db2.gz NQPRODYJVJZPBE-UHFFFAOYSA-N 0 3 407.514 3.590 50 0 HHAAHN COc1cccc(-c2nc3cc(OC)c(OC)cc3cc2CN2CCC(O)CC2)c1 ZINC000072419613 525728524 /nfs/dbraw/zinc/72/85/24/525728524.db2.gz LBDAIXRQFVZGMT-UHFFFAOYSA-N 0 3 408.498 3.884 50 0 HHAAHN CC(C(=O)N(C)Cc1ccccc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000032929647 525938340 /nfs/dbraw/zinc/93/83/40/525938340.db2.gz VLRUSKSUTJXXPO-CYBMUJFWSA-N 0 3 400.327 3.955 50 0 HHAAHN CCOc1ccc([C@H](O)Cn2c3ccccc3n(CCN3CCCCC3)c2=N)cc1 ZINC000000845916 557099568 /nfs/dbraw/zinc/09/95/68/557099568.db2.gz MKHUUMRWZZFAQU-HSZRJFAPSA-N 0 3 408.546 3.540 50 0 HHAAHN Cc1c(C(=O)Nc2cccc(F)c2)nnn1-c1cccc2c1CCN(CC1CC1)C2 ZINC000071890372 557314897 /nfs/dbraw/zinc/31/48/97/557314897.db2.gz LDDKDVAIJHJTCT-UHFFFAOYSA-N 0 3 405.477 3.735 50 0 HHAAHN COCC(=O)N(CC(C)C)C[C@@H]1CN(Cc2cccn2C)C[C@@H]1c1cccc(F)c1 ZINC000034740488 557443812 /nfs/dbraw/zinc/44/38/12/557443812.db2.gz VTNILQFEDOEAIB-NZQKXSOJSA-N 0 3 415.553 3.511 50 0 HHAAHN CCOc1c(Cl)c(Cl)ccc1S(=O)(=O)[N-]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000004667034 557578926 /nfs/dbraw/zinc/57/89/26/557578926.db2.gz FOHQZHZDYGDEOI-UHFFFAOYSA-N 0 3 409.379 3.980 50 0 HHAAHN O=C(C1CCN(Cc2cccs2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000004725550 557587244 /nfs/dbraw/zinc/58/72/44/557587244.db2.gz HELKXUKYXWYUMC-XBXARRHUSA-N 0 3 409.599 3.818 50 0 HHAAHN CCc1ccc([C@@H](CNC(=O)CCc2nc(-c3ccc(C)cc3)no2)N(C)C)cc1 ZINC000022684239 557766782 /nfs/dbraw/zinc/76/67/82/557766782.db2.gz FLEJKNYKLONWHG-OAQYLSRUSA-N 0 3 406.530 3.959 50 0 HHAAHN Cc1c(NC(=O)c2ccc(CN3CCCCC3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000010691328 558259944 /nfs/dbraw/zinc/25/99/44/558259944.db2.gz UNWZRYGLMIONRB-UHFFFAOYSA-N 0 3 404.514 3.723 50 0 HHAAHN Cc1ccc(CN2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)o1 ZINC000011706258 558270785 /nfs/dbraw/zinc/27/07/85/558270785.db2.gz PRLKWGCKHYEYAG-HSZRJFAPSA-N 0 3 409.574 3.925 50 0 HHAAHN CN(CCc1ccccc1)[C@H]1CCCN(C(=O)c2cnc(CN3CCCC3)s2)C1 ZINC000011704784 558270822 /nfs/dbraw/zinc/27/08/22/558270822.db2.gz OJBGQDBVLRNHQS-FQEVSTJZSA-N 0 3 412.603 3.518 50 0 HHAAHN O=C(Cc1ccc(Cl)cc1)NC[C@H]1CCC2(CCN(Cc3cccnc3)CC2)O1 ZINC000011791348 558277470 /nfs/dbraw/zinc/27/74/70/558277470.db2.gz RRVWRRANJGHBQX-OAQYLSRUSA-N 0 3 413.949 3.608 50 0 HHAAHN NS(=O)(=O)c1ccc(CCNCc2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 ZINC000019872510 558299780 /nfs/dbraw/zinc/29/97/80/558299780.db2.gz XUXCUJYBPNTDDZ-UHFFFAOYSA-N 0 3 408.882 3.719 50 0 HHAAHN CN1CCC(C(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)(c2ccccc2)CC1 ZINC000011954594 558303377 /nfs/dbraw/zinc/30/33/77/558303377.db2.gz VUOVPTGPSWPJRB-JOCHJYFZSA-N 0 3 409.549 3.570 50 0 HHAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000019924935 558307685 /nfs/dbraw/zinc/30/76/85/558307685.db2.gz CFUXHNZAIVTBNF-UHFFFAOYSA-N 0 3 405.464 3.643 50 0 HHAAHN COc1ccc2[nH]c(C(=O)N(C)[C@H]3CCCN(C4Cc5ccccc5C4)C3)cc2c1 ZINC000012022971 558309732 /nfs/dbraw/zinc/30/97/32/558309732.db2.gz CNSWBOOMQXSKLS-FQEVSTJZSA-N 0 3 403.526 3.880 50 0 HHAAHN CCn1ncc(CN2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1C ZINC000020109475 558334702 /nfs/dbraw/zinc/33/47/02/558334702.db2.gz KQPOQBPHKVAOMU-QFIPXVFZSA-N 0 3 401.986 3.651 50 0 HHAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)c1cc(C)oc1C ZINC000012223769 558356852 /nfs/dbraw/zinc/35/68/52/558356852.db2.gz SWSAJXTVMGPFOW-UHFFFAOYSA-N 0 3 414.546 3.906 50 0 HHAAHN CCCCN(C)C(=O)c1nc2ccccn2c1CNCCn1ccc2ccccc21 ZINC000020449171 558364308 /nfs/dbraw/zinc/36/43/08/558364308.db2.gz KJJPBSTYBZMQKM-UHFFFAOYSA-N 0 3 403.530 3.951 50 0 HHAAHN Cc1c(CN[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000020472438 558374205 /nfs/dbraw/zinc/37/42/05/558374205.db2.gz DHPXLLJFSCFCJR-NRFANRHFSA-N 0 3 424.976 3.892 50 0 HHAAHN CCOc1cc2c(cc1OC)[C@H](c1cccc(I)c1)NCC2 ZINC000020506553 558381389 /nfs/dbraw/zinc/38/13/89/558381389.db2.gz UPDPAIJDTMGEDP-SFHVURJKSA-N 0 3 409.267 3.934 50 0 HHAAHN CCCCN1C(=O)C(CC(=O)Nc2ccc3c(c2)OCCO3)n2c3ccccc3nc21 ZINC000020726636 558404949 /nfs/dbraw/zinc/40/49/49/558404949.db2.gz XGLVNVOKHXLYEP-SFHVURJKSA-N 0 3 420.469 3.524 50 0 HHAAHN CCCCN1C(=O)C(CC(=O)Nc2ccc(NC(C)=O)cc2)n2c3ccccc3nc21 ZINC000020729569 558406008 /nfs/dbraw/zinc/40/60/08/558406008.db2.gz KWWHVULOVCGXOD-HXUWFJFHSA-N 0 3 419.485 3.711 50 0 HHAAHN Cc1nn(-c2ncccn2)c2c1C(C(=O)c1ccc(Br)cc1)CC(=O)N2 ZINC000020730858 558406686 /nfs/dbraw/zinc/40/66/86/558406686.db2.gz ZGRHHLCWWYBALD-ZDUSSCGKSA-N 0 3 412.247 3.691 50 0 HHAAHN O=C(N[C@H]1CCCN(CCCc2ccccc2)C1)C1CCN(Cc2ccco2)CC1 ZINC000012755065 558459933 /nfs/dbraw/zinc/45/99/33/558459933.db2.gz VAZLHZAFMINZAC-QHCPKHFHSA-N 0 3 409.574 3.705 50 0 HHAAHN O=C1[C@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000012953175 558488213 /nfs/dbraw/zinc/48/82/13/558488213.db2.gz DVBZCJRJEDPHLH-VAMGGRTRSA-N 0 3 405.841 3.786 50 0 HHAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccncc3)[C@H]2C(=O)N1c1ccccc1Cl ZINC000012953175 558488215 /nfs/dbraw/zinc/48/82/15/558488215.db2.gz DVBZCJRJEDPHLH-VAMGGRTRSA-N 0 3 405.841 3.786 50 0 HHAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(O)c3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000013513246 558536117 /nfs/dbraw/zinc/53/61/17/558536117.db2.gz IGUTXHYMHKWJIM-QHAWAJNXSA-N 0 3 404.397 3.582 50 0 HHAAHN COc1ccccc1N1CCN([C@H]2CCCN(Cc3cn(C)c4ccccc34)C2)CC1 ZINC000023374867 558554404 /nfs/dbraw/zinc/55/44/04/558554404.db2.gz JDAMHLWBJLUCAM-QFIPXVFZSA-N 0 3 418.585 3.974 50 0 HHAAHN COCCCN1C(=O)C(CC(=O)Nc2cc(C)cc(C)c2)n2c3ccccc3nc21 ZINC000023411212 558557346 /nfs/dbraw/zinc/55/73/46/558557346.db2.gz OBFBSDMDGRDHBG-FQEVSTJZSA-N 0 3 406.486 3.606 50 0 HHAAHN Cc1cc2ncn(CN3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)c2cc1C ZINC000023853957 558577942 /nfs/dbraw/zinc/57/79/42/558577942.db2.gz OZANQDJIQJVHIA-UHFFFAOYSA-N 0 3 406.486 3.690 50 0 HHAAHN CCOc1cc2c(cc1CNC[C@H](c1cccs1)N1CCOCC1)O[C@@H](C)C2 ZINC000024763089 558611259 /nfs/dbraw/zinc/61/12/59/558611259.db2.gz SFCMUGLNFWUXPT-QFBILLFUSA-N 0 3 402.560 3.633 50 0 HHAAHN C[C@@H](N[C@@H](C)C(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccc2c(c1)CCCC2 ZINC000014196731 558633630 /nfs/dbraw/zinc/63/36/30/558633630.db2.gz UQBAAAKAGLBXOU-KGLIPLIRSA-N 0 3 411.571 3.892 50 0 HHAAHN CSc1ccc(N2C[C@H](C(=O)NC[C@@H](c3ccccc3)N3CCCC3)CC2=O)cc1 ZINC000025287798 558636832 /nfs/dbraw/zinc/63/68/32/558636832.db2.gz NBIGYDWDHMZCJE-KNQAVFIVSA-N 0 3 423.582 3.715 50 0 HHAAHN CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](N(C)Cc1cccs1)C2 ZINC000014751272 558670924 /nfs/dbraw/zinc/67/09/24/558670924.db2.gz ACUFXTKWODORDE-KRWDZBQOSA-N 0 3 400.592 3.970 50 0 HHAAHN Cc1nn(C)c2nc(C3CC3)cc(C(=O)NC[C@H](c3cccs3)N3CCCC3)c12 ZINC000027608032 558677367 /nfs/dbraw/zinc/67/73/67/558677367.db2.gz OWJOZEKWUJBHCE-GOSISDBHSA-N 0 3 409.559 3.783 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4C)cc2)CC1 ZINC000014900027 558678402 /nfs/dbraw/zinc/67/84/02/558678402.db2.gz CHSOOHDEIXHQQY-UHFFFAOYSA-N 0 3 418.545 3.548 50 0 HHAAHN COc1cc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCCC2)cc(OC)c1OC ZINC000027664540 558679646 /nfs/dbraw/zinc/67/96/46/558679646.db2.gz QATKODMGOIIRMB-HXUWFJFHSA-N 0 3 412.530 3.978 50 0 HHAAHN Cc1cnc(C(=O)N(C)C[C@@H]2CCCN(CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000014978801 558690420 /nfs/dbraw/zinc/69/04/20/558690420.db2.gz MNYMXSNDUNATRN-SFHVURJKSA-N 0 3 420.479 3.831 50 0 HHAAHN CN(C)C[C@@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1ccccc1 ZINC000028971547 558708202 /nfs/dbraw/zinc/70/82/02/558708202.db2.gz JRWNHMFFAXYRSQ-AEFFLSMTSA-N 0 3 403.935 3.562 50 0 HHAAHN COc1ccc([C@@H](CC(=O)N2CCN(c3ccncc3)CC2)c2ccccc2)cc1 ZINC000015065651 558708567 /nfs/dbraw/zinc/70/85/67/558708567.db2.gz JEXNCZWKAMATON-DEOSSOPVSA-N 0 3 401.510 3.961 50 0 HHAAHN Cc1ccc(OCc2cc(C(=O)NCCN3CCC[C@H](c4ccccc4)C3)no2)cn1 ZINC000015069333 558711641 /nfs/dbraw/zinc/71/16/41/558711641.db2.gz CKZVSHYEGODUDV-FQEVSTJZSA-N 0 3 420.513 3.566 50 0 HHAAHN O=C(CC1C(=O)N(Cc2ccco2)c2nc3ccccc3n21)Nc1ccc(F)cc1 ZINC000030937523 558744863 /nfs/dbraw/zinc/74/48/63/558744863.db2.gz MPDQKLDKOCYHHY-LJQANCHMSA-N 0 3 404.401 3.885 50 0 HHAAHN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(O)cc1)N(CCCN(C)C)C3=O ZINC000016742009 558803902 /nfs/dbraw/zinc/80/39/02/558803902.db2.gz ZGCJTSMEYHSXEW-OAQYLSRUSA-N 0 3 406.482 3.612 50 0 HHAAHN CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)NCCN3CCCCCC3)c2)C1 ZINC000033035977 558860034 /nfs/dbraw/zinc/86/00/34/558860034.db2.gz UTVVONGCPYEHQT-QFIPXVFZSA-N 0 3 414.594 3.590 50 0 HHAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000023017978 558863101 /nfs/dbraw/zinc/86/31/01/558863101.db2.gz PVKGRKAVVYKXCX-PMACEKPBSA-N 0 3 411.571 3.554 50 0 HHAAHN O=C(c1ccccc1OC1CCN(Cc2cccc3nonc32)CC1)N1CCCCC1 ZINC000055342516 558879669 /nfs/dbraw/zinc/87/96/69/558879669.db2.gz JCOOSFTXHBZNHF-UHFFFAOYSA-N 0 3 420.513 3.892 50 0 HHAAHN Cc1cccc(N2CCN(CC[C@H](C)NCc3csc(-c4ncccn4)n3)CC2)c1 ZINC000057992866 558893276 /nfs/dbraw/zinc/89/32/76/558893276.db2.gz OPWBSVGAIRGHIH-IBGZPJMESA-N 0 3 422.602 3.599 50 0 HHAAHN CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1[C@@H](N)[C@@H]2OCc1cccnc1 ZINC000072168235 558930485 /nfs/dbraw/zinc/93/04/85/558930485.db2.gz QGFQRYGVDYHEIG-RTWAWAEBSA-N 0 3 409.530 3.949 50 0 HHAAHN Fc1ccccc1N1CCN([C@@H]2CCCN(Cc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000019595658 558946105 /nfs/dbraw/zinc/94/61/05/558946105.db2.gz SCFVVOFWRWKQKG-HSZRJFAPSA-N 0 3 419.548 3.798 50 0 HHAAHN CCN1CCC[C@H]1CNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915081 558971678 /nfs/dbraw/zinc/97/16/78/558971678.db2.gz VOYWHIUYUMJRRO-SFHVURJKSA-N 0 3 420.557 3.737 50 0 HHAAHN OC[C@]1(O)CCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)CCC4)C1 ZINC000072434397 558979869 /nfs/dbraw/zinc/97/98/69/558979869.db2.gz JJDSZQQAZDKSEI-DEOSSOPVSA-N 0 3 408.929 3.973 50 0 HHAAHN O[C@H]1CCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)CCC4)C[C@@H]1O ZINC000072456726 558983111 /nfs/dbraw/zinc/98/31/11/558983111.db2.gz PWFOGNNAXYIVQQ-GOTSBHOMSA-N 0 3 408.929 3.971 50 0 HHAAHN O=C(NCc1nc(-c2cccc(Cl)c2)no1)C1CCN(Cc2ccccc2)CC1 ZINC000067602134 558987867 /nfs/dbraw/zinc/98/78/67/558987867.db2.gz IWWJNABSKNYOMP-UHFFFAOYSA-N 0 3 410.905 3.918 50 0 HHAAHN COc1ccc(Cl)cc1S(=O)(=O)NCC1CCN(Cc2ccccc2)CC1 ZINC000023127657 559016039 /nfs/dbraw/zinc/01/60/39/559016039.db2.gz SVXFUTCZEHYCMH-UHFFFAOYSA-N 0 3 408.951 3.539 50 0 HHAAHN CCOC(=O)C1(c2ccccc2)CCN(CCC(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000004784108 559062958 /nfs/dbraw/zinc/06/29/58/559062958.db2.gz PAGYGLFOHMKESE-FQEVSTJZSA-N 0 3 420.553 3.951 50 0 HHAAHN COc1ccc([C@@H]2[C@@H](COC(=O)CCCNC(=O)OC(C)(C)C)CCCN2C)cc1 ZINC000072289683 559077700 /nfs/dbraw/zinc/07/77/00/559077700.db2.gz UYCUZMNLVLTQNF-WIYYLYMNSA-N 0 3 420.550 3.926 50 0 HHAAHN CCOC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C1CC(=O)Nc1ccc(F)cc1 ZINC000100255545 559133388 /nfs/dbraw/zinc/13/33/88/559133388.db2.gz DOTBKKGDHAEVOJ-GOSISDBHSA-N 0 3 414.408 3.794 50 0 HHAAHN COC[C@H](NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000252537338 559278343 /nfs/dbraw/zinc/27/83/43/559278343.db2.gz KYRLKKDTSBXEHV-ACRUOGEOSA-N 0 3 408.464 3.618 50 0 HHAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccnc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000018009938 560750184 /nfs/dbraw/zinc/75/01/84/560750184.db2.gz TVDUNKYDUZOHKX-HSALFYBXSA-N 0 3 405.841 3.786 50 0 HHAAHN CCN(CC)[C@H](CNC(=O)c1nc(C)n(-c2ccc(F)cc2)n1)c1ccsc1 ZINC000046688606 560803914 /nfs/dbraw/zinc/80/39/14/560803914.db2.gz JYSIQEILCUVNTE-GOSISDBHSA-N 0 3 401.511 3.589 50 0 HHAAHN O=C(C1[C@@H](c2ccc(Cl)cc2)NC(=S)N[C@]1(O)c1cccs1)C(F)(F)F ZINC000102136494 560808140 /nfs/dbraw/zinc/80/81/40/560808140.db2.gz URVYXSNHCSJDJP-ZOWXZIJZSA-N 0 3 420.865 3.513 50 0 HHAAHN COc1cccc(OC)c1C(=O)C1CC(=O)Nc2c1c(C)nn2-c1ccc(F)cc1 ZINC000046057636 568426256 /nfs/dbraw/zinc/42/62/56/568426256.db2.gz GTXHTHVXWNUFEG-HNNXBMFYSA-N 0 3 409.417 3.646 50 0 HHAAHN COc1cccc(OC)c1C(=O)C1CC(=O)Nc2c1c(C)nn2-c1cccc(F)c1 ZINC000046057689 568426261 /nfs/dbraw/zinc/42/62/61/568426261.db2.gz JWNZEFQPRLQHTG-HNNXBMFYSA-N 0 3 409.417 3.646 50 0 HHAAHN CC(=O)N[C@@H](CC(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccc(Cl)cc1 ZINC000048325189 568438487 /nfs/dbraw/zinc/43/84/87/568438487.db2.gz FUIFTEFFDDYBPW-FCHUYYIVSA-N 0 3 413.949 3.861 50 0 HHAAHN CCN1CCN(CCCN(Cc2ccco2)C(=S)Nc2ccccc2C)CC1 ZINC000020107606 568588105 /nfs/dbraw/zinc/58/81/05/568588105.db2.gz RYKNQNDAGYESOJ-UHFFFAOYSA-N 0 3 400.592 3.815 50 0 HHAAHN O=c1oc2ccccc2c(N2CCN(Cc3ccccc3)CC2)c1CN1CCCC1 ZINC000020177668 568592841 /nfs/dbraw/zinc/59/28/41/568592841.db2.gz VKLLMHIIDXXCGP-UHFFFAOYSA-N 0 3 403.526 3.711 50 0 HHAAHN CC[C@@H](O)CN1CCC(NC(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)CC1 ZINC000095443123 568611144 /nfs/dbraw/zinc/61/11/44/568611144.db2.gz WZYITKXFJSVTIT-HXUWFJFHSA-N 0 3 420.573 3.951 50 0 HHAAHN COc1ccc([C@H](CN2CCCC2)NC(=O)Cc2ccccc2Br)cc1 ZINC000095456459 568617639 /nfs/dbraw/zinc/61/76/39/568617639.db2.gz BYJXGCWZUWJDJV-FQEVSTJZSA-N 0 3 417.347 3.954 50 0 HHAAHN COc1ccc(CC[C@H](C)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1O ZINC000225424947 568636973 /nfs/dbraw/zinc/63/69/73/568636973.db2.gz KOLIAGFBCDOCRP-UGSOOPFHSA-N 0 3 406.885 3.910 50 0 HHAAHN COc1ccc(CC[C@@H](C)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1O ZINC000225424983 568637043 /nfs/dbraw/zinc/63/70/43/568637043.db2.gz KOLIAGFBCDOCRP-ACJLOTCBSA-N 0 3 406.885 3.910 50 0 HHAAHN COc1ccc(NC(=O)NCC2CCN(Cc3ccc(F)cc3)CC2)c(OC)c1 ZINC000020851321 568644975 /nfs/dbraw/zinc/64/49/75/568644975.db2.gz GDTTTXLZGUUOSB-UHFFFAOYSA-N 0 3 401.482 3.877 50 0 HHAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccncc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000229994054 568716523 /nfs/dbraw/zinc/71/65/23/568716523.db2.gz LRKJNSYVFCUHII-XUVXKRRUSA-N 0 3 405.841 3.786 50 0 HHAAHN CCN1CCN(c2ccc(N[C@@H](C)C(=O)Nc3c(F)cccc3F)c(C)c2)CC1 ZINC000056170312 568790640 /nfs/dbraw/zinc/79/06/40/568790640.db2.gz MIBYCEMNQJYRSY-INIZCTEOSA-N 0 3 402.489 3.854 50 0 HHAAHN COc1ccc(-c2nnc(SCCNC[C@H](O)c3ccccc3)n2C(C)C)cc1 ZINC000002639100 568793073 /nfs/dbraw/zinc/79/30/73/568793073.db2.gz PAXXBCBXXNJBOP-FQEVSTJZSA-N 0 3 412.559 3.950 50 0 HHAAHN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC1CCN(C2CC2)CC1 ZINC000029095485 568819150 /nfs/dbraw/zinc/81/91/50/568819150.db2.gz HKMSOGYERZKQGD-LLVKDONJSA-N 0 3 401.732 3.613 50 0 HHAAHN CC[C@@H](C)c1ccc([C@@H](NCC(=O)N2CCN(c3ncccn3)CC2)C(C)C)cc1 ZINC000057455980 568837848 /nfs/dbraw/zinc/83/78/48/568837848.db2.gz WCBDYUKMTXXBEI-XXBNENTESA-N 0 3 409.578 3.626 50 0 HHAAHN CCCCn1cnc2sc3c(c2c1=O)CC[C@@H](NCc1cn2cc(C)ccc2n1)C3 ZINC000299768137 568874016 /nfs/dbraw/zinc/87/40/16/568874016.db2.gz GKPNNWHLTJIBRE-MRXNPFEDSA-N 0 3 421.570 3.861 50 0 HHAAHN CCc1ccc([C@H](CNC(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)N(C)C)cc1 ZINC000012797631 568976434 /nfs/dbraw/zinc/97/64/34/568976434.db2.gz RGAMGITUBPYRQM-FCHUYYIVSA-N 0 3 413.537 3.562 50 0 HHAAHN CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccc(O)c1 ZINC000008373810 568995693 /nfs/dbraw/zinc/99/56/93/568995693.db2.gz GYJIKZSVKGJYOI-IBGZPJMESA-N 0 3 412.873 3.649 50 0 HHAAHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000008389213 568996592 /nfs/dbraw/zinc/99/65/92/568996592.db2.gz VSQUHFUUDYDCMA-QFIPXVFZSA-N 0 3 423.520 3.939 50 0 HHAAHN CCOC(=O)c1[nH]c(C)c(CCC(=O)NC2CCN(Cc3ccccc3)CC2)c1C ZINC000035447482 569037368 /nfs/dbraw/zinc/03/73/68/569037368.db2.gz QCQKOXHVIMHHGO-UHFFFAOYSA-N 0 3 411.546 3.522 50 0 HHAAHN COCCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2cccc(C)c2)CC1 ZINC000064666616 569078416 /nfs/dbraw/zinc/07/84/16/569078416.db2.gz LTHJGBOKQVDANR-UHFFFAOYSA-N 0 3 419.569 3.973 50 0 HHAAHN O=C(NC1CCN(Cc2ccccc2)CC1)C1=CCN(Cc2cccc(F)c2)CC1 ZINC000064818074 569101157 /nfs/dbraw/zinc/10/11/57/569101157.db2.gz LRVXBOVWYXXPLR-UHFFFAOYSA-N 0 3 407.533 3.739 50 0 HHAAHN CCCN(CCC)CCNC(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 ZINC000006808394 569132573 /nfs/dbraw/zinc/13/25/73/569132573.db2.gz SSWOVLRBMHFTRC-UHFFFAOYSA-N 0 3 406.573 3.554 50 0 HHAAHN C[C@@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)NCCN1CCC(C)CC1 ZINC000065031758 569157569 /nfs/dbraw/zinc/15/75/69/569157569.db2.gz IKBWCODKSATGDS-LJQANCHMSA-N 0 3 418.541 3.912 50 0 HHAAHN CSc1ncc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(C(F)(F)F)n1 ZINC000006938365 569185294 /nfs/dbraw/zinc/18/52/94/569185294.db2.gz RCIBADDPADQHRT-UHFFFAOYSA-N 0 3 410.465 3.612 50 0 HHAAHN c1cc(N2CCCCCC2)ncc1-c1noc(CN2CCN(C3CCCCC3)CC2)n1 ZINC000065216244 569197724 /nfs/dbraw/zinc/19/77/24/569197724.db2.gz WBZRMLUAKUMUFK-UHFFFAOYSA-N 0 3 424.593 3.962 50 0 HHAAHN COc1ccc([C@@H](NCCn2ccnc2)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000170606801 569244761 /nfs/dbraw/zinc/24/47/61/569244761.db2.gz LCQZLOFGCQDHQS-VQTJNVASSA-N 0 3 400.523 3.622 50 0 HHAAHN COC[C@H](NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000252537341 569293011 /nfs/dbraw/zinc/29/30/11/569293011.db2.gz KYRLKKDTSBXEHV-NJYVYQBISA-N 0 3 408.464 3.618 50 0 HHAAHN O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(N2CCNCC2)cn1 ZINC000170676734 569297891 /nfs/dbraw/zinc/29/78/91/569297891.db2.gz QNHVVUFWZKRNEG-UHFFFAOYSA-N 0 3 411.358 3.670 50 0 HHAAHN Cc1cc(S(=O)(=O)[N-]C2CC(C)(C)[NH2+]C(C)(C)C2)c(Cl)cc1Br ZINC000231422281 569359754 /nfs/dbraw/zinc/35/97/54/569359754.db2.gz JRTSABAGBPYAHA-UHFFFAOYSA-N 0 3 423.804 3.998 50 0 HHAAHN CC1(C)CCCN(CC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)C1 ZINC000002310144 569372819 /nfs/dbraw/zinc/37/28/19/569372819.db2.gz SZGXHZNUQUZZEZ-UHFFFAOYSA-N 0 3 404.352 3.937 50 0 HHAAHN CCOc1c(F)cccc1C(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000079026005 569424920 /nfs/dbraw/zinc/42/49/20/569424920.db2.gz YLJJQYSXDGBWDT-QFIPXVFZSA-N 0 3 414.521 3.742 50 0 HHAAHN Cn1c(CN2CCCCCC2)cc(=O)c(O)c1CN1CCC(Cc2ccccc2)CC1 ZINC000079496006 569432880 /nfs/dbraw/zinc/43/28/80/569432880.db2.gz QCIGWHXBUZXXDG-UHFFFAOYSA-N 0 3 423.601 3.922 50 0 HHAAHN CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000008619699 571096528 /nfs/dbraw/zinc/09/65/28/571096528.db2.gz BNEGSXFLQWONTO-QFIPXVFZSA-N 0 3 420.509 3.997 50 0 HHAAHN CC(C)(C)OC(=O)N1CCC(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000040012823 571138413 /nfs/dbraw/zinc/13/84/13/571138413.db2.gz WCIOAKZLHYWJQW-HXUWFJFHSA-N 0 3 401.551 3.587 50 0 HHAAHN CC(C(=O)NCC1CCCCC1)S(=O)(=O)Cc1csc(-c2cccs2)n1 ZINC000040106197 571166907 /nfs/dbraw/zinc/16/69/07/571166907.db2.gz NDSDCYDTDJASCZ-CYBMUJFWSA-N 0 3 412.602 3.871 50 0 HHAAHN C[C@@H]1CCCCN1CCNC(=O)CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 ZINC000245328320 571225215 /nfs/dbraw/zinc/22/52/15/571225215.db2.gz NBYGLADCNQZALG-RTBURBONSA-N 0 3 418.557 3.840 50 0 HHAAHN CCN(CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1cccnc1 ZINC000009328279 571248270 /nfs/dbraw/zinc/24/82/70/571248270.db2.gz UXQQYEXAGGMUCK-NRFANRHFSA-N 0 3 405.498 3.692 50 0 HHAAHN CCN(CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1c1cccnc1 ZINC000009328276 571248318 /nfs/dbraw/zinc/24/83/18/571248318.db2.gz UXQQYEXAGGMUCK-OAQYLSRUSA-N 0 3 405.498 3.692 50 0 HHAAHN CCN1CCN(Cc2ccc(CNc3nn4cc(C(C)(C)C)nc4s3)cc2)CC1 ZINC000069982269 571252487 /nfs/dbraw/zinc/25/24/87/571252487.db2.gz RZJJOBQRYHSENP-UHFFFAOYSA-N 0 3 412.607 3.838 50 0 HHAAHN CCN(CC)CCN(C(=O)Cc1ccc2c(c1)OCO2)c1nc2ccccc2s1 ZINC000009520943 571265690 /nfs/dbraw/zinc/26/56/90/571265690.db2.gz DJEXRHAEFWWEAJ-UHFFFAOYSA-N 0 3 411.527 3.943 50 0 HHAAHN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1ccc(CN2CCCC2)cc1 ZINC000010100651 571294956 /nfs/dbraw/zinc/29/49/56/571294956.db2.gz UBFQPLWRBFHEEZ-UHFFFAOYSA-N 0 3 416.525 3.584 50 0 HHAAHN COc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000010233153 571297545 /nfs/dbraw/zinc/29/75/45/571297545.db2.gz RNHDBBGKQGFRKK-QFIPXVFZSA-N 0 3 420.509 3.915 50 0 HHAAHN COc1ccccc1NC(=O)C(=O)NC[C@H](c1cccc2ccccc21)N1CCCC1 ZINC000010334202 571300859 /nfs/dbraw/zinc/30/08/59/571300859.db2.gz FOYIGQDNKVGXQK-JOCHJYFZSA-N 0 3 417.509 3.740 50 0 HHAAHN Cc1cnc(CN[C@H]2CCc3c(sc4ncn(CC5CCCCC5)c(=O)c43)C2)cn1 ZINC000015071096 962647578 /nfs/dbraw/zinc/64/75/78/962647578.db2.gz QRJHFUKJIFEOHL-KRWDZBQOSA-N 0 3 423.586 3.784 50 0 HHAAHN c1nn(-c2ccccc2)cc1CN1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020908875 963403192 /nfs/dbraw/zinc/40/31/92/963403192.db2.gz XMMHMPYAMMSWSM-VWLOTQADSA-N 0 3 401.558 3.659 50 0 HHAAHN CCOc1ccccc1/C=C\C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000097073384 969087370 /nfs/dbraw/zinc/08/73/70/969087370.db2.gz QUBBCURFVWRKFZ-YPKPFQOOSA-N 0 3 407.558 3.552 50 0 HHAAHN O=c1c2c(nc(N3CCNCC3)n1-c1cccc(Cl)c1)sc1c2CCCCC1 ZINC000002229826 132250002 /nfs/dbraw/zinc/25/00/02/132250002.db2.gz JQLLEKNEKUUEGZ-UHFFFAOYSA-N 0 3 414.962 3.779 50 0 HHAAHN CCc1nc(C)c(CN2CCC(CCC(=O)N3CCN(c4ccccc4)CC3)CC2)[nH]1 ZINC000011818857 132350996 /nfs/dbraw/zinc/35/09/96/132350996.db2.gz VYROOMWPOJHMTH-UHFFFAOYSA-N 0 3 423.605 3.622 50 0 HHAAHN CCN1CCN(c2nc3cc4c(cc3cc2CNCc2ccccc2F)OCO4)CC1 ZINC000011964500 132352712 /nfs/dbraw/zinc/35/27/12/132352712.db2.gz IUMPKJBEJHBEJB-UHFFFAOYSA-N 0 3 422.504 3.534 50 0 HHAAHN CC(C)n1cc(CN2CCC(CCC(=O)N3CCN(c4ccccc4)CC3)CC2)cn1 ZINC000012303954 132358202 /nfs/dbraw/zinc/35/82/02/132358202.db2.gz CYRYFMITIZUDSC-UHFFFAOYSA-N 0 3 423.605 3.805 50 0 HHAAHN Cc1cc(C)cc(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c1 ZINC000020599875 524382679 /nfs/dbraw/zinc/38/26/79/524382679.db2.gz LNHTVYXMFKWMCQ-QFIPXVFZSA-N 0 3 421.545 3.673 50 0 HHAAHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN(C)Cc1ccc2c(c1)OCO2 ZINC000032870858 527544643 /nfs/dbraw/zinc/54/46/43/527544643.db2.gz ZHRPDALSXSXBLM-UHFFFAOYSA-N 0 3 406.486 3.678 50 0 HHAAHN CCN1CCN(c2ccc(N[C@H](C)C(=O)Nc3cc(F)ccc3F)c(C)c2)CC1 ZINC000012544435 535748519 /nfs/dbraw/zinc/74/85/19/535748519.db2.gz WXMSJORXFWJBRA-MRXNPFEDSA-N 0 3 402.489 3.854 50 0 HHAAHN CCc1nc2c3cc4c(nc3sc2c(=O)n1CCN(CC)CC)CC(C)(C)OC4 ZINC000002347296 557339020 /nfs/dbraw/zinc/33/90/20/557339020.db2.gz TVENUVYAZPGIJN-UHFFFAOYSA-N 0 3 414.575 3.762 50 0 HHAAHN COc1cc(-c2nc(C(=O)NCCN(C)C)cs2)ccc1OCc1ccccc1 ZINC000034712292 557391996 /nfs/dbraw/zinc/39/19/96/557391996.db2.gz STTQEVPJTQGYBG-UHFFFAOYSA-N 0 3 411.527 3.689 50 0 HHAAHN COc1cc(CNC[C@H]2CCCO2)cc(Br)c1OCc1cccnc1 ZINC000004942943 557615421 /nfs/dbraw/zinc/61/54/21/557615421.db2.gz CIQWPSUGWIIBGU-MRXNPFEDSA-N 0 3 407.308 3.700 50 0 HHAAHN COC(=O)c1ccc(OC[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000005022407 557626786 /nfs/dbraw/zinc/62/67/86/557626786.db2.gz QLBVCVLDEMIUFX-QHCPKHFHSA-N 0 3 405.494 3.915 50 0 HHAAHN O[C@@H](CNC(c1ccccc1)c1ccccc1)COc1ccc(-c2nnco2)cc1 ZINC000005646983 557666397 /nfs/dbraw/zinc/66/63/97/557666397.db2.gz ABNFXKHGHIDLGX-NRFANRHFSA-N 0 3 401.466 3.856 50 0 HHAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)c1cc2ccccc2oc1=O ZINC000011769190 558274076 /nfs/dbraw/zinc/27/40/76/558274076.db2.gz NBJRZGOWEOEDFZ-UHFFFAOYSA-N 0 3 422.500 3.959 50 0 HHAAHN Cc1c(CN2CCC3(C[C@H]3C(=O)NCC3(c4ccccc4)CCCC3)CC2)cnn1C ZINC000011838752 558285582 /nfs/dbraw/zinc/28/55/82/558285582.db2.gz AEUHSIFOSQAFKF-QHCPKHFHSA-N 0 3 420.601 3.959 50 0 HHAAHN COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1OC ZINC000011842946 558287946 /nfs/dbraw/zinc/28/79/46/558287946.db2.gz YMNRNSCDGQBGTR-MRXNPFEDSA-N 0 3 402.457 3.512 50 0 HHAAHN O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1ccc(Br)cc1 ZINC000019850915 558295619 /nfs/dbraw/zinc/29/56/19/558295619.db2.gz VZYBTTCYZOSEFH-UHFFFAOYSA-N 0 3 402.336 3.596 50 0 HHAAHN Cc1nc2ccccc2n1CCC(=O)N1CCC[C@@H](N(C)CCc2ccccc2)C1 ZINC000011933631 558298195 /nfs/dbraw/zinc/29/81/95/558298195.db2.gz BIGDQSQTTORBCH-JOCHJYFZSA-N 0 3 404.558 3.900 50 0 HHAAHN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CNCCc1ccc(O)cc1 ZINC000019866427 558298880 /nfs/dbraw/zinc/29/88/80/558298880.db2.gz PKTPTWIUPIAVEP-UHFFFAOYSA-N 0 3 406.530 3.697 50 0 HHAAHN Cc1nn(C)c(C)c1CCC(=O)N1CC[C@]2(C1)CCCN(Cc1cccc(C)c1)C2 ZINC000011948159 558302532 /nfs/dbraw/zinc/30/25/32/558302532.db2.gz IKLPMBQMSIWNOA-RUZDIDTESA-N 0 3 408.590 3.793 50 0 HHAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1=CCCCC1 ZINC000011996959 558306897 /nfs/dbraw/zinc/30/68/97/558306897.db2.gz NDGZXZRUORZAKD-HXUWFJFHSA-N 0 3 401.570 3.928 50 0 HHAAHN CCn1nc(CC(C)C)cc1C(=O)N(C)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012314968 558378274 /nfs/dbraw/zinc/37/82/74/558378274.db2.gz VUTCKPSHDYQOAX-JOCHJYFZSA-N 0 3 408.590 3.805 50 0 HHAAHN Cc1ccc(NC(=O)CCN2CCN(Cc3ccccc3)CC2)cc1Br ZINC000020494433 558379738 /nfs/dbraw/zinc/37/97/38/558379738.db2.gz AQHCTANDSZTGJK-UHFFFAOYSA-N 0 3 416.363 3.904 50 0 HHAAHN CCc1ccccc1N1C(=O)c2ccccc2/C(=C\NC[C@@H]2CCCN2CC)C1=O ZINC000020518242 558383436 /nfs/dbraw/zinc/38/34/36/558383436.db2.gz VLSUTUTZNVHOCL-WXNAFCGMSA-N 0 3 403.526 3.851 50 0 HHAAHN CCN1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000020518096 558383532 /nfs/dbraw/zinc/38/35/32/558383532.db2.gz LZMKBTCUMPSQLV-NGIIGVMLSA-N 0 3 403.526 3.905 50 0 HHAAHN COc1ccc(CCC(=O)N(C)[C@H]2CCCN(CCc3ccccc3)C2)cc1OC ZINC000012439070 558410612 /nfs/dbraw/zinc/41/06/12/558410612.db2.gz SLLDGWIEDGBANQ-QFIPXVFZSA-N 0 3 410.558 3.802 50 0 HHAAHN O=c1ccc(-c2ccccc2)nn1CCNCc1c[nH]nc1-c1cc2ccccc2o1 ZINC000020779349 558412534 /nfs/dbraw/zinc/41/25/34/558412534.db2.gz GCMBZIWXNMUUER-UHFFFAOYSA-N 0 3 411.465 3.836 50 0 HHAAHN CC(C)Cc1cc(C(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)[nH]n1 ZINC000012444880 558413526 /nfs/dbraw/zinc/41/35/26/558413526.db2.gz CMAZCNBUZBYIAW-UHFFFAOYSA-N 0 3 400.542 3.774 50 0 HHAAHN COCCNC(=O)c1cccc(OC2CCN(Cc3ccnc4ccccc34)CC2)c1 ZINC000012448805 558415573 /nfs/dbraw/zinc/41/55/73/558415573.db2.gz SOQQNECPISSQMV-UHFFFAOYSA-N 0 3 419.525 3.654 50 0 HHAAHN CC(=O)NC[C@H]1CCCN(Cc2cn(-c3cccc(F)c3)nc2-c2ccc(C)o2)C1 ZINC000012595237 558437498 /nfs/dbraw/zinc/43/74/98/558437498.db2.gz KXTRGORDEHKOEB-GOSISDBHSA-N 0 3 410.493 3.928 50 0 HHAAHN CCOC(=O)C1(Cc2ccccc2)CCN(Cc2ccc(N3CCNC3=O)cc2)CC1 ZINC000012595799 558437687 /nfs/dbraw/zinc/43/76/87/558437687.db2.gz BTFJKKDTRCZQTF-UHFFFAOYSA-N 0 3 421.541 3.604 50 0 HHAAHN COc1ccc([C@@H]2CCCN2CCCCN2C(=O)c3ccccc3C2=O)c(OC)c1 ZINC000021583396 558442183 /nfs/dbraw/zinc/44/21/83/558442183.db2.gz XXQFZURLBDLAHU-NRFANRHFSA-N 0 3 408.498 3.917 50 0 HHAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 ZINC000021793621 558448966 /nfs/dbraw/zinc/44/89/66/558448966.db2.gz HZVNZYOUWAYICM-UHFFFAOYSA-N 0 3 407.562 3.645 50 0 HHAAHN COc1ccc(C(=O)N[C@@H](C)c2nccs2)cc1OC1CCN(C(C)C)CC1 ZINC000012707309 558450258 /nfs/dbraw/zinc/45/02/58/558450258.db2.gz HOQHZOWYMGLXON-HNNXBMFYSA-N 0 3 403.548 3.894 50 0 HHAAHN COc1ccc(C(=O)N[C@H](C)c2nccs2)cc1OC1CCN(C(C)C)CC1 ZINC000012707313 558450307 /nfs/dbraw/zinc/45/03/07/558450307.db2.gz HOQHZOWYMGLXON-OAHLLOKOSA-N 0 3 403.548 3.894 50 0 HHAAHN CN(C(=O)c1cnn(Cc2ccccc2)c1)[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000012751126 558459072 /nfs/dbraw/zinc/45/90/72/558459072.db2.gz HIDSCOUMHCWCJC-XMMPIXPASA-N 0 3 402.542 3.711 50 0 HHAAHN CCN(CC)[C@H](CNC(=O)[C@H](NC(=O)c1ccc(F)cc1)C(C)C)c1ccccc1 ZINC000012794436 558467709 /nfs/dbraw/zinc/46/77/09/558467709.db2.gz AMJQWHOAKOQPID-FGZHOGPDSA-N 0 3 413.537 3.779 50 0 HHAAHN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000012818014 558476038 /nfs/dbraw/zinc/47/60/38/558476038.db2.gz BJUVPTZYNUAMOV-YADHBBJMSA-N 0 3 411.521 3.533 50 0 HHAAHN CCCC(=O)Nc1ccc2c(c1)nc(CCN1CCN(c3ccccc3)CC1)n2C ZINC000013539724 558537456 /nfs/dbraw/zinc/53/74/56/558537456.db2.gz QDZTUFQHMUZQBS-UHFFFAOYSA-N 0 3 405.546 3.677 50 0 HHAAHN COc1cc(CN2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)cc(Cl)c1O ZINC000023374828 558554591 /nfs/dbraw/zinc/55/45/91/558554591.db2.gz DHYXVKWOXQEXMQ-FQEVSTJZSA-N 0 3 415.965 3.841 50 0 HHAAHN Cc1ccc(C)c(NC(=O)CC2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)c1 ZINC000023382248 558555713 /nfs/dbraw/zinc/55/57/13/558555713.db2.gz XZAKCVDHSDAXNK-UTKZUKDTSA-N 0 3 418.497 3.749 50 0 HHAAHN Cc1ccc(NC(=O)CC2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)cc1 ZINC000023411674 558557816 /nfs/dbraw/zinc/55/78/16/558557816.db2.gz CASCNTPYVNBPJT-NRFANRHFSA-N 0 3 411.465 3.856 50 0 HHAAHN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC3CCN(C)CC3)cc12 ZINC000023421551 558557965 /nfs/dbraw/zinc/55/79/65/558557965.db2.gz XVUKSZANQBPOTD-UHFFFAOYSA-N 0 3 402.951 3.932 50 0 HHAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000013689462 558571801 /nfs/dbraw/zinc/57/18/01/558571801.db2.gz PLEAKFUEZZZNQO-NJDAHSKKSA-N 0 3 404.397 3.582 50 0 HHAAHN Cc1nn(-c2ccccc2)c(C)c1CNC[C@H](c1cccs1)N1CCN(C)CC1 ZINC000023881919 558579812 /nfs/dbraw/zinc/57/98/12/558579812.db2.gz DPAMPTPJFUTOHU-JOCHJYFZSA-N 0 3 409.603 3.629 50 0 HHAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000013729249 558585805 /nfs/dbraw/zinc/58/58/05/558585805.db2.gz BUVSFXAYWXOGCD-UHFFFAOYSA-N 0 3 402.420 3.976 50 0 HHAAHN CCN1CCN(C(=O)[C@@H](C)NC[C@H](c2cccs2)c2c[nH]c3ccccc32)CC1 ZINC000024258854 558593314 /nfs/dbraw/zinc/59/33/14/558593314.db2.gz RGXHXEQOMFBAJA-XLIONFOSSA-N 0 3 410.587 3.504 50 0 HHAAHN CN(C)[C@H](CNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000025419370 558640373 /nfs/dbraw/zinc/64/03/73/558640373.db2.gz CTEURORNABHDFN-BJKOFHAPSA-N 0 3 415.537 3.967 50 0 HHAAHN CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCc1ccc(F)c(F)c1)C2 ZINC000014752573 558671028 /nfs/dbraw/zinc/67/10/28/558671028.db2.gz JLWYUIFEFVLQKA-KRWDZBQOSA-N 0 3 416.516 3.845 50 0 HHAAHN COc1ccc([C@H](CNC(=O)COc2ccc(F)cc2)N2CCCCCC2)cc1 ZINC000027583055 558676153 /nfs/dbraw/zinc/67/61/53/558676153.db2.gz VLZOUFOSVLXTAO-QFIPXVFZSA-N 0 3 400.494 3.947 50 0 HHAAHN Cc1cc(O[C@@H](C)C(=O)NCC2(N3CCN(C)CC3)CCCCC2)cc(C)c1Cl ZINC000027742386 558680685 /nfs/dbraw/zinc/68/06/85/558680685.db2.gz UYQYOTLBWKLVPW-IBGZPJMESA-N 0 3 422.013 3.791 50 0 HHAAHN CCN1CCN(C2(CNC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)CCCCC2)CC1 ZINC000028403215 558700025 /nfs/dbraw/zinc/70/00/25/558700025.db2.gz NRCVEBUJQMVCSF-IBGZPJMESA-N 0 3 422.013 3.872 50 0 HHAAHN CCN(CC)[C@H](CNC(=O)CCNC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000029164917 558710940 /nfs/dbraw/zinc/71/09/40/558710940.db2.gz CGZSCYLMVCXMHZ-HXUWFJFHSA-N 0 3 401.938 3.659 50 0 HHAAHN COc1ccc(-c2nc(C(=O)NC[C@@H](c3ccccc3)N(C)C)cs2)cc1OC ZINC000016599893 558796440 /nfs/dbraw/zinc/79/64/40/558796440.db2.gz SHMIHCQXTPATTR-SFHVURJKSA-N 0 3 411.527 3.860 50 0 HHAAHN COc1ccc(OCCN[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000016695401 558800935 /nfs/dbraw/zinc/80/09/35/558800935.db2.gz YKQDXDXZGHUCQR-IBGZPJMESA-N 0 3 404.510 3.958 50 0 HHAAHN CC[C@H](NC(=O)CNCCOc1ccccc1OC)c1ccc(Br)cc1 ZINC000016695469 558801058 /nfs/dbraw/zinc/80/10/58/558801058.db2.gz PQGYERZFRDMBMN-KRWDZBQOSA-N 0 3 421.335 3.694 50 0 HHAAHN O=C(NCCN1CCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2 ZINC000032984005 558805075 /nfs/dbraw/zinc/80/50/75/558805075.db2.gz PUSRLWHFGVWHQN-DEDYPNTBSA-N 0 3 411.889 3.538 50 0 HHAAHN CCOc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)ccc1OC ZINC000039537753 558822308 /nfs/dbraw/zinc/82/23/08/558822308.db2.gz ADXLVOTUAZNDBQ-HSZRJFAPSA-N 0 3 412.574 3.595 50 0 HHAAHN O=C1C[C@@H](NCCc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 ZINC000018250427 558834794 /nfs/dbraw/zinc/83/47/94/558834794.db2.gz NLSVFZPHOHCARU-MRXNPFEDSA-N 0 3 407.695 3.567 50 0 HHAAHN CCc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCCN(C)C)c3)C2)cc1 ZINC000033035551 558859660 /nfs/dbraw/zinc/85/96/60/558859660.db2.gz QMAATJJIMMMSDK-JOCHJYFZSA-N 0 3 422.573 3.952 50 0 HHAAHN O=C(Nc1ccc2c(c1)OCCO2)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000058167138 558907342 /nfs/dbraw/zinc/90/73/42/558907342.db2.gz GQPKTIXZQLCVOY-FQEVSTJZSA-N 0 3 406.404 3.851 50 0 HHAAHN C[C@@H]1CN(CC2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)C[C@@H](C)O1 ZINC000058227375 558913626 /nfs/dbraw/zinc/91/36/26/558913626.db2.gz CHICMEBTUXRVHK-HUUCEWRRSA-N 0 3 414.377 3.753 50 0 HHAAHN CCN(CC)CCOC(=O)c1ccc(NCCC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000004709088 558914082 /nfs/dbraw/zinc/91/40/82/558914082.db2.gz KRVKIBGDPROVJR-UHFFFAOYSA-N 0 3 412.486 3.599 50 0 HHAAHN Oc1ccc(C2=CCN(C[C@H](O)COc3ccc(Br)cc3)CC2)cc1 ZINC000058356062 558921359 /nfs/dbraw/zinc/92/13/59/558921359.db2.gz UQWCLKBVCQAZNN-IBGZPJMESA-N 0 3 404.304 3.684 50 0 HHAAHN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)Nc2cccc(CN(CC)CC)c2)C1 ZINC000060377073 558942564 /nfs/dbraw/zinc/94/25/64/558942564.db2.gz DPZNUWRBZMNAQE-JOCHJYFZSA-N 0 3 422.529 3.665 50 0 HHAAHN CC(C)n1cc(-c2cc(C(=O)N3CCCN(C)C[C@@H]3C)c3cc(F)ccc3n2)cn1 ZINC000063868711 558960227 /nfs/dbraw/zinc/96/02/27/558960227.db2.gz QCGZCGJMNUWYJS-INIZCTEOSA-N 0 3 409.509 3.985 50 0 HHAAHN Cc1ccc(CN2CCC(C(=O)N(C)Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000067602214 558988060 /nfs/dbraw/zinc/98/80/60/558988060.db2.gz BPFIBMLTBXAGKX-UHFFFAOYSA-N 0 3 404.514 3.916 50 0 HHAAHN Cc1cc(NC(=O)C(=O)NCC2CCN(Cc3cccs3)CC2)c2ccccc2n1 ZINC000023127539 559015865 /nfs/dbraw/zinc/01/58/65/559015865.db2.gz QBZAFCZSWXEDPC-UHFFFAOYSA-N 0 3 422.554 3.572 50 0 HHAAHN Cn1nc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)cc1-c1ccccc1 ZINC000095353309 559079733 /nfs/dbraw/zinc/07/97/33/559079733.db2.gz ZDKDTUAYNJOLRC-RBBKRZOGSA-N 0 3 400.526 3.824 50 0 HHAAHN CN1CCN(CCCNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000248024718 559259954 /nfs/dbraw/zinc/25/99/54/559259954.db2.gz KWNJDAAJXUHYPI-AQNXPRMDSA-N 0 3 411.512 3.850 50 0 HHAAHN O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccc(Cl)cc1Cl ZINC000005427463 560585702 /nfs/dbraw/zinc/58/57/02/560585702.db2.gz RZTSMJKBCGDWBN-KRWDZBQOSA-N 0 3 402.281 3.939 50 0 HHAAHN Cc1cc(C)n(-c2nc3sc4c(c3c(SCCN(C)C)n2)CC(C)(C)OC4)n1 ZINC000005563234 560618965 /nfs/dbraw/zinc/61/89/65/560618965.db2.gz RWEAXGZDJDTGQE-UHFFFAOYSA-N 0 3 417.604 3.999 50 0 HHAAHN CC1(C)c2nc(-c3ccc(F)cc3)c(Nc3ccc(F)cc3)n2CCN1C(=O)CN ZINC000084687267 560759317 /nfs/dbraw/zinc/75/93/17/560759317.db2.gz BUPRVECGWBHCQV-UHFFFAOYSA-N 0 3 411.456 3.608 50 0 HHAAHN CC[C@H](C)[C@@H](C(=O)Nc1ccc(OCCN(C)C)cc1)N1Cc2ccccc2C1=O ZINC000583652519 560779314 /nfs/dbraw/zinc/77/93/14/560779314.db2.gz KZCPABYIXPBIRS-JTSKRJEESA-N 0 3 409.530 3.636 50 0 HHAAHN CC[C@H](C)[C@H](C(=O)Nc1ccc(OCCN(C)C)cc1)N1Cc2ccccc2C1=O ZINC000583652518 560779322 /nfs/dbraw/zinc/77/93/22/560779322.db2.gz KZCPABYIXPBIRS-HTAPYJJXSA-N 0 3 409.530 3.636 50 0 HHAAHN COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1ccccc1 ZINC000018178359 560781544 /nfs/dbraw/zinc/78/15/44/560781544.db2.gz DVRPZJPCGJGFTH-VSKRKVRLSA-N 0 3 418.424 3.885 50 0 HHAAHN COc1ccc(-c2nn(-c3ccccc3)c3c(O)n(-c4ccccc4F)c(O)c23)cc1 ZINC000103530383 560842552 /nfs/dbraw/zinc/84/25/52/560842552.db2.gz DRKRIHLARXGZMC-RBBKRZOGSA-N 0 3 415.424 3.617 50 0 HHAAHN C[C@@H]1CN(c2ccccc2NC(=O)N(CCc2ccccc2)CCN(C)C)C[C@@H](C)O1 ZINC000048280169 568435927 /nfs/dbraw/zinc/43/59/27/568435927.db2.gz MBWYUDXKOOGWTJ-NHCUHLMSSA-N 0 3 424.589 3.938 50 0 HHAAHN COc1cccc(CN2CCC[C@]3(CCN(Cc4cnn(C(C)C)c4)C3)C2)c1OC ZINC000014965919 568488145 /nfs/dbraw/zinc/48/81/45/568488145.db2.gz UOPYWSHBHCOWHB-DEOSSOPVSA-N 0 3 412.578 3.969 50 0 HHAAHN CCNC(=O)[C@@H]1C[C@H](NCc2ccc(C(F)(F)F)cc2)CN1Cc1ccccc1 ZINC000039543965 568599002 /nfs/dbraw/zinc/59/90/02/568599002.db2.gz FWHCZWPLLJGDOT-PMACEKPBSA-N 0 3 405.464 3.574 50 0 HHAAHN COc1ccc([C@@H](CN2CCCC2)NC(=O)Cc2ccccc2Br)cc1 ZINC000095456458 568617794 /nfs/dbraw/zinc/61/77/94/568617794.db2.gz BYJXGCWZUWJDJV-HXUWFJFHSA-N 0 3 417.347 3.954 50 0 HHAAHN COc1cccc(OC)c1CN1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020998052 568657337 /nfs/dbraw/zinc/65/73/37/568657337.db2.gz XNUVMTDXBRPTGO-NRFANRHFSA-N 0 3 413.537 3.630 50 0 HHAAHN O=C1Nc2cc(Br)ccc2[C@H]1CN(Cc1ccco1)C[C@H]1CCCO1 ZINC000095997226 568679087 /nfs/dbraw/zinc/67/90/87/568679087.db2.gz ZZWMEUORAUBYTE-NVXWUHKLSA-N 0 3 405.292 3.759 50 0 HHAAHN COc1ccc(OC)c(-c2cc(CN(CCN(C)C)C(=O)Nc3ccccc3)no2)c1 ZINC000096210731 568704402 /nfs/dbraw/zinc/70/44/02/568704402.db2.gz PFXVOGKNPLSLBD-UHFFFAOYSA-N 0 3 424.501 3.955 50 0 HHAAHN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN[C@H](CCO)C2CCCCC2)cs1 ZINC000097048968 568767076 /nfs/dbraw/zinc/76/70/76/568767076.db2.gz JRRYZNMSRMZUAA-HXUWFJFHSA-N 0 3 413.587 3.929 50 0 HHAAHN COc1ccc(-c2nnc(SCCNC[C@@H](O)c3ccccc3)n2C(C)C)cc1 ZINC000002639101 568793007 /nfs/dbraw/zinc/79/30/07/568793007.db2.gz PAXXBCBXXNJBOP-HXUWFJFHSA-N 0 3 412.559 3.950 50 0 HHAAHN COc1ccc2cc(CNCCN3CCCCC3)c(=O)n(Cc3ccccc3F)c2c1 ZINC000299764684 568873617 /nfs/dbraw/zinc/87/36/17/568873617.db2.gz CISQPYLCQCAYPH-UHFFFAOYSA-N 0 3 423.532 3.773 50 0 HHAAHN CC1(C)C[C@H](C(=O)NC[C@@H]2CCC3(CCN(Cc4ccc(F)cc4)CC3)O2)CCO1 ZINC000299770196 568874093 /nfs/dbraw/zinc/87/40/93/568874093.db2.gz QFJSKZJYZRUYPF-CTNGQTDRSA-N 0 3 418.553 3.661 50 0 HHAAHN O=C(CCc1nc(-c2ccccc2F)no1)NC1CCN(Cc2ccccc2)CC1 ZINC000004119254 568944464 /nfs/dbraw/zinc/94/44/64/568944464.db2.gz JYQCEJOPNNITLN-UHFFFAOYSA-N 0 3 408.477 3.589 50 0 HHAAHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000012765495 568948173 /nfs/dbraw/zinc/94/81/73/568948173.db2.gz APKFEBJYYSNGKU-NRFANRHFSA-N 0 3 421.928 3.554 50 0 HHAAHN Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)NCCN1CCCC[C@H]1C ZINC000015731268 568981917 /nfs/dbraw/zinc/98/19/17/568981917.db2.gz RPYPSLADDHAIHQ-LJQANCHMSA-N 0 3 405.546 3.884 50 0 HHAAHN CC(C)NC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000035107833 568992010 /nfs/dbraw/zinc/99/20/10/568992010.db2.gz MWHAEIYCMQZNGZ-WIYYLYMNSA-N 0 3 424.593 3.646 50 0 biogenic HHAAHN CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(O)cc1 ZINC000008373809 568995720 /nfs/dbraw/zinc/99/57/20/568995720.db2.gz XQTCVMUAWZXZDJ-IBGZPJMESA-N 0 3 412.873 3.649 50 0 HHAAHN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000012820887 569004854 /nfs/dbraw/zinc/00/48/54/569004854.db2.gz ZFDSTXWFKBRYBR-QHCPKHFHSA-N 0 3 423.557 3.718 50 0 HHAAHN COc1ccccc1OCCNCC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000016046947 569028335 /nfs/dbraw/zinc/02/83/35/569028335.db2.gz QDPJIEULPHDHQN-JOCHJYFZSA-N 0 3 404.510 3.764 50 0 HHAAHN Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)NCCN4CCC(C)CC4)C3)nn2)cc1 ZINC000035398133 569035011 /nfs/dbraw/zinc/03/50/11/569035011.db2.gz XCSMUPDRZYECPG-JOCHJYFZSA-N 0 3 421.589 3.517 50 0 HHAAHN CCOC(=O)c1c(C)[nH]c(CCC(=O)NC2CCN(Cc3ccccc3)CC2)c1C ZINC000035446517 569037203 /nfs/dbraw/zinc/03/72/03/569037203.db2.gz ZWZPCPRSGRIJAP-UHFFFAOYSA-N 0 3 411.546 3.522 50 0 HHAAHN O=C(Cn1c2ccccc2nc1C(F)(F)F)NC1CCN(Cc2ccccc2)CC1 ZINC000006510048 569062053 /nfs/dbraw/zinc/06/20/53/569062053.db2.gz RCZWWMGYVWBRRY-UHFFFAOYSA-N 0 3 416.447 3.836 50 0 HHAAHN COc1ccc(OC[C@@H](O)CN(Cc2cccc(OC)c2OC)CC(C)C)cc1 ZINC000036097068 569090205 /nfs/dbraw/zinc/09/02/05/569090205.db2.gz NXYZIHCRPLGDTN-IBGZPJMESA-N 0 3 403.519 3.610 50 0 HHAAHN CC1CCN(c2ccc(-c3noc(CN4CCN(C5CCCCC5)CC4)n3)cn2)CC1 ZINC000065216157 569197614 /nfs/dbraw/zinc/19/76/14/569197614.db2.gz JSDHZUSOBKJBMW-UHFFFAOYSA-N 0 3 424.593 3.818 50 0 HHAAHN Cc1ccc2cc(CCC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000065245561 569205312 /nfs/dbraw/zinc/20/53/12/569205312.db2.gz VDHGDXRJUMKHAE-UHFFFAOYSA-N 0 3 403.526 3.962 50 0 HHAAHN COc1ccc(NC(=O)c2ccc(N3CCN[C@H](c4ccccc4)C3)nc2)c(OC)c1 ZINC000065256130 569208232 /nfs/dbraw/zinc/20/82/32/569208232.db2.gz IFHUKYSVEMIAPM-NRFANRHFSA-N 0 3 418.497 3.502 50 0 HHAAHN CC[C@@H]1CN(C(=O)Nc2nc(-c3cccnc3)cs2)[C@@H](CC)CN1CC(C)(C)O ZINC000170613510 569246895 /nfs/dbraw/zinc/24/68/95/569246895.db2.gz DGVXAVIHODYYOB-SJORKVTESA-N 0 3 417.579 3.683 50 0 HHAAHN O=S(=O)(CCCNCc1ccc(F)c(Br)c1)Cc1ccccc1 ZINC000237741407 569281883 /nfs/dbraw/zinc/28/18/83/569281883.db2.gz CAIUKGQZAVARDQ-UHFFFAOYSA-N 0 3 400.313 3.683 50 0 HHAAHN Cc1ccc(CN2CCC(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)o1 ZINC000252498683 569290968 /nfs/dbraw/zinc/29/09/68/569290968.db2.gz RIMVUMQSKCPUNR-UHFFFAOYSA-N 0 3 408.468 3.788 50 0 HHAAHN Cc1ccc(-c2nc(CS(=O)(=O)C(C)C(=O)N3C[C@H](C)C[C@@H](C)C3)cs2)cc1 ZINC000195528977 569311986 /nfs/dbraw/zinc/31/19/86/569311986.db2.gz QVBNLLTVAPYTGH-BRWVUGGUSA-N 0 3 420.600 3.926 50 0 HHAAHN Cc1cc(NC(=O)CN[C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)n(C(C)(C)C)n1 ZINC000253417380 569367448 /nfs/dbraw/zinc/36/74/48/569367448.db2.gz SBSQIYPSGJBGMP-SIXWZSSISA-N 0 3 421.586 3.509 50 0 HHAAHN Cc1nc2ccccc2n1CCCCCN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000328593978 569415683 /nfs/dbraw/zinc/41/56/83/569415683.db2.gz FQWOOWVGGFGKOR-RUZDIDTESA-N 0 3 406.574 3.866 50 0 HHAAHN OC1CCN(Cc2ccccc2NCc2cc3c(c(Br)c2)OCO3)CC1 ZINC000078823120 569420728 /nfs/dbraw/zinc/42/07/28/569420728.db2.gz IDVNHRKILMCTPX-UHFFFAOYSA-N 0 3 419.319 3.747 50 0 HHAAHN C[C@H]1C[C@H](N(C)C(=O)COc2ccc3cc(Br)ccc3c2)CCN1C ZINC000078870211 569421017 /nfs/dbraw/zinc/42/10/17/569421017.db2.gz OIOJDZZVRKWRCQ-KBXCAEBGSA-N 0 3 405.336 3.922 50 0 HHAAHN Cn1c(CN2CCCCCC2)cc(=O)c(O)c1CN1CCC(c2ccccc2)CC1 ZINC000079491348 569432467 /nfs/dbraw/zinc/43/24/67/569432467.db2.gz QUKSSLAPLICMEA-UHFFFAOYSA-N 0 3 409.574 3.847 50 0 HHAAHN Cc1ccc(-c2nc(CS(=O)(=O)C(C)C(=O)N3C[C@H](C)C[C@H](C)C3)cs2)cc1 ZINC000040106307 571166918 /nfs/dbraw/zinc/16/69/18/571166918.db2.gz QVBNLLTVAPYTGH-BBWFWOEESA-N 0 3 420.600 3.926 50 0 HHAAHN CN(C)Cc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c1 ZINC000040121006 571176945 /nfs/dbraw/zinc/17/69/45/571176945.db2.gz JNYISMDPEKAOFB-KRWDZBQOSA-N 0 3 419.447 3.754 50 0 HHAAHN COc1ccc(NC(=O)[C@@H]2C[C@H](CC(C)C)N[C@]23c2cc(C)ccc2NC3=O)cc1 ZINC000008995748 571208544 /nfs/dbraw/zinc/20/85/44/571208544.db2.gz LXGWRKRXKJDGPC-GERBCZOESA-N 0 3 407.514 3.814 50 0 HHAAHN Cc1ccc(/C=C(\C(=O)N(CCN(C)C)Cc2ccccc2)n2ccccc2=O)cc1 ZINC000009762476 571284674 /nfs/dbraw/zinc/28/46/74/571284674.db2.gz WUBIZXDXALSCQG-LYBHJNIJSA-N 0 3 415.537 3.745 50 0 HHAAHN O=C(NC[C@H](c1cccc2ccccc21)N1CCCC1)C(=O)Nc1cccc(F)c1 ZINC000010334048 571300586 /nfs/dbraw/zinc/30/05/86/571300586.db2.gz KIAOCLLHAVETCZ-JOCHJYFZSA-N 0 3 405.473 3.871 50 0 HHAAHN O=C(NC[C@H](c1cccc2ccccc21)N1CCCC1)C(=O)Nc1ccc(F)cc1 ZINC000010334037 571300720 /nfs/dbraw/zinc/30/07/20/571300720.db2.gz LIHAAQXEJVZOQS-JOCHJYFZSA-N 0 3 405.473 3.871 50 0 HHAAHN COc1ccc2ccccc2c1CNCCn1cc(C(=O)Nc2ccccc2C)nn1 ZINC000011910979 962207799 /nfs/dbraw/zinc/20/77/99/962207799.db2.gz UWFQFVTZMYYYSQ-UHFFFAOYSA-N 0 3 415.497 3.790 50 0 HHAAHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)CCc4ccccn4)C3)C2)c1OC ZINC000011933411 962210393 /nfs/dbraw/zinc/21/03/93/962210393.db2.gz WTQYFIMKLDVEAT-RUZDIDTESA-N 0 3 423.557 3.546 50 0 HHAAHN Cc1cc2nc(N3CCCN(Cc4cccc(OCCO)c4)CC3)nc(C)c2cc1C ZINC000012148921 962244629 /nfs/dbraw/zinc/24/46/29/962244629.db2.gz AZHMWPJUIAYXQQ-UHFFFAOYSA-N 0 3 420.557 3.638 50 0 HHAAHN CC1CCN(Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)c(=O)[nH]2)CC1 ZINC000012457329 962284588 /nfs/dbraw/zinc/28/45/88/962284588.db2.gz WUWRFQOWEXGMHV-UHFFFAOYSA-N 0 3 407.436 3.556 50 0 HHAAHN Cc1oc2c(c1C(=O)NCCN1CCC[C@H](C)C1)CN(Cc1cccc(F)c1)CC2 ZINC000107472748 969309713 /nfs/dbraw/zinc/30/97/13/969309713.db2.gz OFHVAAPHTISKJI-KRWDZBQOSA-N 0 3 413.537 3.747 50 0 HHAAHN Cc1oc2c(c1C(=O)NCCN1CCCC[C@@H]1C)CN(Cc1cccc(F)c1)CC2 ZINC000107472753 969309997 /nfs/dbraw/zinc/30/99/97/969309997.db2.gz FCFXUMTURYJEOX-KRWDZBQOSA-N 0 3 413.537 3.890 50 0 HHAAHN CCOc1ccccc1CN1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000000795517 132232921 /nfs/dbraw/zinc/23/29/21/132232921.db2.gz FRVYMKBSTZUOIX-UHFFFAOYSA-N 0 3 407.558 3.646 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)c3cc(Br)ccc3OC)cc2)CC1 ZINC000004998484 132298067 /nfs/dbraw/zinc/29/80/67/132298067.db2.gz ZZAVNCPZXVRITD-UHFFFAOYSA-N 0 3 418.335 3.852 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)cc2)CC1 ZINC000011945758 132352529 /nfs/dbraw/zinc/35/25/29/132352529.db2.gz NGUIKPXIAIZQKJ-UHFFFAOYSA-N 0 3 410.543 3.515 50 0 HHAAHN CC(C)n1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc2c1=O ZINC000072401970 519939158 /nfs/dbraw/zinc/93/91/58/519939158.db2.gz RNBXSHYHJMTWDB-UHFFFAOYSA-N 0 3 403.526 3.977 50 0 HHAAHN CCOc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCCO)no2)cc1OCC ZINC000044018872 520812780 /nfs/dbraw/zinc/81/27/80/520812780.db2.gz NUIKTBLZSPQGCP-LJQANCHMSA-N 0 3 409.486 3.770 50 0 in-vitro HHAAHN CCN(CC)[C@@H](CNC(=O)/C=C/c1cc(OC)c2c(c1)OCCO2)c1ccccc1 ZINC000032819101 520831754 /nfs/dbraw/zinc/83/17/54/520831754.db2.gz CZKOIRBSFKIUMS-SGWGQVFISA-N 0 3 410.514 3.679 50 0 HHAAHN CCN1CCN(c2ccc(N[C@@H](C)C(=O)Nc3ccc(F)cc3F)c(C)c2)CC1 ZINC000032772068 521698990 /nfs/dbraw/zinc/69/89/90/521698990.db2.gz BHTXEKMPYYKCCM-INIZCTEOSA-N 0 3 402.489 3.854 50 0 HHAAHN CCNC(=O)[C@@H]1C[C@H](NCc2ccc(SC)cc2)CN1Cc1ccccc1Cl ZINC000032576246 521744996 /nfs/dbraw/zinc/74/49/96/521744996.db2.gz BRTAIAWAOFNFNP-RXVVDRJESA-N 0 3 418.006 3.931 50 0 HHAAHN CN(C)Cc1cccc(NC(=O)C(=O)NCc2cccc(OCc3ccccc3)c2)c1 ZINC000032937369 521922897 /nfs/dbraw/zinc/92/28/97/521922897.db2.gz GXHNMDLOWQSLGM-UHFFFAOYSA-N 0 3 417.509 3.582 50 0 HHAAHN CN(C[C@H](O)COC(c1ccccc1)c1ccccc1)C[C@H]1COc2ccccc2O1 ZINC000040162358 523098609 /nfs/dbraw/zinc/09/86/09/523098609.db2.gz HCPYGECYHALWDB-GOTSBHOMSA-N 0 3 419.521 3.925 50 0 HHAAHN CC(C(=O)NC1CCC(C)CC1)S(=O)(=O)Cc1cc(Cl)ccc1OC(F)F ZINC000032929712 524165248 /nfs/dbraw/zinc/16/52/48/524165248.db2.gz DNVBRIHWJPIDFU-AVERBVTBSA-N 0 3 423.909 3.940 50 0 HHAAHN C[C@@]12CN(Cc3ccccc3)C[C@@](C)(CN(C(=O)c3c[nH]c4ccccc34)C1)C2=O ZINC000031813218 525916221 /nfs/dbraw/zinc/91/62/21/525916221.db2.gz RZSYWMCBCKAULF-PLQXJYEYSA-N 0 3 401.510 3.721 50 0 HHAAHN O=C(NCCN1CCCC1)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000040355768 526306548 /nfs/dbraw/zinc/30/65/48/526306548.db2.gz GROQPCFLDCSEMR-UHFFFAOYSA-N 0 3 413.330 3.528 50 0 HHAAHN COCCN(C[C@@H]1CN(Cc2ccccn2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740526 557444002 /nfs/dbraw/zinc/44/40/02/557444002.db2.gz QNFNKYWEFPREMI-NZQKXSOJSA-N 0 3 413.537 3.567 50 0 HHAAHN COc1cc(CN2CCC[C@@H](C(=O)N3CCc4ccccc4C3)C2)cc(OC)c1OC ZINC000004746285 557591954 /nfs/dbraw/zinc/59/19/54/557591954.db2.gz ZKIVYOQDMOYHQB-OAQYLSRUSA-N 0 3 424.541 3.509 50 0 HHAAHN COc1cccc(CNCCCN2CCOCC2)c1OCc1ccccc1Cl ZINC000005019614 557626611 /nfs/dbraw/zinc/62/66/11/557626611.db2.gz CBEIRONOJMSRFT-UHFFFAOYSA-N 0 3 404.938 3.740 50 0 HHAAHN O[C@@H](COCc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019720979 558259303 /nfs/dbraw/zinc/25/93/03/558259303.db2.gz MSSZMIUMUQIRJI-AREMUKBSSA-N 0 3 416.565 3.971 50 0 HHAAHN CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(Cc2ccc(COC)o2)C1 ZINC000011838341 558285227 /nfs/dbraw/zinc/28/52/27/558285227.db2.gz RBYWWTQSWFIVHG-QHCPKHFHSA-N 0 3 401.503 3.823 50 0 HHAAHN CCOC(=O)[C@]1(CCc2ccccc2)CCCN(Cc2ccccc2OCCO)C1 ZINC000011843121 558288252 /nfs/dbraw/zinc/28/82/52/558288252.db2.gz LGOMANUODBUGRC-VWLOTQADSA-N 0 3 411.542 3.836 50 0 HHAAHN COc1cccc(CN2C[C@@H]3C[C@@H](c4ccc(OC)c(C)c4)N4CCC[C@@]34C2=O)c1 ZINC000011843987 558288856 /nfs/dbraw/zinc/28/88/56/558288856.db2.gz MOEWESIGMIOAHI-XTJBDQBJSA-N 0 3 406.526 3.950 50 0 HHAAHN O=C1C[C@H](NCC23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccc(Br)cc1 ZINC000019848333 558294829 /nfs/dbraw/zinc/29/48/29/558294829.db2.gz VYHPNWLBYVEQIH-TYUXRXASSA-N 0 3 417.347 3.887 50 0 HHAAHN O=C(NC[C@H]1CCC2(CCN(Cc3ccncc3)CC2)O1)c1ccc2[nH]ccc2c1 ZINC000011912350 558297029 /nfs/dbraw/zinc/29/70/29/558297029.db2.gz VLIRSOVTOXLEPG-OAQYLSRUSA-N 0 3 404.514 3.507 50 0 HHAAHN COc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2c1 ZINC000019875173 558300022 /nfs/dbraw/zinc/30/00/22/558300022.db2.gz LCCWXBJQUAEVKF-FQEVSTJZSA-N 0 3 411.889 3.603 50 0 HHAAHN C[C@H](NC(=O)CCN1Cc2ccccc2O[C@@H](C)C1)c1cnn(-c2ccccc2)c1 ZINC000012028133 558310667 /nfs/dbraw/zinc/31/06/67/558310667.db2.gz LEVBHEHWBXAUTO-OALUTQOASA-N 0 3 404.514 3.723 50 0 HHAAHN O=C(CC1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccc(F)cc1 ZINC000020103523 558332786 /nfs/dbraw/zinc/33/27/86/558332786.db2.gz GIQTXDJLBPQPCA-FQEVSTJZSA-N 0 3 415.428 3.687 50 0 HHAAHN COc1ccccc1/C=C/CN1CCC2(C[C@H]2C(=O)NCc2cccc(C)n2)CC1 ZINC000012135946 558333837 /nfs/dbraw/zinc/33/38/37/558333837.db2.gz OTMLJAHXNUWWMZ-OUZREKFBSA-N 0 3 405.542 3.830 50 0 HHAAHN CCNC(=O)[C@@H]1C[C@H](NCc2ccccc2C(F)(F)F)CN1Cc1ccccc1 ZINC000020119112 558336721 /nfs/dbraw/zinc/33/67/21/558336721.db2.gz UJGGCVWVCXQTIZ-ICSRJNTNSA-N 0 3 405.464 3.574 50 0 HHAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)[C@H]1CC=CCC1 ZINC000012205245 558352448 /nfs/dbraw/zinc/35/24/48/558352448.db2.gz ZVFMLXVAQNPHBS-NRFANRHFSA-N 0 3 400.563 3.739 50 0 HHAAHN OCc1ccc(CN2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)o1 ZINC000020386096 558358831 /nfs/dbraw/zinc/35/88/31/558358831.db2.gz VKYYEWBBFFOSJA-LJQANCHMSA-N 0 3 423.479 3.577 50 0 HHAAHN O=C(c1nc2sccn2c1CNCCc1ccccc1C(F)(F)F)N1CCCC1 ZINC000020389177 558358943 /nfs/dbraw/zinc/35/89/43/558358943.db2.gz KLRXGPYAJNFFHW-UHFFFAOYSA-N 0 3 422.476 3.983 50 0 HHAAHN CC(C)(CO)CNCc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000012300106 558370064 /nfs/dbraw/zinc/37/00/64/558370064.db2.gz RMZVWZQSMLBFDS-UHFFFAOYSA-N 0 3 406.958 3.502 50 0 HHAAHN CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)CSc1ccncc1 ZINC000012315086 558378565 /nfs/dbraw/zinc/37/85/65/558378565.db2.gz JNEZHKRPGKZHAX-GOSISDBHSA-N 0 3 401.551 3.726 50 0 HHAAHN CCN1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(C)cc2C)C1=O ZINC000020517983 558383079 /nfs/dbraw/zinc/38/30/79/558383079.db2.gz HJNRRLPQEFSWQY-QZMYASAMSA-N 0 3 403.526 3.905 50 0 HHAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccsc1 ZINC000012373307 558390565 /nfs/dbraw/zinc/39/05/65/558390565.db2.gz GTBAVGKKIMWVSV-SFHVURJKSA-N 0 3 403.567 3.803 50 0 HHAAHN CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)Cc1ccc2c(c1)OCO2 ZINC000012385459 558394434 /nfs/dbraw/zinc/39/44/34/558394434.db2.gz RZDSGTXXBIUPLW-UHFFFAOYSA-N 0 3 412.505 3.510 50 0 HHAAHN CCCCN1C(=O)C(CC(=O)Nc2ccc(NC(C)=O)cc2)n2c3ccccc3nc21 ZINC000020729572 558405983 /nfs/dbraw/zinc/40/59/83/558405983.db2.gz KWWHVULOVCGXOD-FQEVSTJZSA-N 0 3 419.485 3.711 50 0 HHAAHN COc1cccc(C(=O)[C@H]2CCCN(Cc3c(C)n(C)n(-c4ccccc4)c3=O)C2)c1 ZINC000020778196 558412573 /nfs/dbraw/zinc/41/25/73/558412573.db2.gz YBTOGCMWWUFSLW-FQEVSTJZSA-N 0 3 419.525 3.588 50 0 HHAAHN Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000020903599 558420822 /nfs/dbraw/zinc/42/08/22/558420822.db2.gz APCTZDOJFYDYMZ-UHFFFAOYSA-N 0 3 402.542 3.812 50 0 HHAAHN COc1cccc(CNC(=O)CC[C@@H]2CCCN(Cc3ccc(NC(C)=O)cc3)C2)c1 ZINC000012579893 558432315 /nfs/dbraw/zinc/43/23/15/558432315.db2.gz SHOXPSHQGFYRFF-FQEVSTJZSA-N 0 3 423.557 3.962 50 0 HHAAHN COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(Cc3c[nH]c4ccccc34)C2)c1 ZINC000012584255 558433624 /nfs/dbraw/zinc/43/36/24/558433624.db2.gz ABSYTHRBOWGRFO-KRWDZBQOSA-N 0 3 407.514 3.827 50 0 HHAAHN COc1cccc(C(=O)NC[C@H]2CCCN(Cc3cccc4cccnc43)C2)c1OC ZINC000012701736 558448055 /nfs/dbraw/zinc/44/80/55/558448055.db2.gz VUEKUBAVGIHJPC-GOSISDBHSA-N 0 3 419.525 3.894 50 0 HHAAHN C[C@H](CC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)NC(=O)c1ccccc1 ZINC000022681448 558504441 /nfs/dbraw/zinc/50/44/41/558504441.db2.gz ZCKYHIMSUCITGF-UYAOXDASSA-N 0 3 413.587 3.846 50 0 HHAAHN O=c1[nH]c(CN2CCN(CCCc3ccccc3)CC2)nc2sc3c(c21)CCCC3 ZINC000022802903 558513174 /nfs/dbraw/zinc/51/31/74/558513174.db2.gz PJAXJVPRPAOGMD-UHFFFAOYSA-N 0 3 422.598 3.614 50 0 HHAAHN Cc1nc2sccn2c1CN1CCC[C@@H](N2CCN(c3ccccc3C)CC2)C1 ZINC000022913815 558520623 /nfs/dbraw/zinc/52/06/23/558520623.db2.gz INBJZXFSTMIDRY-HXUWFJFHSA-N 0 3 409.603 3.799 50 0 HHAAHN Cc1ccc(NC(=O)CN2CCCN(Cc3ccccc3)CC2)c(Br)c1 ZINC000022929627 558523759 /nfs/dbraw/zinc/52/37/59/558523759.db2.gz ACEZZUTUAZLAIL-UHFFFAOYSA-N 0 3 416.363 3.904 50 0 HHAAHN OCC[C@@H]1CN(C2CCN(c3ccccc3)CC2)CCN1CCCc1ccccc1 ZINC000023373900 558554164 /nfs/dbraw/zinc/55/41/64/558554164.db2.gz WZPORHGOAMRKDK-AREMUKBSSA-N 0 3 407.602 3.657 50 0 HHAAHN O=C(CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc(Cl)c1 ZINC000023382137 558555532 /nfs/dbraw/zinc/55/55/32/558555532.db2.gz UULYMYQMBGKBBQ-VQIMIIECSA-N 0 3 424.888 3.785 50 0 HHAAHN COCCCN1C(=O)C(CC(=O)Nc2ccc(C)c(C)c2)n2c3ccccc3nc21 ZINC000023411196 558557445 /nfs/dbraw/zinc/55/74/45/558557445.db2.gz OELBKWBSRINZDU-FQEVSTJZSA-N 0 3 406.486 3.606 50 0 HHAAHN COc1ccc(-c2cc(C(=O)NC3CCN(C)CC3)c3ccccc3n2)cc1OC ZINC000023421722 558558002 /nfs/dbraw/zinc/55/80/02/558558002.db2.gz SMKORJUBNGJKBW-UHFFFAOYSA-N 0 3 405.498 3.743 50 0 HHAAHN O=C(Cc1c(O)nc2[nH]c3ccccc3n21)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000013684211 558568493 /nfs/dbraw/zinc/56/84/93/558568493.db2.gz GTJOVZHMFLMTQV-AWEZNQCLSA-N 0 3 408.767 3.884 50 0 HHAAHN O=C(CC1C(=O)N=C2Nc3ccccc3N21)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000013684211 558568496 /nfs/dbraw/zinc/56/84/96/558568496.db2.gz GTJOVZHMFLMTQV-AWEZNQCLSA-N 0 3 408.767 3.884 50 0 HHAAHN COc1ccc([C@H](CNCc2ccc(OC(C)C)c(OC)c2)N2CCOCC2)cc1 ZINC000025261988 558636157 /nfs/dbraw/zinc/63/61/57/558636157.db2.gz TWLADXAOARQDOH-QFIPXVFZSA-N 0 3 414.546 3.654 50 0 HHAAHN CC(C)N1C(=O)N(C)C2(CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2)C1=O ZINC000014532126 558656396 /nfs/dbraw/zinc/65/63/96/558656396.db2.gz LHFIESINGNGTTO-UHFFFAOYSA-N 0 3 403.526 3.895 50 0 HHAAHN CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccccc1)CC2 ZINC000014537281 558658497 /nfs/dbraw/zinc/65/84/97/558658497.db2.gz PQMNJLORZUJOCR-UHFFFAOYSA-N 0 3 420.557 3.927 50 0 HHAAHN CC(C)N1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccsc3)CC2)C1=O ZINC000014745510 558668918 /nfs/dbraw/zinc/66/89/18/558668918.db2.gz GXNYUHHJSAJDKQ-UHFFFAOYSA-N 0 3 411.571 3.998 50 0 HHAAHN CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccsc1)CC2 ZINC000014749397 558670364 /nfs/dbraw/zinc/67/03/64/558670364.db2.gz UOGHQJIOPCBJRQ-UHFFFAOYSA-N 0 3 413.543 3.576 50 0 HHAAHN COc1ccc2cc(CNCC3(O)CCCCC3)c(N3CCSCC3)nc2c1 ZINC000014885830 558677403 /nfs/dbraw/zinc/67/74/03/558677403.db2.gz BOEHDNQCAFGKEC-UHFFFAOYSA-N 0 3 401.576 3.581 50 0 HHAAHN CC(C)c1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)cc1 ZINC000014954890 558682000 /nfs/dbraw/zinc/68/20/00/558682000.db2.gz MSPREXONPCFQPL-QGZVFWFLSA-N 0 3 407.518 3.544 50 0 HHAAHN COC(=O)c1ccc(C(=O)N(C)C[C@H]2CCCN(CCc3ccccc3F)C2)cc1 ZINC000014955621 558682314 /nfs/dbraw/zinc/68/23/14/558682314.db2.gz ZWSMVPUSGPFIBS-GOSISDBHSA-N 0 3 412.505 3.639 50 0 HHAAHN CCNC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1CN1CCC[C@H](C)C1 ZINC000014956569 558682722 /nfs/dbraw/zinc/68/27/22/558682722.db2.gz BSVSVQFTYQSGHE-KRWDZBQOSA-N 0 3 410.514 3.829 50 0 HHAAHN CC[C@@H](O)C1CCN(C(=O)c2ccc(OC)c(OC3CCN(C(C)C)CC3)c2)CC1 ZINC000014960786 558683956 /nfs/dbraw/zinc/68/39/56/558683956.db2.gz RMEMMCJYSNKROE-OAQYLSRUSA-N 0 3 418.578 3.570 50 0 HHAAHN CC(=O)Nc1ccc(CN2CCC(Oc3ccccc3C(=O)N3CCCC3)CC2)cc1 ZINC000014966382 558685979 /nfs/dbraw/zinc/68/59/79/558685979.db2.gz SFJSLFXJRHGTPO-UHFFFAOYSA-N 0 3 421.541 3.924 50 0 HHAAHN O=C(CCCc1ccccc1)NC[C@@H]1CCC2(CCN(Cc3ccncc3)CC2)O1 ZINC000014990572 558694338 /nfs/dbraw/zinc/69/43/38/558694338.db2.gz NFIPHPUBYLSERI-QHCPKHFHSA-N 0 3 407.558 3.734 50 0 HHAAHN CCN1CCN(C2(CNC(=O)COc3ccc(C(C)C)cc3)CCCCC2)CC1 ZINC000028293166 558698287 /nfs/dbraw/zinc/69/82/87/558698287.db2.gz VFBSPEHZIACTLK-UHFFFAOYSA-N 0 3 401.595 3.645 50 0 HHAAHN CN(C)CCN(CCCc1ccccc1)C(=O)CCc1nc(-c2ccsc2)no1 ZINC000072274731 558700501 /nfs/dbraw/zinc/70/05/01/558700501.db2.gz ZHGDBJSCCGEMQP-UHFFFAOYSA-N 0 3 412.559 3.754 50 0 HHAAHN CN(C)C[C@@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1ccccc1 ZINC000028971559 558708242 /nfs/dbraw/zinc/70/82/42/558708242.db2.gz JRWNHMFFAXYRSQ-SJLPKXTDSA-N 0 3 403.935 3.562 50 0 HHAAHN O=C(CCC1CCN(C(=O)C2=CCCCC2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000015072722 558713814 /nfs/dbraw/zinc/71/38/14/558713814.db2.gz ARJOCDVSDCPEHO-XMMPIXPASA-N 0 3 423.601 3.896 50 0 HHAAHN O=C(CC1C(=O)N(Cc2ccco2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000030937532 558744936 /nfs/dbraw/zinc/74/49/36/558744936.db2.gz WZKNEZQEDGNLSX-IBGZPJMESA-N 0 3 404.401 3.885 50 0 HHAAHN COc1ccc(CN2CCC(C(=O)NCc3ccccc3Cl)CC2)cc1OC ZINC000006761914 558781885 /nfs/dbraw/zinc/78/18/85/558781885.db2.gz DNZHPHUYXYMNNV-UHFFFAOYSA-N 0 3 402.922 3.886 50 0 HHAAHN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CN(C)C2CCCCC2)cc1 ZINC000016445568 558791433 /nfs/dbraw/zinc/79/14/33/558791433.db2.gz FNNCUGPBTHXSEB-UHFFFAOYSA-N 0 3 423.557 3.871 50 0 HHAAHN CCN(CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(OC)cc1 ZINC000016750972 558804731 /nfs/dbraw/zinc/80/47/31/558804731.db2.gz PFZUGIXEKOBHQW-NRFANRHFSA-N 0 3 424.472 3.828 50 0 HHAAHN O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000018223022 558834067 /nfs/dbraw/zinc/83/40/67/558834067.db2.gz WAXGRWIQAUQRKP-GOSISDBHSA-N 0 3 401.388 3.651 50 0 HHAAHN Cc1ccc(CN2CCC(C(=O)N(C)Cc3nc(-c4cccs4)no3)CC2)cc1 ZINC000067601876 558987521 /nfs/dbraw/zinc/98/75/21/558987521.db2.gz IZHSGIVQNAMWMQ-UHFFFAOYSA-N 0 3 410.543 3.977 50 0 HHAAHN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)C1CCN(Cc2ccccc2)CC1 ZINC000067629607 558990230 /nfs/dbraw/zinc/99/02/30/558990230.db2.gz WCGUIEQGOUVDSK-UHFFFAOYSA-N 0 3 410.905 3.918 50 0 HHAAHN Cc1ccc(-c2noc(CN(C)C(=O)C3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000067629500 558990306 /nfs/dbraw/zinc/99/03/06/558990306.db2.gz QABRZUZFTNKJOU-UHFFFAOYSA-N 0 3 404.514 3.916 50 0 HHAAHN COc1ccc(NC(=O)C2(N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)CCCCC2)cc1 ZINC000043736685 558991783 /nfs/dbraw/zinc/99/17/83/558991783.db2.gz JPOZDPITGXJBJC-RBUKOAKNSA-N 0 3 421.541 3.618 50 0 biogenic HHAAHN Cc1nc(CN(C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)c[nH]1 ZINC000067920718 558994719 /nfs/dbraw/zinc/99/47/19/558994719.db2.gz BTUATNRNENWUIG-JOCHJYFZSA-N 0 3 400.542 3.750 50 0 HHAAHN COc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cc1Cl ZINC000023127731 559016016 /nfs/dbraw/zinc/01/60/16/559016016.db2.gz DKDYJQNNKKGOQN-UHFFFAOYSA-N 0 3 414.980 3.601 50 0 HHAAHN c1cncc(CN2CCC(Nc3cccc(N4CCN(CC5CC5)CC4)c3)CC2)c1 ZINC000097037562 559023752 /nfs/dbraw/zinc/02/37/52/559023752.db2.gz CGWUVCRFTIHSIR-UHFFFAOYSA-N 0 3 405.590 3.690 50 0 HHAAHN CCn1c2ccccc2nc1SCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000011421451 559075603 /nfs/dbraw/zinc/07/56/03/559075603.db2.gz INTDPEZPBHXDCM-UHFFFAOYSA-N 0 3 408.571 3.929 50 0 HHAAHN O=C(c1ccc(COc2cccc(Br)c2)o1)N1CC[C@H](N2CCCC2)C1 ZINC000072288406 559076542 /nfs/dbraw/zinc/07/65/42/559076542.db2.gz AOWQHNXCQNGGJO-INIZCTEOSA-N 0 3 419.319 3.931 50 0 HHAAHN O=C(CCOc1ccc(Br)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000046436354 559133968 /nfs/dbraw/zinc/13/39/68/559133968.db2.gz PIWXWLBYJJCHLH-UHFFFAOYSA-N 0 3 417.347 3.999 50 0 HHAAHN COC(=O)c1ccc(NC(=O)c2cc3cc4c5c(c3oc2=N)CCCN5CCC4)cc1 ZINC000004921987 559207001 /nfs/dbraw/zinc/20/70/01/559207001.db2.gz HJVDDJICUDVNOR-UHFFFAOYSA-N 0 3 417.465 3.650 50 0 HHAAHN Cc1ccccc1N1C(=O)[C@H](Oc2ccc(Cl)cc2)[C@H]1CNC[C@@H]1CCCO1 ZINC000004992336 559224855 /nfs/dbraw/zinc/22/48/55/559224855.db2.gz FOFDCQHEZOTDFJ-CEWLAPEOSA-N 0 3 400.906 3.580 50 0 HHAAHN CCN(CC)CCN(C(=O)c1ccco1)c1nc2c(s1)c(OC)ccc2OC ZINC000005122197 559248682 /nfs/dbraw/zinc/24/86/82/559248682.db2.gz VZWNENQDWJYQGB-UHFFFAOYSA-N 0 3 403.504 3.895 50 0 HHAAHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000248112073 559263448 /nfs/dbraw/zinc/26/34/48/559263448.db2.gz RDWLWYOLVMITEH-XQQFMLRXSA-N 0 3 407.399 3.537 50 0 HHAAHN O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccc(Cl)cc1Cl ZINC000018223101 560785054 /nfs/dbraw/zinc/78/50/54/560785054.db2.gz RZTSMJKBCGDWBN-QGZVFWFLSA-N 0 3 402.281 3.939 50 0 HHAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000102735989 560822853 /nfs/dbraw/zinc/82/28/53/560822853.db2.gz DVBZCJRJEDPHLH-SLFFLAALSA-N 0 3 405.841 3.786 50 0 HHAAHN C[C@@H](C(=O)NCCN1CCCC[C@@H]1C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000106361771 560890860 /nfs/dbraw/zinc/89/08/60/560890860.db2.gz FMYKLAAJFBPSHC-RBUKOAKNSA-N 0 3 424.589 3.647 50 0 HHAAHN CCC1CCC(N(CC(=O)N[C@H](C)C(=O)N(C)C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000107049707 560895195 /nfs/dbraw/zinc/89/51/95/560895195.db2.gz CWVNGBSHLZZPPF-WVNPWQTNSA-N 0 3 405.558 3.750 50 0 HHAAHN O=C(CCOc1ccccc1-c1ccccc1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000048264364 568433862 /nfs/dbraw/zinc/43/38/62/568433862.db2.gz ZDYTVWKJCFHVFZ-JOCHJYFZSA-N 0 3 408.542 3.836 50 0 HHAAHN CCN1CCN(Cc2ccc(CNC(=O)CCOc3ccc(C)cc3C)cc2)CC1 ZINC000048300603 568437438 /nfs/dbraw/zinc/43/74/38/568437438.db2.gz BQXNERVFRKQXSY-UHFFFAOYSA-N 0 3 409.574 3.526 50 0 HHAAHN CC(=O)N[C@H](CC(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccc(Cl)cc1 ZINC000048325190 568438600 /nfs/dbraw/zinc/43/86/00/568438600.db2.gz FUIFTEFFDDYBPW-FGZHOGPDSA-N 0 3 413.949 3.861 50 0 HHAAHN CCN1CCN(Cc2ccc(NC(=O)c3noc4c3COc3ccccc3-4)cc2)CC1 ZINC000020484797 568612914 /nfs/dbraw/zinc/61/29/14/568612914.db2.gz YFAGJHQBDPIBHE-UHFFFAOYSA-N 0 3 418.497 3.624 50 0 HHAAHN C[C@H]1CCCCN1c1cc(C(=O)Nc2cccc(CCN3CCN(C)CC3)c2)ccn1 ZINC000095457796 568618788 /nfs/dbraw/zinc/61/87/88/568618788.db2.gz YYJMSBNUBYZPMA-FQEVSTJZSA-N 0 3 421.589 3.503 50 0 HHAAHN CC[C@@H](CNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1)Oc1ccccc1F ZINC000225475070 568641147 /nfs/dbraw/zinc/64/11/47/568641147.db2.gz ZINRJBJKIHPVAJ-IBGZPJMESA-N 0 3 424.520 3.838 50 0 HHAAHN CC(C)C(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000020762592 568642684 /nfs/dbraw/zinc/64/26/84/568642684.db2.gz RTSCTICDMHXMOB-RXVVDRJESA-N 0 3 409.578 3.711 50 0 biogenic HHAAHN CCOc1ccc([C@@H](c2c(O)cc(C)n(CCOC)c2=O)N2CCC(C)CC2)cc1 ZINC000021098019 568665893 /nfs/dbraw/zinc/66/58/93/568665893.db2.gz CZZCLRXJWPSNDV-QHCPKHFHSA-N 0 3 414.546 3.729 50 0 HHAAHN COc1c(Br)cc(Br)cc1CN[C@H](C)Cn1cccn1 ZINC000030904395 568686868 /nfs/dbraw/zinc/68/68/68/568686868.db2.gz OVJZLFZEZTUUHI-SNVBAGLBSA-N 0 3 403.118 3.595 50 0 HHAAHN CCN1CCC[C@@H]1CNC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O ZINC000096114036 568693737 /nfs/dbraw/zinc/69/37/37/568693737.db2.gz BMNPEPNKPALZFA-QGZVFWFLSA-N 0 3 410.514 3.998 50 0 biogenic HHAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)c1 ZINC000229958549 568715946 /nfs/dbraw/zinc/71/59/46/568715946.db2.gz QFVMNMQOBFOZIG-BHDDXSALSA-N 0 3 400.434 3.752 50 0 HHAAHN COc1ccccc1CCN1CCC(CN(C)C(=O)c2cccc(N(C)C)c2)CC1 ZINC000012437738 568723126 /nfs/dbraw/zinc/72/31/26/568723126.db2.gz VDAGQLKITMMQNF-UHFFFAOYSA-N 0 3 409.574 3.788 50 0 HHAAHN Cc1ccccc1CNc1nc(N2CCN(C3CCCCC3)CC2)nc2c1cnn2C ZINC000021930482 568761642 /nfs/dbraw/zinc/76/16/42/568761642.db2.gz CZVGLEDMJFFKDJ-UHFFFAOYSA-N 0 3 419.577 3.739 50 0 HHAAHN CN(C)C[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccccc1 ZINC000028084919 568779304 /nfs/dbraw/zinc/77/93/04/568779304.db2.gz JKPMGQLZTDFSMZ-NRFANRHFSA-N 0 3 409.917 3.583 50 0 HHAAHN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000055748715 568782934 /nfs/dbraw/zinc/78/29/34/568782934.db2.gz QBVKBHYCCRSXQX-YESZJQIVSA-N 0 3 402.970 3.989 50 0 HHAAHN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000055748713 568782966 /nfs/dbraw/zinc/78/29/66/568782966.db2.gz QBVKBHYCCRSXQX-IXDOHACOSA-N 0 3 402.970 3.989 50 0 HHAAHN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC1CCN(C2CC2)CC1 ZINC000029095488 568819108 /nfs/dbraw/zinc/81/91/08/568819108.db2.gz HKMSOGYERZKQGD-NSHDSACASA-N 0 3 401.732 3.613 50 0 HHAAHN CCc1ccc([C@@H]2NC(=O)NC(CN(CC)Cc3ccccc3)=C2C(=O)OC)cc1 ZINC000057415152 568833714 /nfs/dbraw/zinc/83/37/14/568833714.db2.gz DZWDAOIHVIIFLB-QFIPXVFZSA-N 0 3 407.514 3.552 50 0 HHAAHN CCOC(=O)c1ccc(NC(=S)N(CCN(C)C)[C@H](C)c2ccncc2)cc1 ZINC000003049961 568849937 /nfs/dbraw/zinc/84/99/37/568849937.db2.gz DWLSOWMGPHYQCF-MRXNPFEDSA-N 0 3 400.548 3.580 50 0 HHAAHN CC(C)Cn1cnc2sc3c(c2c1=O)CC[C@@H](N1CCN(C2CCCC2)CC1)C3 ZINC000299765802 568873738 /nfs/dbraw/zinc/87/37/38/568873738.db2.gz BNHHESRVPQEFHM-GOSISDBHSA-N 0 3 414.619 3.532 50 0 HHAAHN NC(=O)C1CCN(Cc2cccc(NC(=O)Cc3c(Cl)cccc3Cl)c2)CC1 ZINC000059257425 568919802 /nfs/dbraw/zinc/91/98/02/568919802.db2.gz NYINDGDEASBZRD-UHFFFAOYSA-N 0 3 420.340 3.872 50 0 HHAAHN CN(CCCNC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)Cc1ccccc1 ZINC000012744597 568930851 /nfs/dbraw/zinc/93/08/51/568930851.db2.gz XPCKEYXRZYUJPW-UHFFFAOYSA-N 0 3 415.537 3.722 50 0 HHAAHN CN(C)[C@H](CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000012762633 568946526 /nfs/dbraw/zinc/94/65/26/568946526.db2.gz YTNINSKYLUCLTC-OAQYLSRUSA-N 0 3 413.949 3.611 50 0 HHAAHN CCOCCCN[C@@H](C)C(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC ZINC000006206902 569033096 /nfs/dbraw/zinc/03/30/96/569033096.db2.gz ADELDTMOYXWERG-HNNXBMFYSA-N 0 3 404.532 3.935 50 0 HHAAHN Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)NCCN4CCCCCC4)C3)nn2)cc1 ZINC000035398125 569035033 /nfs/dbraw/zinc/03/50/33/569035033.db2.gz GYLMMQKSRUSTLL-JOCHJYFZSA-N 0 3 421.589 3.661 50 0 HHAAHN Cc1c(NC(=O)CCN(C)Cc2ccc(Cl)s2)c(=O)n(-c2ccccc2)n1C ZINC000012977960 569042476 /nfs/dbraw/zinc/04/24/76/569042476.db2.gz WSHRKENQDYHRDV-UHFFFAOYSA-N 0 3 418.950 3.660 50 0 HHAAHN COc1c(C)cc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cc1C ZINC000023127727 569047111 /nfs/dbraw/zinc/04/71/11/569047111.db2.gz ZNTRZTRTAHSCGJ-UHFFFAOYSA-N 0 3 408.589 3.564 50 0 HHAAHN CN(C)CCOc1cc(NC(=O)c2cc3cc(Br)ccc3o2)ccn1 ZINC000089314363 569058489 /nfs/dbraw/zinc/05/84/89/569058489.db2.gz BGPOJIALNWDJMI-UHFFFAOYSA-N 0 3 404.264 3.783 50 0 HHAAHN Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccco2)cc1 ZINC000036101910 569091706 /nfs/dbraw/zinc/09/17/06/569091706.db2.gz WISGNRLFAGCNKS-NRFANRHFSA-N 0 3 409.482 3.897 50 0 HHAAHN Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C[C@@H](O)COCc2ccco2)cc1 ZINC000036101912 569091781 /nfs/dbraw/zinc/09/17/81/569091781.db2.gz WISGNRLFAGCNKS-OAQYLSRUSA-N 0 3 409.482 3.897 50 0 HHAAHN Cc1ccc2[nH]c(=O)c(CCC(=O)NCCCN3CCc4ccccc4C3)cc2c1 ZINC000065245491 569205186 /nfs/dbraw/zinc/20/51/86/569205186.db2.gz BNIJOGBMEMRYIE-UHFFFAOYSA-N 0 3 403.526 3.746 50 0 HHAAHN CCN(CCNC(=O)CCc1cc2cc(OC)ccc2[nH]c1=O)Cc1ccccc1 ZINC000065245556 569205323 /nfs/dbraw/zinc/20/53/23/569205323.db2.gz CEGBICXYSXMYGI-UHFFFAOYSA-N 0 3 407.514 3.520 50 0 HHAAHN COc1ccc(NC(=O)c2cccc(N3CCN[C@H](c4ccccc4)C3)n2)cc1OC ZINC000065256253 569208168 /nfs/dbraw/zinc/20/81/68/569208168.db2.gz SLQKIHIQDWGXCK-FQEVSTJZSA-N 0 3 418.497 3.502 50 0 HHAAHN COc1ccc(OC)c(NC(=O)c2ccnc(N3CCN[C@@H](c4ccccc4)C3)c2)c1 ZINC000065256375 569208423 /nfs/dbraw/zinc/20/84/23/569208423.db2.gz RNHHRHSRPRHXDA-OAQYLSRUSA-N 0 3 418.497 3.502 50 0 HHAAHN COc1ccc(CN[C@@H]2CCN(c3ccc(C(=O)Nc4ccccc4)cn3)C2)cc1 ZINC000065257035 569208722 /nfs/dbraw/zinc/20/87/22/569208722.db2.gz ROZFIMLOOJOCDP-OAQYLSRUSA-N 0 3 402.498 3.711 50 0 HHAAHN Cc1nc(CNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c2ccccn12 ZINC000089708984 569262840 /nfs/dbraw/zinc/26/28/40/569262840.db2.gz ZDLYZFDDMVHNFJ-UHFFFAOYSA-N 0 3 403.813 3.793 50 0 HHAAHN Cc1cc(CNCCOc2ncc(C(F)(F)F)cc2Cl)ccc1-n1cncn1 ZINC000237626163 569281821 /nfs/dbraw/zinc/28/18/21/569281821.db2.gz ZQFKKGCBNWPWSE-UHFFFAOYSA-N 0 3 411.815 3.812 50 0 HHAAHN O=C(COCc1ccccc1Cl)N1CCC[C@@H](c2n[nH]cc2CN2CCCC2)C1 ZINC000253419188 569367713 /nfs/dbraw/zinc/36/77/13/569367713.db2.gz AUDRCXBTZQKOOB-QGZVFWFLSA-N 0 3 416.953 3.582 50 0 HHAAHN COc1ccc(NC(=O)NCC2CCN(Cc3ccc(F)cc3)CC2)cc1OC ZINC000013363863 569412106 /nfs/dbraw/zinc/41/21/06/569412106.db2.gz LFLXJXCBMBBJBX-UHFFFAOYSA-N 0 3 401.482 3.877 50 0 HHAAHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000078802965 569420473 /nfs/dbraw/zinc/42/04/73/569420473.db2.gz GGKRLRGYUJMETB-QGZVFWFLSA-N 0 3 400.906 3.563 50 0 HHAAHN CCOc1c(Br)cc(Br)cc1CNCCCn1cccn1 ZINC000040088601 571158992 /nfs/dbraw/zinc/15/89/92/571158992.db2.gz ILEWFKDEAJQCKA-UHFFFAOYSA-N 0 3 417.145 3.987 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)N[C@H](C)CCc3ccc(O)cc3)c(C)c2)CC1 ZINC000040103844 571164518 /nfs/dbraw/zinc/16/45/18/571164518.db2.gz KPNFPABQRINSKN-LJQANCHMSA-N 0 3 410.562 3.985 50 0 HHAAHN Cc1ccc(-c2nc(CS(=O)(=O)C(C)C(=O)N3C[C@H](C)C[C@H](C)C3)cs2)cc1 ZINC000040106308 571166982 /nfs/dbraw/zinc/16/69/82/571166982.db2.gz QVBNLLTVAPYTGH-IXDOHACOSA-N 0 3 420.600 3.926 50 0 HHAAHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)NCc1ccc2c(c1)OCO2 ZINC000040150037 571198516 /nfs/dbraw/zinc/19/85/16/571198516.db2.gz BMDFZRATMIRXRR-JOCHJYFZSA-N 0 3 409.530 3.688 50 0 HHAAHN CN1CCCN(c2ccc(CNC(=O)c3cccc(Oc4ccccc4)c3)cn2)CC1 ZINC000040152043 571199834 /nfs/dbraw/zinc/19/98/34/571199834.db2.gz MQXVHNNBJOMXFT-UHFFFAOYSA-N 0 3 416.525 3.946 50 0 HHAAHN C[C@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1ccc(Br)cc1 ZINC000069352135 571223033 /nfs/dbraw/zinc/22/30/33/571223033.db2.gz MXIACQKIYDHCLK-YJBOKZPZSA-N 0 3 402.336 3.934 50 0 HHAAHN CC(C)C[C@@H](NC(=O)C1CCCCC1)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000009668190 571278263 /nfs/dbraw/zinc/27/82/63/571278263.db2.gz ZDFKKDSCCXJZDT-JOCHJYFZSA-N 0 3 401.595 3.688 50 0 HHAAHN COc1cccc2sc(N(C)CC(=O)NC3CCN(Cc4ccccc4)CC3)nc21 ZINC000070973414 571283947 /nfs/dbraw/zinc/28/39/47/571283947.db2.gz ZWHUQGUPWSWVPG-UHFFFAOYSA-N 0 3 424.570 3.522 50 0 HHAAHN O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1 ZINC000009980937 571293397 /nfs/dbraw/zinc/29/33/97/571293397.db2.gz MCBOKSVHXVSRNM-UHFFFAOYSA-N 0 3 419.569 3.841 50 0 HHAAHN CCN(CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@@H]1c1ccc(F)cc1 ZINC000010233205 571297698 /nfs/dbraw/zinc/29/76/98/571297698.db2.gz QIAXQKFYBSWGRQ-NRFANRHFSA-N 0 3 424.472 3.828 50 0 HHAAHN CN(C)[C@@H](CNC(=O)C(=O)NCc1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000010333465 571300538 /nfs/dbraw/zinc/30/05/38/571300538.db2.gz CLXWFCKTOPBOOV-NRFANRHFSA-N 0 3 409.917 3.529 50 0 HHAAHN O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](c1cccc2ccccc21)N1CCCC1 ZINC000010333948 571300664 /nfs/dbraw/zinc/30/06/64/571300664.db2.gz URVVAWJPHQMTJX-QHCPKHFHSA-N 0 3 419.500 3.548 50 0 HHAAHN CCNC(=O)[C@H]1C[C@H](c2ccc(F)c(C)c2)CN(Cc2cc(OC)cc(OC)c2)C1 ZINC000034716731 571316353 /nfs/dbraw/zinc/31/63/53/571316353.db2.gz OOEVUBROORSHKM-PMACEKPBSA-N 0 3 414.521 3.893 50 0 HHAAHN O=C(NC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@H]12 ZINC000035871503 571317115 /nfs/dbraw/zinc/31/71/15/571317115.db2.gz HYJDCEDDPYFPOB-UYAOXDASSA-N 0 3 407.480 3.590 50 0 HHAAHN COC(=O)c1ccc(CN2CCC(O)(c3ccc(Br)cc3)CC2)cc1 ZINC000006667494 960940795 /nfs/dbraw/zinc/94/07/95/960940795.db2.gz JYFCYZQTEQBQNG-UHFFFAOYSA-N 0 3 404.304 3.719 50 0 HHAAHN CCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccccc1-c1ccco1)CC2)C(C)C ZINC000012244632 962257185 /nfs/dbraw/zinc/25/71/85/962257185.db2.gz NZSSLEPOFBQRNP-QHCPKHFHSA-N 0 3 421.545 3.820 50 0 HHAAHN CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccccc1-c1ccco1)CC2)C(C)C ZINC000012244633 962257552 /nfs/dbraw/zinc/25/75/52/962257552.db2.gz NZSSLEPOFBQRNP-HSZRJFAPSA-N 0 3 421.545 3.820 50 0 HHAAHN O=C(NC1CCCC1)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2ccncc2)C1 ZINC000014733159 962563708 /nfs/dbraw/zinc/56/37/08/962563708.db2.gz NPFNIZVWTIHQMC-VQTJNVASSA-N 0 3 411.521 3.797 50 0 HHAAHN CCOCc1cc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)ccc1OC ZINC000020351563 963387475 /nfs/dbraw/zinc/38/74/75/963387475.db2.gz NZYMIKFQMFWQBR-DEOSSOPVSA-N 0 3 412.574 3.609 50 0 HHAAHN Fc1ccc(N2CCN([C@H]3CCCN(Cc4ccc5nsnc5c4)C3)CC2)cc1 ZINC000022912925 963738193 /nfs/dbraw/zinc/73/81/93/963738193.db2.gz VNEUDZZNNUUXDR-FQEVSTJZSA-N 0 3 411.550 3.617 50 0 HHAAHN CCCCc1ccc(NC(=O)N[C@H]2CCN(c3cc(N4CCCC4)cnn3)C2)cc1 ZINC000409419926 972891156 /nfs/dbraw/zinc/89/11/56/972891156.db2.gz RVOUKZQPNPRWBZ-FQEVSTJZSA-N 0 3 408.550 3.820 50 0 HHAAHN CC(C)NC(=O)[C@@H]1C[C@@H](NCc2ccc(F)c(F)c2)CN1Cc1ccccc1Cl ZINC000032541529 519714726 /nfs/dbraw/zinc/71/47/26/519714726.db2.gz WSWWCFGOLVICTK-UTKZUKDTSA-N 0 3 421.919 3.876 50 0 HHAAHN CCOc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(OC)cc3)N(C)C)no2)cc1 ZINC000032622942 520805424 /nfs/dbraw/zinc/80/54/24/520805424.db2.gz PIDJRPRIPBFZPH-OAQYLSRUSA-N 0 3 409.486 3.782 50 0 HHAAHN CCOc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(OC)cc3)N(C)C)no2)cc1 ZINC000032622943 520806182 /nfs/dbraw/zinc/80/61/82/520806182.db2.gz PIDJRPRIPBFZPH-NRFANRHFSA-N 0 3 409.486 3.782 50 0 HHAAHN CC[C@H](CN(C)Cc1ccccc1)NC(=O)Cc1ccc2nc(NC(C)=O)sc2c1 ZINC000032959607 522168455 /nfs/dbraw/zinc/16/84/55/522168455.db2.gz ATYAXPDPKWMATM-LJQANCHMSA-N 0 3 424.570 3.824 50 0 HHAAHN COc1ccc(C(=O)N(C)C[C@@H]2CCCCO2)cc1OC1CCN(C(C)C)CC1 ZINC000020601361 523602299 /nfs/dbraw/zinc/60/22/99/523602299.db2.gz FRQBEIIIKFSJOM-FQEVSTJZSA-N 0 3 404.551 3.588 50 0 HHAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032899697 526578840 /nfs/dbraw/zinc/57/88/40/526578840.db2.gz OANSZYURNYWIGX-FYYLOGMGSA-N 0 3 423.532 3.631 50 0 HHAAHN CC(C)(CO)NCc1cc(I)ccc1OCc1ccccc1 ZINC000002881905 557419678 /nfs/dbraw/zinc/41/96/78/557419678.db2.gz IPXRMZAXIXYVAS-UHFFFAOYSA-N 0 3 411.283 3.731 50 0 HHAAHN O=C(NCCN1CCCC1)C1CCN(c2nc3ccccc3n2C2CCCCC2)CC1 ZINC000034906571 557473456 /nfs/dbraw/zinc/47/34/56/557473456.db2.gz LEEXCUUJXAYQJD-UHFFFAOYSA-N 0 3 423.605 3.970 50 0 HHAAHN COc1ccc(CCN(C)C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1OC ZINC000004177184 557525072 /nfs/dbraw/zinc/52/50/72/557525072.db2.gz KRUXPENPUGDVMQ-HXUWFJFHSA-N 0 3 414.521 3.756 50 0 HHAAHN COc1ccccc1C1CCN(Cc2cccc(C(=O)N3CCC(O)CC3)c2)CC1 ZINC000004324938 557541916 /nfs/dbraw/zinc/54/19/16/557541916.db2.gz HDNAQFOUEZTRAC-UHFFFAOYSA-N 0 3 408.542 3.672 50 0 HHAAHN COc1cccc(CNCCCN2CCOCC2)c1OCc1ccc(Cl)cc1 ZINC000005019610 557626549 /nfs/dbraw/zinc/62/65/49/557626549.db2.gz WOTBJFKVUDRNQB-UHFFFAOYSA-N 0 3 404.938 3.740 50 0 HHAAHN CN(Cc1cc[nH]n1)C(=O)c1cccc(OC2CCN(CCc3ccccc3)CC2)c1 ZINC000011663588 558267414 /nfs/dbraw/zinc/26/74/14/558267414.db2.gz FGNLUCABSFQRDL-UHFFFAOYSA-N 0 3 418.541 3.768 50 0 HHAAHN COCCCC1CCN(Cc2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000011664103 558267597 /nfs/dbraw/zinc/26/75/97/558267597.db2.gz IXYNPMOJBDXGEU-UHFFFAOYSA-N 0 3 403.523 3.741 50 0 HHAAHN CN(C)[C@@H]1CCN(C(=O)c2csc3nc(-c4cccc(C(F)(F)F)c4)cn23)C1 ZINC000011753657 558272473 /nfs/dbraw/zinc/27/24/73/558272473.db2.gz GCUWPQFDUKLSGJ-CQSZACIVSA-N 0 3 408.449 3.858 50 0 HHAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCC(=O)N(C2CCCCCC2)C1 ZINC000011770265 558274376 /nfs/dbraw/zinc/27/43/76/558274376.db2.gz IAEXNCQILPFEDN-OAQYLSRUSA-N 0 3 411.590 3.729 50 0 HHAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)c2ccccc2N(C)C)C1 ZINC000011873498 558291183 /nfs/dbraw/zinc/29/11/83/558291183.db2.gz WGTSNFNHLLTOBJ-HXUWFJFHSA-N 0 3 409.574 3.788 50 0 HHAAHN CN(Cc1cscn1)C(=O)[C@H]1CC12CCN(Cc1cn(C)c3ccccc13)CC2 ZINC000011881539 558295208 /nfs/dbraw/zinc/29/52/08/558295208.db2.gz ZXCYWQGODADRLZ-HXUWFJFHSA-N 0 3 408.571 3.896 50 0 HHAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)Cc2sc(C)nc2C)C1 ZINC000012053367 558314920 /nfs/dbraw/zinc/31/49/20/558314920.db2.gz JHNNAYFIPSSUKS-IBGZPJMESA-N 0 3 415.603 3.724 50 0 HHAAHN COC[C@H]1CCN(Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000012074210 558318914 /nfs/dbraw/zinc/31/89/14/558318914.db2.gz NYLCWZPUVBALBO-IBGZPJMESA-N 0 3 405.498 3.795 50 0 HHAAHN CN(C(=O)c1cnn(Cc2ccccc2)c1)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012092975 558324678 /nfs/dbraw/zinc/32/46/78/558324678.db2.gz GEMIQXMTTZAHJO-XMMPIXPASA-N 0 3 414.553 3.635 50 0 HHAAHN CC(=O)Nc1cccc(C(=O)N(C)C[C@H]2CCCN(CCc3ccc(F)cc3)C2)c1 ZINC000012093300 558324687 /nfs/dbraw/zinc/32/46/87/558324687.db2.gz MQSGBXKYLGZAAP-HXUWFJFHSA-N 0 3 411.521 3.811 50 0 HHAAHN O=C1CC[C@H](CCNCc2cc3c(cc2Cl)OCO3)N1CCc1ccc(F)cc1 ZINC000012099405 558325598 /nfs/dbraw/zinc/32/55/98/558325598.db2.gz IAEUTGPQXMPGIS-GOSISDBHSA-N 0 3 418.896 3.921 50 0 HHAAHN Cc1ccccc1NC(=O)CC1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21 ZINC000020103535 558332737 /nfs/dbraw/zinc/33/27/37/558332737.db2.gz SRJAAHRUGMUFGU-NRFANRHFSA-N 0 3 411.465 3.856 50 0 HHAAHN Cc1ccc(C)c(-n2cc(CNCCN3CCC(O)CC3)c(-c3ccccc3)n2)c1 ZINC000020256366 558352192 /nfs/dbraw/zinc/35/21/92/558352192.db2.gz LLBBXTBGKCNMHK-UHFFFAOYSA-N 0 3 404.558 3.702 50 0 HHAAHN O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1cccc(Br)c1 ZINC000020292429 558354162 /nfs/dbraw/zinc/35/41/62/558354162.db2.gz VLGTUQTYPLSKRV-UHFFFAOYSA-N 0 3 402.336 3.596 50 0 HHAAHN Cc1ccc(C)c(OCc2cc(C(=O)N3CCC(N4CCSCC4)CC3)no2)c1 ZINC000012301480 558371181 /nfs/dbraw/zinc/37/11/81/558371181.db2.gz VXCLMRIYXHHNPC-UHFFFAOYSA-N 0 3 415.559 3.524 50 0 HHAAHN COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C/C(C)=C/c3ccccc3)C2)cc1 ZINC000012303692 558373059 /nfs/dbraw/zinc/37/30/59/558373059.db2.gz UXTOBSWROYPEKZ-DQYQWZCESA-N 0 3 414.571 3.789 50 0 HHAAHN COc1ccccc1CCN1CCC(CN(C)C(=O)c2ccccc2N(C)C)CC1 ZINC000012320823 558382645 /nfs/dbraw/zinc/38/26/45/558382645.db2.gz JWGYDRMXHOGXCW-UHFFFAOYSA-N 0 3 409.574 3.788 50 0 HHAAHN CCN1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000020517727 558383164 /nfs/dbraw/zinc/38/31/64/558383164.db2.gz PANHUMAEPJBRCQ-ISPGYRLHSA-N 0 3 409.917 3.942 50 0 HHAAHN CC(=O)Nc1ccc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cc1 ZINC000012385192 558394282 /nfs/dbraw/zinc/39/42/82/558394282.db2.gz UXWOJHOVHXYMRW-UHFFFAOYSA-N 0 3 409.534 3.807 50 0 HHAAHN CCOC(=O)C1CCN(C(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000020728653 558405683 /nfs/dbraw/zinc/40/56/83/558405683.db2.gz CZNAAOIKRGUJBB-UHFFFAOYSA-N 0 3 406.526 3.510 50 0 HHAAHN Cc1nn(-c2ncccn2)c2c1C(C(=O)c1ccc(Br)cc1)CC(=O)N2 ZINC000020730854 558406638 /nfs/dbraw/zinc/40/66/38/558406638.db2.gz ZGRHHLCWWYBALD-CYBMUJFWSA-N 0 3 412.247 3.691 50 0 HHAAHN Cc1cc(C)n(-c2cccc(CN3CCC[C@H](CNC(=O)c4cccnc4)C3)c2)n1 ZINC000012573404 558430071 /nfs/dbraw/zinc/43/00/71/558430071.db2.gz FXSJAHHAYWKJFM-OAQYLSRUSA-N 0 3 403.530 3.526 50 0 HHAAHN O=C(c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)N1CCCC[C@H]1CO ZINC000012576186 558430947 /nfs/dbraw/zinc/43/09/47/558430947.db2.gz POLLRBDTDATIEU-QHCPKHFHSA-N 0 3 422.569 3.760 50 0 HHAAHN COc1cccc(C[C@]2(CO)CCCN(Cc3cc(OC)c(OC)c(OC)c3)C2)c1 ZINC000012713541 558453838 /nfs/dbraw/zinc/45/38/38/558453838.db2.gz OUGOFHJTTPSDML-XMMPIXPASA-N 0 3 415.530 3.538 50 0 HHAAHN CN(C)CCOc1ccccc1C(=O)N[C@H]1CCc2c1cccc2Br ZINC000072095139 558460003 /nfs/dbraw/zinc/46/00/03/558460003.db2.gz FMYDDBUAOYRBLT-SFHVURJKSA-N 0 3 403.320 3.807 50 0 HHAAHN C[C@@H](CC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)NC(=O)c1ccccc1 ZINC000022681454 558504421 /nfs/dbraw/zinc/50/44/21/558504421.db2.gz ZCKYHIMSUCITGF-AZUAARDMSA-N 0 3 413.587 3.846 50 0 HHAAHN CN(CCc1ccccc1)Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000023128944 558536604 /nfs/dbraw/zinc/53/66/04/558536604.db2.gz DUEYJYGKJWDQKJ-XMMPIXPASA-N 0 3 415.537 3.857 50 0 HHAAHN O=C(CC1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1cccc(F)c1 ZINC000023382405 558555938 /nfs/dbraw/zinc/55/59/38/558555938.db2.gz SSUSHHKAPOPJHE-HXUWFJFHSA-N 0 3 415.428 3.687 50 0 HHAAHN CCOc1cc2c(cc1CNC[C@@H](c1cccs1)N1CCOCC1)O[C@@H](C)C2 ZINC000024763104 558611294 /nfs/dbraw/zinc/61/12/94/558611294.db2.gz SFCMUGLNFWUXPT-LPHOPBHVSA-N 0 3 402.560 3.633 50 0 HHAAHN CCc1ccc([C@H](CNC(=O)c2ccc(OCc3noc(C)n3)cc2)N(C)C)cc1 ZINC000027597769 558677092 /nfs/dbraw/zinc/67/70/92/558677092.db2.gz REPKGFWHHISLCX-NRFANRHFSA-N 0 3 408.502 3.552 50 0 HHAAHN Cc1nn(C)c2nc(C3CC3)cc(C(=O)NC[C@@H](c3cccs3)N3CCCC3)c12 ZINC000027608037 558677361 /nfs/dbraw/zinc/67/73/61/558677361.db2.gz OWJOZEKWUJBHCE-SFHVURJKSA-N 0 3 409.559 3.783 50 0 HHAAHN CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(Cc2cccc3nonc32)C1 ZINC000014951057 558680989 /nfs/dbraw/zinc/68/09/89/558680989.db2.gz AKVZWAUMWGIDDZ-QHCPKHFHSA-N 0 3 409.486 3.619 50 0 HHAAHN CN(C)C[C@](C)(O)c1ccc2c(c1)CN(Cc1cccc(C(F)(F)F)c1)CCO2 ZINC000014999871 558697333 /nfs/dbraw/zinc/69/73/33/558697333.db2.gz FFLFRZMXDFHKMH-NRFANRHFSA-N 0 3 408.464 3.869 50 0 HHAAHN CCN1CCN(C2(CNC(=O)c3ccc(OCC(C)C)cc3)CCCCC2)CC1 ZINC000028293134 558698338 /nfs/dbraw/zinc/69/83/38/558698338.db2.gz DCGXABFRUSSOSI-UHFFFAOYSA-N 0 3 401.595 3.792 50 0 HHAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1ccccc1C(F)(F)F ZINC000029161920 558710906 /nfs/dbraw/zinc/71/09/06/558710906.db2.gz PJCCOZOSDFNHNM-UHFFFAOYSA-N 0 3 405.464 3.643 50 0 HHAAHN Cc1ccc(OCc2cc(C(=O)NCCN3CCC[C@@H](c4ccccc4)C3)no2)cn1 ZINC000015069330 558711652 /nfs/dbraw/zinc/71/16/52/558711652.db2.gz CKZVSHYEGODUDV-HXUWFJFHSA-N 0 3 420.513 3.566 50 0 HHAAHN COc1ccc(NC(=O)c2c(NC(=O)CNC(C)(C)C)sc3c2CCC3)cc1 ZINC000004553408 558720583 /nfs/dbraw/zinc/72/05/83/558720583.db2.gz ICPICCRLTPIWRT-UHFFFAOYSA-N 0 3 401.532 3.824 50 0 HHAAHN CCCC(=O)OC[C@@H](O)CN(Cc1cccn1Cc1cccc(F)c1)CC(C)C ZINC000004585921 558781305 /nfs/dbraw/zinc/78/13/05/558781305.db2.gz UFXLININODCTHK-QFIPXVFZSA-N 0 3 404.526 3.838 50 0 HHAAHN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(O)c1)N(CCCN(C)C)C3=O ZINC000016741925 558803897 /nfs/dbraw/zinc/80/38/97/558803897.db2.gz YRKBBNSIMMLVSP-OAQYLSRUSA-N 0 3 406.482 3.612 50 0 HHAAHN COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000016750756 558804572 /nfs/dbraw/zinc/80/45/72/558804572.db2.gz AOSFJTAYTCVOBQ-OAQYLSRUSA-N 0 3 406.482 3.607 50 0 HHAAHN COc1cccc(CN2CCN(C3CCN(c4ccccc4C)CC3)C[C@H]2CCO)c1 ZINC000038149457 558811006 /nfs/dbraw/zinc/81/10/06/558811006.db2.gz GDIWPBQWHPQJDD-XMMPIXPASA-N 0 3 423.601 3.541 50 0 HHAAHN COc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4cc(Cl)ccc4C)C3=O)c2c1 ZINC000018088216 558830974 /nfs/dbraw/zinc/83/09/74/558830974.db2.gz ALRLARFVZSBGAT-IBGZPJMESA-N 0 3 411.889 3.603 50 0 HHAAHN CCOc1ccccc1N1C(=O)C[C@H](NCCc2c[nH]c3ccc(Cl)cc23)C1=O ZINC000018088266 558831003 /nfs/dbraw/zinc/83/10/03/558831003.db2.gz BOPISWQPFYPLPU-SFHVURJKSA-N 0 3 411.889 3.684 50 0 HHAAHN O=C1C[C@H](NCCc2c[nH]c3ccc(Cl)cc23)C(=O)N1c1cccc(Cl)c1 ZINC000018244418 558834416 /nfs/dbraw/zinc/83/44/16/558834416.db2.gz ZPQGNKIGSXBTTC-SFHVURJKSA-N 0 3 402.281 3.939 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)NCCO[C@@H]3CCCC[C@H]3C)cc2C)CC1 ZINC000058109346 558899291 /nfs/dbraw/zinc/89/92/91/558899291.db2.gz NJFJDDUSOHOYLO-XMSQKQJNSA-N 0 3 402.583 3.854 50 0 HHAAHN COc1ccc(C)cc1NC(=O)CNC(=O)CN(CCc1ccccc1)C1CCCC1 ZINC000058306344 558918324 /nfs/dbraw/zinc/91/83/24/558918324.db2.gz QHOLZANIEZXAAP-UHFFFAOYSA-N 0 3 423.557 3.546 50 0 HHAAHN Cc1ccc2c(C(=O)N(C)CC3CCN(C)CC3)cc(-c3cnn(C)c3)nc2c1C ZINC000063856931 558959815 /nfs/dbraw/zinc/95/98/15/558959815.db2.gz PHOUZXIOLOGJHJ-UHFFFAOYSA-N 0 3 405.546 3.666 50 0 HHAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1 ZINC000067604028 558988206 /nfs/dbraw/zinc/98/82/06/558988206.db2.gz NIUYCIYTHNTWMD-UHFFFAOYSA-N 0 3 417.916 3.530 50 0 HHAAHN CCOc1cc(CNCCNc2ccccn2)ccc1OCC(=O)Nc1ccccc1 ZINC000072310920 559163250 /nfs/dbraw/zinc/16/32/50/559163250.db2.gz XMIYSHLGKHOMTA-UHFFFAOYSA-N 0 3 420.513 3.700 50 0 HHAAHN CC(C)(C)c1ccc(C(=O)N2CCCCC(S(=O)(=O)c3ccccc3)C2=O)cc1 ZINC000004948997 559214747 /nfs/dbraw/zinc/21/47/47/559214747.db2.gz UTFHCYXDTYARDT-HXUWFJFHSA-N 0 3 413.539 3.979 50 0 HHAAHN CC(C)(C)c1ccc(C(=O)N2CCCCC(S(=O)(=O)c3ccccc3)C2=O)cc1 ZINC000004948996 559214788 /nfs/dbraw/zinc/21/47/88/559214788.db2.gz UTFHCYXDTYARDT-FQEVSTJZSA-N 0 3 413.539 3.979 50 0 HHAAHN COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000136046587 559276520 /nfs/dbraw/zinc/27/65/20/559276520.db2.gz AWYACEIVBOFBHB-FDFHNCONSA-N 0 3 418.424 3.885 50 0 HHAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000136046587 559276522 /nfs/dbraw/zinc/27/65/22/559276522.db2.gz AWYACEIVBOFBHB-FDFHNCONSA-N 0 3 418.424 3.885 50 0 HHAAHN COc1ccc2c(c1)oc1c(c2=O)C(c2ccccc2F)N(c2cc(C)on2)C1=O ZINC000005245135 560550242 /nfs/dbraw/zinc/55/02/42/560550242.db2.gz GZCIYCLHJJJNES-LJQANCHMSA-N 0 3 406.369 3.987 50 0 HHAAHN COc1cc2cc(C(=O)Nc3ccc(OCCN4CCCC4)cc3)[nH]c2cc1OC ZINC000409415169 560588166 /nfs/dbraw/zinc/58/81/66/560588166.db2.gz WAIZRBURGOLUPN-UHFFFAOYSA-N 0 3 409.486 3.912 50 0 HHAAHN COC(=O)c1cnc2c(cnn2-c2ccccc2)c1N1CCN(C2CCCCC2)CC1 ZINC000003071358 560588871 /nfs/dbraw/zinc/58/88/71/560588871.db2.gz OCLSCBXGCGHFDB-UHFFFAOYSA-N 0 3 419.529 3.662 50 0 HHAAHN O=C1[C@@H]2C(c3ccc(Br)cc3)=NOC2=C([O-])N1c1cccc2ccccc21 ZINC000100852906 560760178 /nfs/dbraw/zinc/76/01/78/560760178.db2.gz WYZKGYKOYGOCGM-MJGOQNOKSA-N 0 3 421.250 3.895 50 0 HHAAHN Oc1c2onc(-c3ccc(Br)cc3)c2c(O)n1-c1cccc2ccccc21 ZINC000100852906 560760179 /nfs/dbraw/zinc/76/01/79/560760179.db2.gz WYZKGYKOYGOCGM-MJGOQNOKSA-N 0 3 421.250 3.895 50 0 HHAAHN COc1ccc(-n2nc(C)c3c2NC(=O)CC3C(=O)c2c(OC)cccc2OC)cc1 ZINC000046057815 568426373 /nfs/dbraw/zinc/42/63/73/568426373.db2.gz UWNRUXWRVMOVNW-MRXNPFEDSA-N 0 3 421.453 3.515 50 0 HHAAHN CCN1CCN(Cc2ccc(CNC(=O)CCOc3ccc(Cl)cc3)cc2)CC1 ZINC000048289346 568434974 /nfs/dbraw/zinc/43/49/74/568434974.db2.gz VFXGOOCKSRMFPO-UHFFFAOYSA-N 0 3 415.965 3.563 50 0 HHAAHN CCN(CC)[C@H](CNC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccsc1 ZINC000048311925 568437165 /nfs/dbraw/zinc/43/71/65/568437165.db2.gz KQWFCFCVAAEZMY-SUMWQHHRSA-N 0 3 402.520 3.672 50 0 HHAAHN CN(C)C[C@@H](CNC(=O)Nc1ccc(-c2nccs2)cc1)[C@@H](O)c1ccccc1 ZINC000048353523 568441188 /nfs/dbraw/zinc/44/11/88/568441188.db2.gz FLAKRGKWKBOZAI-QUCCMNQESA-N 0 3 410.543 3.843 50 0 HHAAHN CCOc1c(Br)cc(CNCCc2nnc3n2CCCCC3)cc1OC ZINC000048355321 568441366 /nfs/dbraw/zinc/44/13/66/568441366.db2.gz WWVCBJFXFCTJBE-UHFFFAOYSA-N 0 3 423.355 3.507 50 0 HHAAHN COC(=O)CCN(CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1)CC(C)C ZINC000048368995 568442215 /nfs/dbraw/zinc/44/22/15/568442215.db2.gz LQYFWCZZOMGVIX-JOCHJYFZSA-N 0 3 402.560 3.783 50 0 HHAAHN O=C(Nc1ccccc1)c1ccc(N2CC[C@H](NCc3ccc(F)c(F)c3)C2)nc1 ZINC000049420999 568450458 /nfs/dbraw/zinc/45/04/58/568450458.db2.gz AHTBNZDYUXLCJO-IBGZPJMESA-N 0 3 408.452 3.981 50 0 HHAAHN CC(C)[C@@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc12 ZINC000227309159 568703664 /nfs/dbraw/zinc/70/36/64/568703664.db2.gz DNLKODGNLMHUES-DJPFJPOOSA-N 0 3 401.869 3.899 50 0 HHAAHN O=C(CCN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cccc(F)c1 ZINC000028900889 568764546 /nfs/dbraw/zinc/76/45/46/568764546.db2.gz LHVROHGACMXYLQ-UHFFFAOYSA-N 0 3 410.415 3.780 50 0 HHAAHN CCOC(=O)c1c(C)n(CCN2CCN(c3ccccc3)CC2)c2ccc(OC)cc21 ZINC000055399067 568773536 /nfs/dbraw/zinc/77/35/36/568773536.db2.gz MKRQAHHZCCHZFK-UHFFFAOYSA-N 0 3 421.541 3.957 50 0 HHAAHN COc1ccc(NC(=O)c2ccccc2NC(=O)CNCCc2ccccc2)cc1 ZINC000002649496 568795885 /nfs/dbraw/zinc/79/58/85/568795885.db2.gz QLTNFLWWOYWKRK-UHFFFAOYSA-N 0 3 403.482 3.718 50 0 HHAAHN COC(=O)c1ccc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2cccc(OC)c2)C3)cc1 ZINC000012709803 568917630 /nfs/dbraw/zinc/91/76/30/568917630.db2.gz NBUSYOCFCCUMJP-VWLOTQADSA-N 0 3 422.525 3.610 50 0 HHAAHN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCCN(C)Cc1ccccc1 ZINC000012761772 568945811 /nfs/dbraw/zinc/94/58/11/568945811.db2.gz OXDOIHNXBWZNIW-NRFANRHFSA-N 0 3 415.965 3.733 50 0 HHAAHN COCCN1CCC[C@@H](CNC(=O)c2ccc3nc(-c4cccc(OC)c4)oc3c2)C1 ZINC000012762962 568946671 /nfs/dbraw/zinc/94/66/71/568946671.db2.gz LUDWIZQEBBXWGP-KRWDZBQOSA-N 0 3 423.513 3.592 50 0 HHAAHN CCOC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000035107886 568992297 /nfs/dbraw/zinc/99/22/97/568992297.db2.gz AHIUEMBECMBWDH-YLJYHZDGSA-N 0 3 411.550 3.685 50 0 biogenic HHAAHN O=C(NCC1CCN(Cc2ccccc2F)CC1)c1[nH]nc2c1CCc1ccccc1-2 ZINC000015772837 568998851 /nfs/dbraw/zinc/99/88/51/568998851.db2.gz ZJXXVCJGDPDMCW-UHFFFAOYSA-N 0 3 418.516 3.956 50 0 HHAAHN O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCN(c2ccncc2)CC1 ZINC000008429274 569002710 /nfs/dbraw/zinc/00/27/10/569002710.db2.gz CYEYZJKVEZWPST-UHFFFAOYSA-N 0 3 409.493 3.897 50 0 HHAAHN C[C@H]1CCCCN1CCNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000015862441 569015832 /nfs/dbraw/zinc/01/58/32/569015832.db2.gz YVEVAFCJAQVSJM-KRWDZBQOSA-N 0 3 420.985 3.965 50 0 HHAAHN CN(C)[C@@H](CNC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)Cc1ccccc1 ZINC000012910487 569021512 /nfs/dbraw/zinc/02/15/12/569021512.db2.gz HDZHJBPARLMSJE-OAQYLSRUSA-N 0 3 411.546 3.865 50 0 HHAAHN CN1CCC(C(=O)Nc2ccc3[nH]ccc3c2)(N2C(=O)C[C@H]2c2ccccc2)CC1 ZINC000575443674 569028506 /nfs/dbraw/zinc/02/85/06/569028506.db2.gz YBDXAJUBNWWRNY-NRFANRHFSA-N 0 3 402.498 3.544 50 0 HHAAHN CN(CCCNC(=O)c1cc2c(c3ccccc3oc2=O)n1C)Cc1ccccc1 ZINC000035396871 569034742 /nfs/dbraw/zinc/03/47/42/569034742.db2.gz DUKJNJJEUZELNS-UHFFFAOYSA-N 0 3 403.482 3.537 50 0 HHAAHN Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NCCN4CCCCCC4)C3)nn2)cc1 ZINC000035398124 569035046 /nfs/dbraw/zinc/03/50/46/569035046.db2.gz GYLMMQKSRUSTLL-QFIPXVFZSA-N 0 3 421.589 3.661 50 0 HHAAHN COc1cccc(Cn2ncc3ccc(C(=O)NCCN4CCC[C@@H](C)C4)cc32)c1 ZINC000035560004 569044889 /nfs/dbraw/zinc/04/48/89/569044889.db2.gz HAMFKZCDTWWXPW-GOSISDBHSA-N 0 3 406.530 3.555 50 0 HHAAHN O=S(=O)(c1ccccc1F)N1CCC[C@@H]1[C@H]1CCCN(Cc2ccccc2)C1 ZINC000239619620 569054465 /nfs/dbraw/zinc/05/44/65/569054465.db2.gz BFVNUDSALSSJKX-PZJWPPBQSA-N 0 3 402.535 3.891 50 0 HHAAHN Cc1nnc(CCC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(C(C)C)cc2)C3)[n-]1 ZINC000426518329 569073238 /nfs/dbraw/zinc/07/32/38/569073238.db2.gz NGAFXTWLHXTFEP-XMMPIXPASA-N 0 3 409.578 3.684 50 0 HHAAHN Cc1nnc(CCC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(C(C)C)cc2)C3)[n-]1 ZINC000426518329 569073239 /nfs/dbraw/zinc/07/32/39/569073239.db2.gz NGAFXTWLHXTFEP-XMMPIXPASA-N 0 3 409.578 3.684 50 0 HHAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1 ZINC000006654239 569082760 /nfs/dbraw/zinc/08/27/60/569082760.db2.gz PSGKARNVNMROKP-UHFFFAOYSA-N 0 3 410.514 3.691 50 0 HHAAHN CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)CN[C@H](C)c3ccccc3)cc21 ZINC000006732829 569104014 /nfs/dbraw/zinc/10/40/14/569104014.db2.gz UOVFGADLIZZKCT-APWZRJJASA-N 0 3 410.514 3.754 50 0 HHAAHN COc1ccc(-c2noc(-c3ccc(N4CCN(C5CCCCC5)CC4)nn3)n2)cc1 ZINC000064837944 569106098 /nfs/dbraw/zinc/10/60/98/569106098.db2.gz NGXSHWZCHJKNDA-UHFFFAOYSA-N 0 3 420.517 3.657 50 0 HHAAHN CCN(CC)c1nc(SCc2ccc(C(=O)NCCN(C)C)cc2)nc(C)c1C ZINC000006801947 569129675 /nfs/dbraw/zinc/12/96/75/569129675.db2.gz JWMRFRZMTRXAJJ-UHFFFAOYSA-N 0 3 415.607 3.523 50 0 HHAAHN Cn1nc(C(=O)NCCN(Cc2ccco2)C2CCCC2)c2c1-c1ccccc1OC2 ZINC000006817541 569138173 /nfs/dbraw/zinc/13/81/73/569138173.db2.gz CKMUAGHMJQRQQV-UHFFFAOYSA-N 0 3 420.513 3.747 50 0 HHAAHN O=C(NCCN1CCCCC1)c1ccc(-c2ccc(NCc3ccccc3)nn2)cc1 ZINC000064989267 569145877 /nfs/dbraw/zinc/14/58/77/569145877.db2.gz PNJOLNKJSBXHQK-UHFFFAOYSA-N 0 3 415.541 3.971 50 0 HHAAHN CN1CCN(CCCNC(=O)c2cc(F)c(F)cc2Cl)[C@H](c2ccccc2)C1 ZINC000036398584 569171559 /nfs/dbraw/zinc/17/15/59/569171559.db2.gz YEAOBLKYVJVGHI-FQEVSTJZSA-N 0 3 407.892 3.727 50 0 HHAAHN O=C(NCc1ccc(Cl)cc1)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1 ZINC000065255945 569208051 /nfs/dbraw/zinc/20/80/51/569208051.db2.gz LLKCYPYOONPQRF-NRFANRHFSA-N 0 3 406.917 3.816 50 0 HHAAHN COc1cc(NC(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]2C(F)(F)F)cc(OC)c1 ZINC000170614518 569247136 /nfs/dbraw/zinc/24/71/36/569247136.db2.gz NYQFFWVOAXLMOK-OALUTQOASA-N 0 3 408.420 3.953 50 0 HHAAHN CN(CCCNC(=O)Cc1csc(NC(=O)c2ccccc2)n1)Cc1ccccc1 ZINC000010089042 569253246 /nfs/dbraw/zinc/25/32/46/569253246.db2.gz XSEXSIGEDFEVEA-UHFFFAOYSA-N 0 3 422.554 3.576 50 0 HHAAHN CN(C)C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000007817524 569312852 /nfs/dbraw/zinc/31/28/52/569312852.db2.gz POWMXYORZGMPOL-OAQYLSRUSA-N 0 3 413.949 3.611 50 0 HHAAHN Cc1cc(C)c(N2CC[C@H](N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)C2=O)c(C)c1 ZINC000253429219 569368794 /nfs/dbraw/zinc/36/87/94/569368794.db2.gz MKESYZTUMLPMOO-UFYCRDLUSA-N 0 3 415.578 3.952 50 0 HHAAHN O=C(NCc1ccccc1CN1CCCCC1)c1cccc(CN2CCCC2=O)c1 ZINC000007941542 569401899 /nfs/dbraw/zinc/40/18/99/569401899.db2.gz CTXZVAVJSYABME-UHFFFAOYSA-N 0 3 405.542 3.725 50 0 HHAAHN O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000012811366 569403791 /nfs/dbraw/zinc/40/37/91/569403791.db2.gz XFXVSRIMEZAMTE-UXZSZYKQSA-N 0 3 403.526 3.780 50 0 HHAAHN CCc1[nH]c(C(=O)N(C)C[C@@H]2CCN(Cc3ccc(C)s3)C2)c(C)c1C(=O)OC ZINC000328591653 569415059 /nfs/dbraw/zinc/41/50/59/569415059.db2.gz GNOUXKGRBFBCQD-INIZCTEOSA-N 0 3 417.575 3.636 50 0 HHAAHN Cc1c(C(=O)NCCN(C)C)oc2c1-c1nn(Cc3ccccc3Cl)cc1CC2 ZINC000008588580 571084558 /nfs/dbraw/zinc/08/45/58/571084558.db2.gz WKZLOCHEGJRJRP-UHFFFAOYSA-N 0 3 412.921 3.543 50 0 HHAAHN Cc1ccccc1CN1CCCN(Cc2nc(COc3ccc(F)cc3)no2)CC1 ZINC000040088706 571158909 /nfs/dbraw/zinc/15/89/09/571158909.db2.gz RLJLKHFHYBZLCN-UHFFFAOYSA-N 0 3 410.493 3.804 50 0 HHAAHN C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccc(Br)cc1 ZINC000069352134 571222885 /nfs/dbraw/zinc/22/28/85/571222885.db2.gz MXIACQKIYDHCLK-CRAIPNDOSA-N 0 3 402.336 3.934 50 0 HHAAHN COC(=O)c1cccc(OC[C@H](O)CN(C)C(c2ccccc2)c2ccccc2)c1 ZINC000009513312 571264484 /nfs/dbraw/zinc/26/44/84/571264484.db2.gz UFNSBUCSEMSOOD-JOCHJYFZSA-N 0 3 405.494 3.934 50 0 HHAAHN Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)N2CCCC2)cc1 ZINC000010333884 571300599 /nfs/dbraw/zinc/30/05/99/571300599.db2.gz SCCCVKOCEXDJGT-DEOSSOPVSA-N 0 3 415.537 3.718 50 0 HHAAHN COc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccc2ccccc21)N1CCCC1 ZINC000010334196 571300865 /nfs/dbraw/zinc/30/08/65/571300865.db2.gz FOYIGQDNKVGXQK-QFIPXVFZSA-N 0 3 417.509 3.740 50 0 HHAAHN CSc1ccc(CN2CCC([C@@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)cc1 ZINC000012244352 962257702 /nfs/dbraw/zinc/25/77/02/962257702.db2.gz LAPNXSBFDOUNRS-XMMPIXPASA-N 0 3 423.582 3.832 50 0 HHAAHN O=C(c1ccc(-c2ccccc2F)cc1)N1CCC(=O)N(CCN2CCCCC2)CC1 ZINC000012279742 962266719 /nfs/dbraw/zinc/26/67/19/962266719.db2.gz ZHIUJSBWMCEQST-UHFFFAOYSA-N 0 3 423.532 3.653 50 0 HHAAHN COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(Cc4cnn(C)c4)C3)cc2)c1 ZINC000012432422 962278777 /nfs/dbraw/zinc/27/87/77/962278777.db2.gz URCXIXFRWQEYRK-OAQYLSRUSA-N 0 3 404.514 3.946 50 0 HHAAHN COc1ccccc1N1CCN([C@@H]2CCCN(Cc3cc4ccccc4[nH]3)C2)CC1 ZINC000019794471 963374759 /nfs/dbraw/zinc/37/47/59/963374759.db2.gz PCMMFBHSYMOATD-JOCHJYFZSA-N 0 3 404.558 3.963 50 0 HHAAHN CC(C)NC(=O)[C@@H]1C[C@@H](NCc2cc(F)ccc2F)CN1Cc1cccc(Cl)c1 ZINC000020451610 963389536 /nfs/dbraw/zinc/38/95/36/963389536.db2.gz XLIYSNUWNKLAHT-CTNGQTDRSA-N 0 3 421.919 3.876 50 0 HHAAHN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ccncc3)C2=O)cc1 ZINC000006822793 132318079 /nfs/dbraw/zinc/31/80/79/132318079.db2.gz VUJRNZDUBCKTEC-QNGOZBTKSA-N 0 3 413.433 3.898 50 0 HHAAHN O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(c2ccncc2)CC1 ZINC000008097935 132327490 /nfs/dbraw/zinc/32/74/90/132327490.db2.gz YHTQZKZGVDNLRM-UHFFFAOYSA-N 0 3 409.493 3.897 50 0 HHAAHN CCN(C[C@H]1COc2ccccc2O1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000032779365 521273295 /nfs/dbraw/zinc/27/32/95/521273295.db2.gz FCHDMZWQBGCHSY-NRFANRHFSA-N 0 3 409.530 3.523 50 0 HHAAHN CN(C[C@H](O)COC(c1ccccc1)c1ccccc1)C[C@@H]1COc2ccccc2O1 ZINC000032686449 523098320 /nfs/dbraw/zinc/09/83/20/523098320.db2.gz HCPYGECYHALWDB-XZOQPEGZSA-N 0 3 419.521 3.925 50 0 HHAAHN O=C1[C@H]2[C@@H]3CCCN3[C@H](c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000043732501 527118294 /nfs/dbraw/zinc/11/82/94/527118294.db2.gz XRJIPHKFTHOBFC-CADBVGFASA-N 0 3 411.299 3.774 50 0 HHAAHN O=C(C1CCN(Cc2ccc(F)cc2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000004679800 557580392 /nfs/dbraw/zinc/58/03/92/557580392.db2.gz KHQBLGXKDHEXLY-QPJJXVBHSA-N 0 3 421.560 3.895 50 0 HHAAHN CCOc1cc(CN2CCC(C(=O)NCc3ccccc3Cl)CC2)ccc1O ZINC000006595538 557709561 /nfs/dbraw/zinc/70/95/61/557709561.db2.gz PDAZFXFBRWBLOP-UHFFFAOYSA-N 0 3 402.922 3.973 50 0 HHAAHN Cn1nnnc1SCCCNCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000008654589 557798867 /nfs/dbraw/zinc/79/88/67/557798867.db2.gz PCFAAKWHZFXLIF-UHFFFAOYSA-N 0 3 421.929 3.854 50 0 HHAAHN Cc1cc(F)ccc1NC(=O)CC[C@H]1CCCN(C(=O)CN2CCCCCC2)C1 ZINC000011933115 558297940 /nfs/dbraw/zinc/29/79/40/558297940.db2.gz QXJOMRDUOSLBQX-LJQANCHMSA-N 0 3 403.542 3.967 50 0 HHAAHN CSc1ccccc1C(=O)NC[C@@H]1CCC2(CCN(Cc3ccccn3)CC2)O1 ZINC000011967531 558304547 /nfs/dbraw/zinc/30/45/47/558304547.db2.gz JWSBWKAMJHMGIE-IBGZPJMESA-N 0 3 411.571 3.747 50 0 HHAAHN CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1CNCC1CCCCC1 ZINC000011979860 558306029 /nfs/dbraw/zinc/30/60/29/558306029.db2.gz DGDWCXTXGHIULQ-UHFFFAOYSA-N 0 3 422.529 3.571 50 0 HHAAHN COc1ccc(CN2CCC3(C[C@H]3C(=O)NCCc3ccccc3)CC2)c(OC)c1C ZINC000012055921 558315952 /nfs/dbraw/zinc/31/59/52/558315952.db2.gz NDDVSGZNOFDRNH-QFIPXVFZSA-N 0 3 422.569 3.973 50 0 HHAAHN O=C1CC[C@H](CCNCc2ccccc2F)N1C[C@@H](c1cccnc1)N1CCCCC1 ZINC000012056834 558316175 /nfs/dbraw/zinc/31/61/75/558316175.db2.gz CDJVABFBWVRXFK-VWNXMTODSA-N 0 3 424.564 3.919 50 0 HHAAHN Cc1ccccc1NC(=O)CC1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21 ZINC000020103532 558332779 /nfs/dbraw/zinc/33/27/79/558332779.db2.gz SRJAAHRUGMUFGU-OAQYLSRUSA-N 0 3 411.465 3.856 50 0 HHAAHN CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1ccc2nccnc2c1 ZINC000012192668 558348073 /nfs/dbraw/zinc/34/80/73/558348073.db2.gz HSVDMBYPYUTLGV-GOSISDBHSA-N 0 3 406.505 3.796 50 0 HHAAHN COc1cccc(C[C@]2(CO)CCCN(Cc3cc(F)ccc3-n3cccn3)C2)c1 ZINC000012201340 558351448 /nfs/dbraw/zinc/35/14/48/558351448.db2.gz PZOHQFFSBCHYAH-XMMPIXPASA-N 0 3 409.505 3.837 50 0 HHAAHN OC[C@@H]1CCCN(Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000012314589 558378078 /nfs/dbraw/zinc/37/80/78/558378078.db2.gz CXJHBAATRGEOQL-LJQANCHMSA-N 0 3 405.498 3.531 50 0 HHAAHN CCN1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2cc(C)ccc2C)C1=O ZINC000020533158 558384407 /nfs/dbraw/zinc/38/44/07/558384407.db2.gz KOJJHCFJIIRFQB-QZMYASAMSA-N 0 3 403.526 3.905 50 0 HHAAHN CCCCc1ncc(CN2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)[nH]1 ZINC000012433591 558407550 /nfs/dbraw/zinc/40/75/50/558407550.db2.gz YORKPGLYFOPNHN-UHFFFAOYSA-N 0 3 406.534 3.789 50 0 HHAAHN COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(Cc3cnn(C)c3)C2)cc1 ZINC000012465507 558420154 /nfs/dbraw/zinc/42/01/54/558420154.db2.gz SHXZBFQZOYUPKN-HXUWFJFHSA-N 0 3 404.514 3.946 50 0 HHAAHN CSc1ncc(C(=O)NC2CCN(Cc3ccccc3)CC2)n1-c1ccccc1 ZINC000021782512 558448172 /nfs/dbraw/zinc/44/81/72/558448172.db2.gz IHGYCZDDPSPJSM-UHFFFAOYSA-N 0 3 406.555 3.989 50 0 HHAAHN CC(=O)c1ccc(OCC(=O)N(CCc2ccccc2)C[C@H]2CCCN(C)C2)cc1 ZINC000012711026 558452427 /nfs/dbraw/zinc/45/24/27/558452427.db2.gz PWYHYTIAALABGN-QFIPXVFZSA-N 0 3 408.542 3.681 50 0 HHAAHN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000012975449 558491028 /nfs/dbraw/zinc/49/10/28/558491028.db2.gz YKCILLURJAUZGZ-LEWJYISDSA-N 0 3 409.555 3.965 50 0 HHAAHN OCC[C@H]1CN(Cc2c[nH]nc2-c2ccccc2)CCN1CCCc1ccccc1 ZINC000023375271 558554809 /nfs/dbraw/zinc/55/48/09/558554809.db2.gz GWBFSEDNPRJLFB-DEOSSOPVSA-N 0 3 404.558 3.578 50 0 HHAAHN Cc1cc(C(=O)N[C@@H](C)CN2CCCCC2)c2c(n1)onc2-c1ccc2c(c1)OCO2 ZINC000013641523 558555706 /nfs/dbraw/zinc/55/57/06/558555706.db2.gz HPJLOOVCFHZZNR-HNNXBMFYSA-N 0 3 422.485 3.531 50 0 HHAAHN Cc1ccc(C)c(NC(=O)CC2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)c1 ZINC000023382242 558555780 /nfs/dbraw/zinc/55/57/80/558555780.db2.gz XZAKCVDHSDAXNK-UWJYYQICSA-N 0 3 418.497 3.749 50 0 HHAAHN COCCCN1C(=O)C(CC(=O)Nc2ccc(C)cc2C)n2c3ccccc3nc21 ZINC000023411232 558557370 /nfs/dbraw/zinc/55/73/70/558557370.db2.gz LFZOAEXGVORDFU-HXUWFJFHSA-N 0 3 406.486 3.606 50 0 HHAAHN CC1CCN([C@H](CNC(=O)c2ccc3c(c2)NC(=O)CS3)c2cccs2)CC1 ZINC000014197326 558634010 /nfs/dbraw/zinc/63/40/10/558634010.db2.gz VDPNZWGABQSCJO-QGZVFWFLSA-N 0 3 415.584 3.995 50 0 HHAAHN CCN1C(=O)N(C)C(=O)C12CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000014542644 558660521 /nfs/dbraw/zinc/66/05/21/558660521.db2.gz HHAHBXFVNFLYOZ-UHFFFAOYSA-N 0 3 406.530 3.703 50 0 HHAAHN CCOC(=O)C1(Cc2ccccc2Cl)CCN(C2CCN(C(C)=O)CC2)CC1 ZINC000014963237 558684748 /nfs/dbraw/zinc/68/47/48/558684748.db2.gz GGETVWUFEBKDPE-UHFFFAOYSA-N 0 3 406.954 3.539 50 0 HHAAHN COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCC[C@H](C(N)=O)C2)cc1F ZINC000014964131 558685261 /nfs/dbraw/zinc/68/52/61/558685261.db2.gz ZOVDFIXHXVANIA-SFHVURJKSA-N 0 3 422.504 3.693 50 0 HHAAHN Cn1c(SCCN2CCCCC2)nnc1C1CCN(C/C=C/c2ccco2)CC1 ZINC000014986641 558692964 /nfs/dbraw/zinc/69/29/64/558692964.db2.gz SQWYLBCIYRUILU-FNORWQNLSA-N 0 3 415.607 3.879 50 0 HHAAHN O=C(CC1C(=O)N(Cc2ccco2)c2nc3ccccc3n21)Nc1ccc(F)cc1 ZINC000030937526 558744994 /nfs/dbraw/zinc/74/49/94/558744994.db2.gz MPDQKLDKOCYHHY-IBGZPJMESA-N 0 3 404.401 3.885 50 0 HHAAHN CN(CC(=O)Nc1cccc(C(F)(F)F)c1)C1CCN(CCc2ccccn2)CC1 ZINC000072308299 558770249 /nfs/dbraw/zinc/77/02/49/558770249.db2.gz GZGSFLXINPQBFH-UHFFFAOYSA-N 0 3 420.479 3.678 50 0 HHAAHN CN(C)CCNC(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N ZINC000004757848 558780779 /nfs/dbraw/zinc/78/07/79/558780779.db2.gz RLPKUKUTIUFMHT-UHFFFAOYSA-N 0 3 408.449 3.856 50 0 HHAAHN Cc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)c2c1 ZINC000017989118 558829327 /nfs/dbraw/zinc/82/93/27/558829327.db2.gz OOMNOFGNBXCQKS-GOSISDBHSA-N 0 3 415.415 3.959 50 0 HHAAHN CCOc1cc(Cl)c(S(=O)(=O)[N-]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1Cl ZINC000018004997 558829505 /nfs/dbraw/zinc/82/95/05/558829505.db2.gz DIPADQNGNKBCJE-UHFFFAOYSA-N 0 3 409.379 3.980 50 0 HHAAHN CCN(C(=O)Nc1ccc(N2CCOCC2)nc1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000072314419 558845926 /nfs/dbraw/zinc/84/59/26/558845926.db2.gz XSLRBRZZVPLYQG-SIKLNZKXSA-N 0 3 423.561 3.608 50 0 HHAAHN CCN(C(=O)Nc1ccc(N2CCOCC2)nc1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000072314420 558846164 /nfs/dbraw/zinc/84/61/64/558846164.db2.gz XSLRBRZZVPLYQG-UGKGYDQZSA-N 0 3 423.561 3.608 50 0 HHAAHN CCN1CCC[C@H]1CNc1ccc(C(=O)N(C)Cc2ccc3ccccc3n2)cn1 ZINC000019228976 558853145 /nfs/dbraw/zinc/85/31/45/558853145.db2.gz HPCGLZDVDKIVEF-NRFANRHFSA-N 0 3 403.530 3.798 50 0 HHAAHN CCCN1CCN(c2ncnc3sc(C(=O)NCc4ccc(C)cc4)c(C)c32)CC1 ZINC000033048411 558885763 /nfs/dbraw/zinc/88/57/63/558885763.db2.gz OLTNTRHKTCLLAF-UHFFFAOYSA-N 0 3 423.586 3.770 50 0 HHAAHN CN1CCCN(c2ccc(CNC(=O)c3ccc(Oc4ccccc4)cc3)cn2)CC1 ZINC000058114327 558899678 /nfs/dbraw/zinc/89/96/78/558899678.db2.gz XMNOAQPQRDGITF-UHFFFAOYSA-N 0 3 416.525 3.946 50 0 HHAAHN CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000058328444 558920013 /nfs/dbraw/zinc/92/00/13/558920013.db2.gz DQYGSPIRJKYRBD-IBGZPJMESA-N 0 3 412.509 3.577 50 0 HHAAHN O=C(NC[C@H]1CCN(c2ccccc2)C1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000058406735 558924739 /nfs/dbraw/zinc/92/47/39/558924739.db2.gz QBRFUQOQKDMYFZ-VQTJNVASSA-N 0 3 412.603 3.786 50 0 HHAAHN Fc1ccccc1N1CCN([C@H]2CCCN(Cc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000019595659 558946036 /nfs/dbraw/zinc/94/60/36/558946036.db2.gz SCFVVOFWRWKQKG-QHCPKHFHSA-N 0 3 419.548 3.798 50 0 HHAAHN CC(C)(C)OC(=O)NC1CCN(CCc2nc(-c3ccc4cc[nH]c4c3)no2)CC1 ZINC000072403122 558958564 /nfs/dbraw/zinc/95/85/64/558958564.db2.gz IXUCIHQRSJHCKI-UHFFFAOYSA-N 0 3 411.506 3.750 50 0 HHAAHN CCN(Cc1ccccc1)Cc1ccc(C(=O)NCc2ccccc2Cl)c(=O)[nH]1 ZINC000064045036 558961844 /nfs/dbraw/zinc/96/18/44/558961844.db2.gz DXEFTCXOTPKCSJ-UHFFFAOYSA-N 0 3 409.917 3.980 50 0 HHAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1 ZINC000067621742 558989637 /nfs/dbraw/zinc/98/96/37/558989637.db2.gz WZESLLQVAMQTFN-UHFFFAOYSA-N 0 3 417.916 3.530 50 0 HHAAHN CCN(CC)CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccccc1OC ZINC000011614771 559114565 /nfs/dbraw/zinc/11/45/65/559114565.db2.gz GRCDMNNSKRFJCY-QFIPXVFZSA-N 0 3 420.509 3.997 50 0 HHAAHN COc1cc(-c2nc(CN3CCC(N4C[C@@H](C)O[C@@H](C)C4)CC3)c(C)o2)ccc1F ZINC000097642836 559119537 /nfs/dbraw/zinc/11/95/37/559119537.db2.gz ALDMBOJURUXUNH-IYBDPMFKSA-N 0 3 417.525 3.871 50 0 HHAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000101268072 559144360 /nfs/dbraw/zinc/14/43/60/559144360.db2.gz BBDZXTPMYXECLD-SLFFLAALSA-N 0 3 406.463 3.808 50 0 HHAAHN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000014241708 559161729 /nfs/dbraw/zinc/16/17/29/559161729.db2.gz ZXNQFTRSEQLXRU-UHFFFAOYSA-N 0 3 422.529 3.519 50 0 HHAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000023738182 559179557 /nfs/dbraw/zinc/17/95/57/559179557.db2.gz RLPOISLZBJSKRE-WIYYLYMNSA-N 0 3 411.933 3.646 50 0 HHAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CNC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000023866326 559181390 /nfs/dbraw/zinc/18/13/90/559181390.db2.gz APWQTIOMIMSNBC-QHCPKHFHSA-N 0 3 408.521 3.619 50 0 HHAAHN CCn1c(C)cc(O)c([C@@H](c2ccc(OC)c(OC)c2)N2CCC(C)CC2)c1=O ZINC000024022987 559187791 /nfs/dbraw/zinc/18/77/91/559187791.db2.gz CRMNTAUJXOZCFX-JOCHJYFZSA-N 0 3 400.519 3.721 50 0 HHAAHN CN(Cc1nccs1)Cc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000011840627 559261469 /nfs/dbraw/zinc/26/14/69/559261469.db2.gz BXUJOENJXXTWIB-JOCHJYFZSA-N 0 3 423.582 3.573 50 0 HHAAHN CCN(CC)CCn1cnc2c(c1=N)[C@H](c1ccccc1OC)c1ccc(O)cc1O2 ZINC000005349035 560571240 /nfs/dbraw/zinc/57/12/40/560571240.db2.gz MSSXPLMAXBJPOT-OAQYLSRUSA-N 0 3 420.513 3.704 50 0 HHAAHN COc1ccc(N2OC3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000102691077 560819936 /nfs/dbraw/zinc/81/99/36/560819936.db2.gz DMTLHMBJHHIBLA-FSSWDIPSSA-N 0 3 418.424 3.885 50 0 HHAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102713350 560823165 /nfs/dbraw/zinc/82/31/65/560823165.db2.gz PLEAKFUEZZZNQO-PCCBWWKXSA-N 0 3 404.397 3.582 50 0 HHAAHN COc1ccc(-c2nn(-c3ccccc3)c3c(O)n(-c4ccccc4F)c(O)c23)cc1 ZINC000103530378 560842596 /nfs/dbraw/zinc/84/25/96/560842596.db2.gz DRKRIHLARXGZMC-IFMALSPDSA-N 0 3 415.424 3.617 50 0 HHAAHN CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccnc2)cc1 ZINC000103561203 560843217 /nfs/dbraw/zinc/84/32/17/560843217.db2.gz PQIFHYRZSUYMNW-BHIFYINESA-N 0 3 415.449 3.531 50 0 HHAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccnc4)[C@H]3C2=O)cc1 ZINC000103561203 560843219 /nfs/dbraw/zinc/84/32/19/560843219.db2.gz PQIFHYRZSUYMNW-BHIFYINESA-N 0 3 415.449 3.531 50 0 HHAAHN CN(C)C[C@H](CNC(=O)Nc1nnc(C2CCCCC2)s1)[C@H](O)c1ccccc1 ZINC000048275194 568435439 /nfs/dbraw/zinc/43/54/39/568435439.db2.gz KYEHYGQAEPWBEK-ZWKOTPCHSA-N 0 3 417.579 3.619 50 0 HHAAHN CC(C)[C@@H](NCC(=O)NCCc1ccc(F)cc1)c1ccc2c(c1)OCCCO2 ZINC000049605833 568452605 /nfs/dbraw/zinc/45/26/05/568452605.db2.gz VKQCHELVOVIMRE-HSZRJFAPSA-N 0 3 400.494 3.633 50 0 HHAAHN O=C(NC[C@@H]1CCCO1)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000000778769 568473846 /nfs/dbraw/zinc/47/38/46/568473846.db2.gz FGULNZFEEJIVCD-DEOSSOPVSA-N 0 3 408.542 3.773 50 0 HHAAHN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)NC[C@H](c1cccs1)N1CCOCC1 ZINC000095399571 568604818 /nfs/dbraw/zinc/60/48/18/568604818.db2.gz LQDHRARTHKTZLT-CRAIPNDOSA-N 0 3 407.967 3.700 50 0 HHAAHN O=C(CCCn1c(=O)c2cccn2c2ccccc21)N1CCN(C2CCCCC2)CC1 ZINC000020489626 568614211 /nfs/dbraw/zinc/61/42/11/568614211.db2.gz DKUGLIYAAWVPSM-UHFFFAOYSA-N 0 3 420.557 3.511 50 0 HHAAHN CN1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000020927372 568651561 /nfs/dbraw/zinc/65/15/61/568651561.db2.gz VVMJBTMDJXADJP-UHFFFAOYSA-N 0 3 424.526 3.620 50 0 HHAAHN CC(=O)N1CC[C@H](NCc2cccc(Cn3ccnc3C)c2)c2ccc(F)cc2C1 ZINC000225614882 568657203 /nfs/dbraw/zinc/65/72/03/568657203.db2.gz VUYBGEVWIIOPSX-DEOSSOPVSA-N 0 3 406.505 3.962 50 0 HHAAHN CC(C)N1CCN(c2ccc(C(=O)Nc3cncc(Br)c3)cc2)CC1 ZINC000095975557 568672476 /nfs/dbraw/zinc/67/24/76/568672476.db2.gz FXHOCEQJMCTVRF-UHFFFAOYSA-N 0 3 403.324 3.627 50 0 HHAAHN C[C@H](c1ccccc1)N(Cc1nc(C(=O)NCCN(C)C)co1)Cc1ccccc1F ZINC000096280148 568717821 /nfs/dbraw/zinc/71/78/21/568717821.db2.gz XKWRSRCZQRCMAR-GOSISDBHSA-N 0 3 424.520 3.869 50 0 HHAAHN CC1CCN(C[C@@H](O)COc2ccc(Br)cc2Br)CC1 ZINC000012420319 568720477 /nfs/dbraw/zinc/72/04/77/568720477.db2.gz AFHXIRKJGRAZMB-CYBMUJFWSA-N 0 3 407.146 3.683 50 0 HHAAHN O=C(CC[C@H]1CCCN(Cc2ccc3cc(Cl)ccc3n2)C1)N1CCOCC1 ZINC000015071843 568749166 /nfs/dbraw/zinc/74/91/66/568749166.db2.gz MCSDFMWVNHNTDL-QGZVFWFLSA-N 0 3 401.938 3.739 50 0 HHAAHN Cc1ccc(Nc2nc(NCCN3CCc4ccccc4C3)nc3c2cnn3C)cc1 ZINC000021928940 568761540 /nfs/dbraw/zinc/76/15/40/568761540.db2.gz LKWXUQMTNPHJOV-UHFFFAOYSA-N 0 3 413.529 3.886 50 0 HHAAHN CCN1CCN(c2ccc(N[C@@H](C)C(=O)NCc3ccccc3Cl)c(C)c2)CC1 ZINC000056170310 568790648 /nfs/dbraw/zinc/79/06/48/568790648.db2.gz YZIHIBRWGAWBPE-SFHVURJKSA-N 0 3 414.981 3.907 50 0 HHAAHN Cn1nnnc1SCCNCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000261492487 568820443 /nfs/dbraw/zinc/82/04/43/568820443.db2.gz CVDGYXGJVSCRTE-UHFFFAOYSA-N 0 3 412.950 3.748 50 0 HHAAHN CC(C)CC(=O)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057254392 568825196 /nfs/dbraw/zinc/82/51/96/568825196.db2.gz QZZBSCKRIKUAMO-UHFFFAOYSA-N 0 3 410.587 3.868 50 0 HHAAHN O=C(NC[C@@H]1CCN(c2ccccc2)C1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000063464028 568835127 /nfs/dbraw/zinc/83/51/27/568835127.db2.gz FJNSNQCJKHTLOS-PKTZIBPZSA-N 0 3 406.574 3.724 50 0 HHAAHN C[C@@H]1CCCCN1C[C@H](O)COc1ccc(Br)cc1Br ZINC000035052992 568872331 /nfs/dbraw/zinc/87/23/31/568872331.db2.gz MHLQXVOWVVZPPS-YPMHNXCESA-N 0 3 407.146 3.826 50 0 HHAAHN O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC12CCN(Cc1ccc3c(c1)CCO3)CC2 ZINC000299794055 568876086 /nfs/dbraw/zinc/87/60/86/568876086.db2.gz IZLYMFGBCICAKV-LJQANCHMSA-N 0 3 406.482 3.591 50 0 HHAAHN CN(C)CCN(CC1CCCCC1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000058162152 568894860 /nfs/dbraw/zinc/89/48/60/568894860.db2.gz YXVZOZHJLQHLRE-UHFFFAOYSA-N 0 3 411.554 3.651 50 0 HHAAHN CC1CCN([C@H](CNC(=O)NCc2ccc3c(c2)OCO3)c2cccs2)CC1 ZINC000030988834 568907684 /nfs/dbraw/zinc/90/76/84/568907684.db2.gz CIGJNKOPOOJNBJ-QGZVFWFLSA-N 0 3 401.532 3.749 50 0 HHAAHN CC1(C)Cc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C(N)=O)C(C)(C)N1 ZINC000004275269 568962323 /nfs/dbraw/zinc/96/23/23/568962323.db2.gz CORMICXADDNQIX-UHFFFAOYSA-N 0 3 421.950 3.677 50 0 HHAAHN CC(C)C(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000035107858 568991934 /nfs/dbraw/zinc/99/19/34/568991934.db2.gz RTSCTICDMHXMOB-GHTZIAJQSA-N 0 3 409.578 3.711 50 0 biogenic HHAAHN CCN(CC)[C@@H](CNC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)c1ccccc1 ZINC000012909307 569021720 /nfs/dbraw/zinc/02/17/20/569021720.db2.gz DLLVEQIGWMAEJW-QFIPXVFZSA-N 0 3 418.541 3.871 50 0 HHAAHN Cn1cc(CN2CCC(C(=O)NCCN3CCCCC3)CC2)c2cc(Cl)ccc21 ZINC000035457848 569037787 /nfs/dbraw/zinc/03/77/87/569037787.db2.gz RIDKSBMUFHTFBH-UHFFFAOYSA-N 0 3 416.997 3.646 50 0 HHAAHN COc1cccc(Cn2ncc3ccc(C(=O)NCCN4CCC[C@H](C)C4)cc32)c1 ZINC000035560007 569044882 /nfs/dbraw/zinc/04/48/82/569044882.db2.gz HAMFKZCDTWWXPW-SFHVURJKSA-N 0 3 406.530 3.555 50 0 HHAAHN COc1ccc(OC[C@H](O)CN(Cc2cccc(OC)c2OC)CC(C)C)cc1 ZINC000036097070 569090318 /nfs/dbraw/zinc/09/03/18/569090318.db2.gz NXYZIHCRPLGDTN-LJQANCHMSA-N 0 3 403.519 3.610 50 0 HHAAHN Cc1ccc(C)c(Cn2ccnc2CN(CCN(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000006696642 569092035 /nfs/dbraw/zinc/09/20/35/569092035.db2.gz LBOTUPSJUSFFHG-UHFFFAOYSA-N 0 3 408.521 3.891 50 0 HHAAHN COc1cccc(CN2CC=C(C(=O)NC3CCN(Cc4ccccc4)CC3)CC2)c1 ZINC000064817987 569101264 /nfs/dbraw/zinc/10/12/64/569101264.db2.gz YIKNRDAAAMCPRK-UHFFFAOYSA-N 0 3 419.569 3.608 50 0 HHAAHN CC(C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@@H]12 ZINC000169681567 569127601 /nfs/dbraw/zinc/12/76/01/569127601.db2.gz GJMMNJHLDBUAMN-QUCCMNQESA-N 0 3 409.496 3.836 50 0 HHAAHN CCCn1c(-c2cccc(C(=O)NCCN3CCC(C)CC3)c2)nc2cccnc21 ZINC000065172872 569189991 /nfs/dbraw/zinc/18/99/91/569189991.db2.gz KHJNCBMEOIHEBP-UHFFFAOYSA-N 0 3 405.546 3.970 50 0 HHAAHN C[C@@H]1CCCN(c2ccc(-c3noc(CN4CCN(C5CCCCC5)CC4)n3)cn2)C1 ZINC000065216086 569197702 /nfs/dbraw/zinc/19/77/02/569197702.db2.gz KLUOQRNCPNXXSZ-LJQANCHMSA-N 0 3 424.593 3.818 50 0 HHAAHN CCOc1ccc(NC(=O)c2cccnc2N2CCN[C@@H](c3ccccc3)C2)cc1 ZINC000065255807 569208020 /nfs/dbraw/zinc/20/80/20/569208020.db2.gz FIIWDHKRUTYRNA-JOCHJYFZSA-N 0 3 402.498 3.884 50 0 HHAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000065604704 569237191 /nfs/dbraw/zinc/23/71/91/569237191.db2.gz GENMROSVISJXQZ-CVDCTZTESA-N 0 3 410.537 3.788 50 0 HHAAHN COC(=O)c1sccc1NC(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000013319998 569254845 /nfs/dbraw/zinc/25/48/45/569254845.db2.gz CCPRLAUNBYLWPU-UHFFFAOYSA-N 0 3 403.548 3.653 50 0 HHAAHN Cc1ccc(CN2CCC(N3CCN(c4ncccc4C(F)(F)F)CC3)CC2)o1 ZINC000252484293 569289217 /nfs/dbraw/zinc/28/92/17/569289217.db2.gz FTVQSNASSWNHKM-UHFFFAOYSA-N 0 3 408.468 3.788 50 0 HHAAHN N[C@@H](CNC(=O)CCCCc1ccc(I)cc1)c1ccccc1 ZINC000170676908 569297930 /nfs/dbraw/zinc/29/79/30/569297930.db2.gz QMDHWGAPJDNHPF-SFHVURJKSA-N 0 3 422.310 3.820 50 0 HHAAHN O=C(C1[C@@H](c2ccc(Cl)cc2)NC(=S)N[C@@]1(O)c1cccs1)C(F)(F)F ZINC000195529017 569311989 /nfs/dbraw/zinc/31/19/89/569311989.db2.gz URVYXSNHCSJDJP-YWPYICTPSA-N 0 3 420.865 3.513 50 0 HHAAHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000252674596 569319521 /nfs/dbraw/zinc/31/95/21/569319521.db2.gz SIXCHSTYCOPRDB-PGRDOPGGSA-N 0 3 421.545 3.591 50 0 HHAAHN CC(C)CN1CCN([C@@H]2CCOC3(CCN(C(=O)Nc4ccccc4)CC3)C2)CC1 ZINC000581819762 569320716 /nfs/dbraw/zinc/32/07/16/569320716.db2.gz JPIFHPREBNXGFK-JOCHJYFZSA-N 0 3 414.594 3.506 50 0 HHAAHN CC(C)N1CCN([C@@H]2CCOC3(CCN(C(=O)CC4CCCCC4)CC3)C2)CC1 ZINC000581819680 569320736 /nfs/dbraw/zinc/32/07/36/569320736.db2.gz BHNJLBKCAWMABK-JOCHJYFZSA-N 0 3 405.627 3.523 50 0 HHAAHN CCN(CC)[C@@H](CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000040012818 571138349 /nfs/dbraw/zinc/13/83/49/571138349.db2.gz VPKBGAGPZUKNNV-FQEVSTJZSA-N 0 3 403.567 3.833 50 0 HHAAHN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN(C1CC1)C1CCC(C)CC1 ZINC000069595236 571232523 /nfs/dbraw/zinc/23/25/23/571232523.db2.gz IQIVOQLLAPQZAB-UHFFFAOYSA-N 0 3 418.607 3.850 50 0 HHAAHN Cc1c(C(=O)NC2CCCC2)nnn1-c1cccc2c1CCN(Cc1ccccc1)C2 ZINC000069848267 571247054 /nfs/dbraw/zinc/24/70/54/571247054.db2.gz BSEAJEQQHIZETE-UHFFFAOYSA-N 0 3 415.541 3.806 50 0 HHAAHN O=C(NC[C@H](c1cccc2ccccc21)N1CCCC1)C(=O)Nc1ccccc1F ZINC000010334028 571300625 /nfs/dbraw/zinc/30/06/25/571300625.db2.gz BQUZRIZJCNBTIQ-JOCHJYFZSA-N 0 3 405.473 3.871 50 0 HHAAHN Cc1ccc2nc(N3CC(C(=O)NC4CCN(Cc5ccccc5)CC4)C3)sc2c1 ZINC000077101411 571311554 /nfs/dbraw/zinc/31/15/54/571311554.db2.gz HPNCAXJVGKWWIO-UHFFFAOYSA-N 0 3 420.582 3.822 50 0 HHAAHN O=C(NC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@H]12 ZINC000035871502 571317125 /nfs/dbraw/zinc/31/71/25/571317125.db2.gz HYJDCEDDPYFPOB-AZUAARDMSA-N 0 3 407.480 3.590 50 0 HHAAHN C[C@]1(C2CCN(Cc3cc4ccccc4[nH]3)CC2)NC(=O)N(Cc2ccsc2)C1=O ZINC000011871111 962203234 /nfs/dbraw/zinc/20/32/34/962203234.db2.gz AOFFHQCPIBKFEK-HSZRJFAPSA-N 0 3 422.554 3.952 50 0 HHAAHN C[C@@H](c1nccs1)N1C(=O)c2cccc(N3CCN(C4CCCC4)CC3)c2C1=O ZINC000012152145 962245887 /nfs/dbraw/zinc/24/58/87/962245887.db2.gz FBVWBPWHHWZMMQ-HNNXBMFYSA-N 0 3 410.543 3.565 50 0 HHAAHN CCc1ccc(CN2CCC([C@@]3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)o1 ZINC000012158355 962247010 /nfs/dbraw/zinc/24/70/10/962247010.db2.gz CNYIXIZYMBMPLT-RUZDIDTESA-N 0 3 421.541 3.532 50 0 HHAAHN CCc1ccc([C@H](CNC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)N(C)C)cc1 ZINC000012975332 962357837 /nfs/dbraw/zinc/35/78/37/962357837.db2.gz YWEMAOONTUSLNX-LJJIPZOBSA-N 0 3 405.542 3.808 50 0 HHAAHN CCc1ccc(CN2CCC3(CC2)C(=O)N(C2Cc4ccccc4C2)C(=O)N3CC)o1 ZINC000014531927 962525147 /nfs/dbraw/zinc/52/51/47/962525147.db2.gz OQEFQDKZXBJQPZ-UHFFFAOYSA-N 0 3 421.541 3.628 50 0 HHAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)CCn2cccn2)CC1 ZINC000014970906 962615361 /nfs/dbraw/zinc/61/53/61/962615361.db2.gz PNCYLXRDJAVJKY-UHFFFAOYSA-N 0 3 412.578 3.679 50 0 HHAAHN Cc1cc(CN[C@@H]2CCc3c(sc4ncn(CC5CCCCC5)c(=O)c34)C2)on1 ZINC000019742401 963373910 /nfs/dbraw/zinc/37/39/10/963373910.db2.gz DTUJLPRLHUCRPQ-MRXNPFEDSA-N 0 3 412.559 3.982 50 0 HHAAHN CN(CCn1ccnc1)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000055090669 965751643 /nfs/dbraw/zinc/75/16/43/965751643.db2.gz FEJXYPRAEFVQFP-UHFFFAOYSA-N 0 3 401.470 3.597 50 0 HHAAHN O=C(/C=C\c1ccc(N2CCCC2=O)cc1)NC[C@H](c1cccs1)N1CCCC1 ZINC000096940638 969058565 /nfs/dbraw/zinc/05/85/65/969058565.db2.gz QMESPOBNCNYCAP-FNUUXAGOSA-N 0 3 409.555 3.841 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)/C=C\c3ccc(NC(C)=O)cc3)c(C)c2)CC1 ZINC000096973371 969069779 /nfs/dbraw/zinc/06/97/79/969069779.db2.gz CVKKKZRVMDHOCS-GHXNOFRVSA-N 0 3 406.530 3.747 50 0 HHAAHN O=C(NCCCN1CCc2ccccc2C1)[C@H]1CCCCC(=O)N1Cc1ccccc1 ZINC000169780852 970480758 /nfs/dbraw/zinc/48/07/58/970480758.db2.gz CWZSDTMTBDGRCL-XMMPIXPASA-N 0 3 419.569 3.522 50 0 HHAAHN CCNC(=O)[C@@H]1C[C@@H](NCc2cc(F)ccc2F)CN1Cc1cccc2ccccc21 ZINC000299787143 970723444 /nfs/dbraw/zinc/72/34/44/970723444.db2.gz RVVUDQCWXVHUIV-QPPBQGQZSA-N 0 3 423.507 3.987 50 0 HHAAHN CCCC(=O)Nc1ccc2c(c1)nc(CCN1CCN(c3ccc(C)cc3)CC1)n2C ZINC000005694763 132307541 /nfs/dbraw/zinc/30/75/41/132307541.db2.gz JDGDIOCIMKPSGV-UHFFFAOYSA-N 0 3 419.573 3.985 50 0 HHAAHN CCN(CC)[C@H](Cn1cnc2c3c(sc2c1=O)SCC(=O)N3)c1ccccc1 ZINC000032624544 520869468 /nfs/dbraw/zinc/86/94/68/520869468.db2.gz BKCQFXAIASCRGX-CQSZACIVSA-N 0 3 414.556 3.585 50 0 HHAAHN CCC(CC)N(C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000032777929 521543178 /nfs/dbraw/zinc/54/31/78/521543178.db2.gz KODWQPIMQVNTLG-UHFFFAOYSA-N 0 3 409.596 3.619 50 0 HHAAHN CCc1ccc([C@H](CNC(=O)CSCC(=O)Nc2ccc(C)cc2)N(C)C)cc1 ZINC000032733178 524048967 /nfs/dbraw/zinc/04/89/67/524048967.db2.gz KRASWHYYRRYMAB-NRFANRHFSA-N 0 3 413.587 3.648 50 0 HHAAHN Cn1nnnc1SCCNCc1c(OCc2ccccc2)ccc2ccccc21 ZINC000002441865 557347908 /nfs/dbraw/zinc/34/79/08/557347908.db2.gz DJHYDSZCFLEUJY-UHFFFAOYSA-N 0 3 405.527 3.824 50 0 HHAAHN COCCN(C[C@@H]1CN(Cc2ccc[nH]2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740504 557443752 /nfs/dbraw/zinc/44/37/52/557443752.db2.gz QHTQETRUAUTZJL-SIKLNZKXSA-N 0 3 401.526 3.500 50 0 HHAAHN CCN1CCC[C@@H]1CNC(=O)c1nc(CCc2ccccc2)n(-c2ccccc2C)n1 ZINC000034911942 557478429 /nfs/dbraw/zinc/47/84/29/557478429.db2.gz VFTUZIQWQZCSJC-OAQYLSRUSA-N 0 3 417.557 3.575 50 0 HHAAHN Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000003802871 557498841 /nfs/dbraw/zinc/49/88/41/557498841.db2.gz WIYUZYBFCWCCQJ-IFKAHUTRSA-N 0 3 414.505 3.573 50 0 investigational HHAAHN O[C@H](CNC(c1ccccc1)c1ccccc1)COc1ccc(-c2nnco2)cc1 ZINC000005646984 557666298 /nfs/dbraw/zinc/66/62/98/557666298.db2.gz ABNFXKHGHIDLGX-OAQYLSRUSA-N 0 3 401.466 3.856 50 0 HHAAHN O=C(c1cccc(COc2ccc(Br)cc2)c1)N1CCN2CCC[C@H]2C1 ZINC000006057737 557685529 /nfs/dbraw/zinc/68/55/29/557685529.db2.gz IFIFQGABMMIPOV-IBGZPJMESA-N 0 3 415.331 3.948 50 0 HHAAHN Cc1cc(O)c([C@@H](c2ccncc2)N2CCC(C)CC2)c(=O)n1Cc1cccnc1 ZINC000022698125 557782056 /nfs/dbraw/zinc/78/20/56/557782056.db2.gz CBGYRBKDKKUAFX-HSZRJFAPSA-N 0 3 404.514 3.522 50 0 HHAAHN COc1cc(C)c(CN2CCC(n3nccc3NC(=O)c3cccnc3)CC2)cc1C ZINC000011816282 558279504 /nfs/dbraw/zinc/27/95/04/558279504.db2.gz GAJDWDAIKRSXRJ-UHFFFAOYSA-N 0 3 419.529 3.993 50 0 HHAAHN C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(CC1CCCCC1)CC2 ZINC000019781896 558281320 /nfs/dbraw/zinc/28/13/20/558281320.db2.gz OSAZWIGVQVQFPI-LJQANCHMSA-N 0 3 409.578 3.527 50 0 HHAAHN COc1cccc(-c2n[nH]cc2C(=O)N2CCC[C@H](N(C)Cc3ccccc3)C2)c1 ZINC000011820299 558283573 /nfs/dbraw/zinc/28/35/73/558283573.db2.gz CGLWRPHFKACCDM-FQEVSTJZSA-N 0 3 404.514 3.822 50 0 HHAAHN COc1ccc(NC(=O)CC2C(=O)N(Cc3ccco3)c3nc4ccccc4n32)cc1 ZINC000019817600 558287830 /nfs/dbraw/zinc/28/78/30/558287830.db2.gz BWQOZLGODWZIRG-HXUWFJFHSA-N 0 3 416.437 3.755 50 0 HHAAHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)Cc4ccccc4)C3)C2)c1OC ZINC000011879492 558294155 /nfs/dbraw/zinc/29/41/55/558294155.db2.gz LLGFYAVIOQSWRY-RUZDIDTESA-N 0 3 408.542 3.761 50 0 HHAAHN COc1ccc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccccc3OC)C2)cc1F ZINC000011879611 558294190 /nfs/dbraw/zinc/29/41/90/558294190.db2.gz MDQHNCAPICFHBF-SFHVURJKSA-N 0 3 414.521 3.870 50 0 HHAAHN CCOc1ccc(N2C(=O)C[C@@H](NCCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000019889607 558302540 /nfs/dbraw/zinc/30/25/40/558302540.db2.gz ZHUXHACFDJNFOL-GOSISDBHSA-N 0 3 407.297 3.856 50 0 HHAAHN O=C(NC[C@@H]1CCC2(CCN(Cc3ccccn3)CC2)O1)c1ccc2cc[nH]c2c1 ZINC000011973521 558305321 /nfs/dbraw/zinc/30/53/21/558305321.db2.gz SRRFOSLDBCTSQK-NRFANRHFSA-N 0 3 404.514 3.507 50 0 HHAAHN COc1ccc2[nH]c(C(=O)N(C)[C@@H]3CCCN(C4Cc5ccccc5C4)C3)cc2c1 ZINC000012022967 558309644 /nfs/dbraw/zinc/30/96/44/558309644.db2.gz CNSWBOOMQXSKLS-HXUWFJFHSA-N 0 3 403.526 3.880 50 0 HHAAHN Cc1ccc(CN2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3ccn(C)n3)CC2)o1 ZINC000012054791 558315416 /nfs/dbraw/zinc/31/54/16/558315416.db2.gz PRDWOIUOIQIZSD-XMMPIXPASA-N 0 3 420.557 3.917 50 0 HHAAHN COc1ccc(-c2nn(-c3ccccc3F)cc2CNCCOc2nonc2C)cc1 ZINC000012203633 558352021 /nfs/dbraw/zinc/35/20/21/558352021.db2.gz XSGQMQPZDRYQBC-UHFFFAOYSA-N 0 3 423.448 3.547 50 0 HHAAHN Cc1c(CN[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000020472437 558374063 /nfs/dbraw/zinc/37/40/63/558374063.db2.gz DHPXLLJFSCFCJR-OAQYLSRUSA-N 0 3 424.976 3.892 50 0 HHAAHN O=C(CCc1ccccc1)NC[C@@H]1CCCN(Cc2ccc(-n3cccn3)cc2)C1 ZINC000012315936 558379387 /nfs/dbraw/zinc/37/93/87/558379387.db2.gz OAVFQBUNNXJICK-QHCPKHFHSA-N 0 3 402.542 3.833 50 0 HHAAHN CCN1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2c(C)cccc2C)C1=O ZINC000020533530 558384973 /nfs/dbraw/zinc/38/49/73/558384973.db2.gz NLQIWBDDKSQIEE-NDWLXSOOSA-N 0 3 403.526 3.905 50 0 HHAAHN O=C(CN1CCCN(Cc2ccccc2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000022929750 558388330 /nfs/dbraw/zinc/38/83/30/558388330.db2.gz FXJKWYBDDUQGLV-UHFFFAOYSA-N 0 3 407.436 3.732 50 0 HHAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2csc(C(C)=O)c2)CC1 ZINC000012432946 558407038 /nfs/dbraw/zinc/40/70/38/558407038.db2.gz SDXUSSIYJXKPSX-HXUWFJFHSA-N 0 3 405.608 3.543 50 0 HHAAHN Cc1noc(C)c1CCC(=O)N(C)CC1CCN(CCc2ccc(F)cc2)CC1 ZINC000012580287 558432354 /nfs/dbraw/zinc/43/23/54/558432354.db2.gz KYESBMAEURVJAR-UHFFFAOYSA-N 0 3 401.526 3.776 50 0 HHAAHN CCN(CC)[C@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1ccccc1 ZINC000021807535 558450735 /nfs/dbraw/zinc/45/07/35/558450735.db2.gz XYHVSWJXZOASJB-HXUWFJFHSA-N 0 3 421.497 3.926 50 0 HHAAHN CCc1ccc([C@H](CNC(=O)C2CCN(C(=O)c3cccs3)CC2)N(C)C)cc1 ZINC000012971994 558489250 /nfs/dbraw/zinc/48/92/50/558489250.db2.gz KDMNCJGBOXYXRM-FQEVSTJZSA-N 0 3 413.587 3.582 50 0 HHAAHN CCCCN(C)Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn21 ZINC000023312395 558548878 /nfs/dbraw/zinc/54/88/78/558548878.db2.gz YJXDTWKPCHZIJI-UHFFFAOYSA-N 0 3 411.594 3.657 50 0 HHAAHN OCC[C@@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)CCN1C1CCCCC1 ZINC000023358106 558551500 /nfs/dbraw/zinc/55/15/00/558551500.db2.gz QWEXDTVSFOLJSD-HXUWFJFHSA-N 0 3 402.970 3.727 50 0 HHAAHN O=C(CC[C@@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1)NCc1ccccc1F ZINC000013636650 558554722 /nfs/dbraw/zinc/55/47/22/558554722.db2.gz PONQJXXFDOLPEL-SFHVURJKSA-N 0 3 412.505 3.906 50 0 HHAAHN O=C(CC1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000023382411 558555957 /nfs/dbraw/zinc/55/59/57/558555957.db2.gz NANFCYUNPXMFLL-HXUWFJFHSA-N 0 3 415.428 3.687 50 0 HHAAHN COCCCN1C(=O)C(CC(=O)Nc2ccc(C)c(C)c2)n2c3ccccc3nc21 ZINC000023411193 558557478 /nfs/dbraw/zinc/55/74/78/558557478.db2.gz OELBKWBSRINZDU-HXUWFJFHSA-N 0 3 406.486 3.606 50 0 HHAAHN O=C(CC1C(=O)N(C2CCCC2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 ZINC000023411269 558557697 /nfs/dbraw/zinc/55/76/97/558557697.db2.gz DMJMMRVJEMDKIW-SFHVURJKSA-N 0 3 418.453 3.624 50 0 HHAAHN CCOc1cc2c(cc1CNC[C@H](c1cccs1)N1CCOCC1)O[C@H](C)C2 ZINC000024763081 558611288 /nfs/dbraw/zinc/61/12/88/558611288.db2.gz SFCMUGLNFWUXPT-VQIMIIECSA-N 0 3 402.560 3.633 50 0 HHAAHN COc1cccc(NC(=O)[C@H](NCCc2ccc3c(c2)OCO3)c2ccccc2)c1 ZINC000025697759 558648224 /nfs/dbraw/zinc/64/82/24/558648224.db2.gz RHAYHJBPEFNKRX-HSZRJFAPSA-N 0 3 404.466 3.936 50 0 HHAAHN CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccccc1)CC2 ZINC000014745829 558668943 /nfs/dbraw/zinc/66/89/43/558668943.db2.gz MOZOACKSJKSKOC-UHFFFAOYSA-N 0 3 406.530 3.537 50 0 HHAAHN CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCc1ccc(F)c(F)c1)C2 ZINC000014752575 558671154 /nfs/dbraw/zinc/67/11/54/558671154.db2.gz JLWYUIFEFVLQKA-QGZVFWFLSA-N 0 3 416.516 3.845 50 0 HHAAHN Cc1nc(C(=O)NC[C@@H]2CCC3(CCN(Cc4ccc(F)cc4)CC3)O2)cs1 ZINC000014879507 558675571 /nfs/dbraw/zinc/67/55/71/558675571.db2.gz OCMDBIPWJRLCMI-SFHVURJKSA-N 0 3 403.523 3.534 50 0 HHAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)c1ccoc1C ZINC000014964040 558685147 /nfs/dbraw/zinc/68/51/47/558685147.db2.gz ZHXSEESTFSMNDG-UHFFFAOYSA-N 0 3 400.519 3.597 50 0 HHAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2ccccc2C(C)=O)C1 ZINC000014972318 558687853 /nfs/dbraw/zinc/68/78/53/558687853.db2.gz DHCIPRKTRHLGMD-FQEVSTJZSA-N 0 3 408.542 3.925 50 0 HHAAHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)CCC(F)(F)F)C3)C2)c1OC ZINC000014980167 558690828 /nfs/dbraw/zinc/69/08/28/558690828.db2.gz FTUICHASAHRRDU-FQEVSTJZSA-N 0 3 414.468 3.861 50 0 HHAAHN Cc1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)cc1 ZINC000014996697 558696318 /nfs/dbraw/zinc/69/63/18/558696318.db2.gz SVFMORRGCMIXQU-HXUWFJFHSA-N 0 3 421.545 3.755 50 0 HHAAHN CN(C)C[C@@](C)(O)c1ccc2c(c1)CN(Cc1cccc(C(F)(F)F)c1)CCO2 ZINC000014999868 558697243 /nfs/dbraw/zinc/69/72/43/558697243.db2.gz FFLFRZMXDFHKMH-OAQYLSRUSA-N 0 3 408.464 3.869 50 0 HHAAHN CC(C)=CCC[C@H](C)CN1CCc2nnc(CCNC(=O)c3ccc(C)cc3)n2CC1 ZINC000015000424 558697651 /nfs/dbraw/zinc/69/76/51/558697651.db2.gz WWIKWSYPAUSTHD-NRFANRHFSA-N 0 3 423.605 3.800 50 0 HHAAHN O=C(CCC1CCN(Cc2c[nH]nc2C2CCCCC2)CC1)NC[C@H]1CCCO1 ZINC000015068059 558710720 /nfs/dbraw/zinc/71/07/20/558710720.db2.gz OOSUNLBVPLJBJO-OAQYLSRUSA-N 0 3 402.583 3.745 50 0 HHAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)c1occc1C ZINC000015074081 558714685 /nfs/dbraw/zinc/71/46/85/558714685.db2.gz YTVXBHYWPSOCFK-UHFFFAOYSA-N 0 3 400.519 3.597 50 0 HHAAHN COc1cc(C[C@@H]2CC(CNCCc3c(C)[nH]c4ccccc43)=NO2)cc2c1OCO2 ZINC000015085755 558720414 /nfs/dbraw/zinc/72/04/14/558720414.db2.gz XSVUKSGTMASBLX-GOSISDBHSA-N 0 3 421.497 3.733 50 0 HHAAHN CCN1CCN(Cc2ccc(NC(=O)c3noc4c3CCc3sccc3-4)cc2)CC1 ZINC000022937403 558724894 /nfs/dbraw/zinc/72/48/94/558724894.db2.gz OTDPKDBRAMPBPS-UHFFFAOYSA-N 0 3 422.554 3.892 50 0 HHAAHN CC(=O)Nc1ccc(CN2CCC(O)(c3ccc(Br)cc3)CC2)cc1 ZINC000023282443 558781916 /nfs/dbraw/zinc/78/19/16/558781916.db2.gz YOYDHJZBGIBPGU-UHFFFAOYSA-N 0 3 403.320 3.891 50 0 HHAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cnn2c1nccc2-c1ccccc1 ZINC000034786203 558784017 /nfs/dbraw/zinc/78/40/17/558784017.db2.gz FEZZUJCXRGPNHF-UHFFFAOYSA-N 0 3 411.509 3.791 50 0 HHAAHN CCN(CC)[C@@H](CNC(=O)C1=NN(c2cccc(C)c2)C(=O)CC1)c1ccsc1 ZINC000057986437 558892507 /nfs/dbraw/zinc/89/25/07/558892507.db2.gz IIQIZWIYHKCJSS-FQEVSTJZSA-N 0 3 412.559 3.739 50 0 HHAAHN CSc1ccc(Cl)c(C(=O)NCc2ccc(N3CCCN(C)CC3)nc2)c1 ZINC000058101573 558899107 /nfs/dbraw/zinc/89/91/07/558899107.db2.gz GADVQZWRBNBYMM-UHFFFAOYSA-N 0 3 404.967 3.529 50 0 HHAAHN O=S(=O)(c1ccccc1F)N1CCC[C@H]1[C@H]1CCCN(Cc2ccccc2)C1 ZINC000058158608 558903798 /nfs/dbraw/zinc/90/37/98/558903798.db2.gz BFVNUDSALSSJKX-FPOVZHCZSA-N 0 3 402.535 3.891 50 0 HHAAHN COc1ccccc1N1CCN([C@H]2CCCN(Cc3ccc(F)c(OC)c3)C2)CC1 ZINC000019635744 558947516 /nfs/dbraw/zinc/94/75/16/558947516.db2.gz WVJCNWGHJGBCLF-FQEVSTJZSA-N 0 3 413.537 3.630 50 0 HHAAHN O=C1CCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CCN1 ZINC000072418945 558978221 /nfs/dbraw/zinc/97/82/21/558978221.db2.gz MAQXBKBCCZOVKG-UHFFFAOYSA-N 0 3 409.873 3.606 50 0 HHAAHN Cc1ccc(CN2CCC(C(=O)NCc3nc(-c4cccc(C)c4)no3)CC2)cc1 ZINC000067629742 558990257 /nfs/dbraw/zinc/99/02/57/558990257.db2.gz YZPQIVZHCGJDOC-UHFFFAOYSA-N 0 3 404.514 3.882 50 0 HHAAHN CCNc1cc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nc(C)n1 ZINC000067630197 558990513 /nfs/dbraw/zinc/99/05/13/558990513.db2.gz DZFZERAXXXTYBF-UHFFFAOYSA-N 0 3 401.514 3.846 50 0 HHAAHN Cc1csc(-c2cc(S(=O)(=O)NCCCN3CCC(C)CC3)c(C)s2)n1 ZINC000033290012 559047033 /nfs/dbraw/zinc/04/70/33/559047033.db2.gz UBTSRZCQPAIVDT-UHFFFAOYSA-N 0 3 413.634 3.889 50 0 HHAAHN CC(C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000004778504 559061288 /nfs/dbraw/zinc/06/12/88/559061288.db2.gz OQBUQQIWONWVCA-IRSIHTCSSA-N 0 3 413.606 3.734 50 0 HHAAHN CCc1ccccc1OCCN1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1 ZINC000091575057 559072118 /nfs/dbraw/zinc/07/21/18/559072118.db2.gz LQLWYTBNHVJQQZ-NRFANRHFSA-N 0 3 400.563 3.511 50 0 HHAAHN Cc1occc1C(=O)N(CCN(C)C)C[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000095531825 559087127 /nfs/dbraw/zinc/08/71/27/559087127.db2.gz AZLUDENEZUNBQR-LJQANCHMSA-N 0 3 401.526 3.643 50 0 HHAAHN Cc1ccc(-c2noc(CCC(=O)NCCCN3CCc4ccccc4C3)n2)cc1 ZINC000004921173 559206895 /nfs/dbraw/zinc/20/68/95/559206895.db2.gz BHZFNCPVQGHBLA-UHFFFAOYSA-N 0 3 404.514 3.542 50 0 HHAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccncc3)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000005100523 559245719 /nfs/dbraw/zinc/24/57/19/559245719.db2.gz PUFCLNNYRLZNST-VAMGGRTRSA-N 0 3 405.841 3.786 50 0 HHAAHN O=C(NCc1cccc(Cl)c1)c1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1 ZINC000039229725 559258451 /nfs/dbraw/zinc/25/84/51/559258451.db2.gz HZKRCMQLXSPZGV-OAQYLSRUSA-N 0 3 406.917 3.816 50 0 HHAAHN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CN3CCCCCC3)C2)c(C)c1 ZINC000011818794 559260504 /nfs/dbraw/zinc/26/05/04/559260504.db2.gz CPIFUTQOEQLNDN-FQEVSTJZSA-N 0 3 415.578 3.837 50 0 HHAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000135659809 559276225 /nfs/dbraw/zinc/27/62/25/559276225.db2.gz BBDZXTPMYXECLD-XUVXKRRUSA-N 0 3 406.463 3.808 50 0 HHAAHN CCN(CC)CCn1cnc2c(c1=N)[C@H](c1ccc(OC)cc1)c1ccc(O)cc1O2 ZINC000005348940 560571089 /nfs/dbraw/zinc/57/10/89/560571089.db2.gz CTYHIVDCFOAHAV-OAQYLSRUSA-N 0 3 420.513 3.704 50 0 HHAAHN CCC[C@@H]1[C@H]2C(=O)N(c3ccccc3Br)C(=O)C2ON1c1ccccc1 ZINC000101025202 560766769 /nfs/dbraw/zinc/76/67/69/560766769.db2.gz JPAGAUXKVTXNOI-KURKYZTESA-N 0 3 415.287 3.928 50 0 HHAAHN CCN(CC)[C@@H](CNC(=O)c1nc(C)n(-c2ccc(F)cc2)n1)c1ccsc1 ZINC000046688604 560803907 /nfs/dbraw/zinc/80/39/07/560803907.db2.gz JYSIQEILCUVNTE-SFHVURJKSA-N 0 3 401.511 3.589 50 0 HHAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)c1 ZINC000102663086 560819369 /nfs/dbraw/zinc/81/93/69/560819369.db2.gz WTVQUSKAZVHUDT-FDFHNCONSA-N 0 3 418.424 3.885 50 0 HHAAHN CC(C)(CO)NCc1cc2ccc(Cl)cc2n(CCOc2ccccc2)c1=O ZINC000012038644 560887642 /nfs/dbraw/zinc/88/76/42/560887642.db2.gz WYMFKZKFAIOJFV-UHFFFAOYSA-N 0 3 400.906 3.594 50 0 HHAAHN Cc1ccc(CNCc2cccc(OC[C@H](O)CN3CCc4ccccc4C3)c2)o1 ZINC000012053883 560887932 /nfs/dbraw/zinc/88/79/32/560887932.db2.gz CKSMJQIBTQQFHG-HSZRJFAPSA-N 0 3 406.526 3.676 50 0 HHAAHN O=C(c1cccc(OC2CCN(C3CSCCSC3)CC2)c1)N1CCCC1 ZINC000012091739 560888920 /nfs/dbraw/zinc/88/89/20/560888920.db2.gz IIYHGUKNEIXLOG-UHFFFAOYSA-N 0 3 406.617 3.614 50 0 HHAAHN CN(C)C[C@H](CNC(=O)Nc1ccc(-c2nccs2)cc1)[C@@H](O)c1ccccc1 ZINC000048353524 568441156 /nfs/dbraw/zinc/44/11/56/568441156.db2.gz FLAKRGKWKBOZAI-ICSRJNTNSA-N 0 3 410.543 3.843 50 0 HHAAHN CCOc1cc2c(cc1CNC[C@H](c1cccs1)N1CCN(C)CC1)O[C@@H](C)C2 ZINC000022804359 568499753 /nfs/dbraw/zinc/49/97/53/568499753.db2.gz JNEXNZCUVPEBRT-FXAWDEMLSA-N 0 3 415.603 3.549 50 0 HHAAHN CC[C@H](CNC(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1)N1CCCC1 ZINC000031229182 568503103 /nfs/dbraw/zinc/50/31/03/568503103.db2.gz VKXDKVCGKSSZRP-HXUWFJFHSA-N 0 3 412.530 3.887 50 0 HHAAHN CCCN1CCN(CCCNc2ncnc3onc(-c4ccc(Cl)cc4)c32)CC1 ZINC000020330039 568599039 /nfs/dbraw/zinc/59/90/39/568599039.db2.gz AEPZHUUTMCCFBD-UHFFFAOYSA-N 0 3 414.941 3.768 50 0 HHAAHN CC[C@H](NCc1ccc(OCC(F)(F)F)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000095462595 568621446 /nfs/dbraw/zinc/62/14/46/568621446.db2.gz NAFHCNHEFIZAMI-KRWDZBQOSA-N 0 3 402.438 3.516 50 0 HHAAHN Cc1ncc(CNC[C@@H](C)O)c2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000095480090 568632895 /nfs/dbraw/zinc/63/28/95/568632895.db2.gz XCHLMCUCBDKTNN-LLVKDONJSA-N 0 3 403.276 3.600 50 0 HHAAHN Cn1cccc1C(=O)N1CCCC[C@@H]1CCOC(=O)c1ccc(CN2CCCC2)cc1 ZINC000225388198 568633422 /nfs/dbraw/zinc/63/34/22/568633422.db2.gz YLSPPSAHOKWCCI-JOCHJYFZSA-N 0 3 423.557 3.863 50 0 HHAAHN CCCN1CCN(CCCNC(=O)C2=Cc3sc4c(c3CS2)CCCC4)CC1 ZINC000020931430 568651824 /nfs/dbraw/zinc/65/18/24/568651824.db2.gz SREUOQBFFKAGOH-UHFFFAOYSA-N 0 3 419.660 3.749 50 0 HHAAHN c1cc(CN2CCCCC2)n(-c2nnc(N3CCN(Cc4ccccc4)CC3)s2)c1 ZINC000020942728 568652935 /nfs/dbraw/zinc/65/29/35/568652935.db2.gz QWAYONPXCUYSNK-UHFFFAOYSA-N 0 3 422.602 3.637 50 0 HHAAHN CCOc1ccc([C@H](c2c(O)cc(C)n(CCOC)c2=O)N2CCC(C)CC2)cc1 ZINC000021098013 568665869 /nfs/dbraw/zinc/66/58/69/568665869.db2.gz CZZCLRXJWPSNDV-HSZRJFAPSA-N 0 3 414.546 3.729 50 0 HHAAHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000229968953 568716291 /nfs/dbraw/zinc/71/62/91/568716291.db2.gz HXJRKUHQBVJCQZ-XUVXKRRUSA-N 0 3 424.840 3.993 50 0 HHAAHN Cc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(N3CCCC3)nc(C)n2)CC1 ZINC000021795856 568753726 /nfs/dbraw/zinc/75/37/26/568753726.db2.gz ASNIRITVXABHJP-UHFFFAOYSA-N 0 3 414.941 3.701 50 0 HHAAHN COc1ccc(CNC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1Br ZINC000025262231 568761089 /nfs/dbraw/zinc/76/10/89/568761089.db2.gz FQVVTGRSFBTTCC-IBGZPJMESA-N 0 3 423.326 3.760 50 0 HHAAHN CN(C)C[C@@H](NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccccc1 ZINC000028084913 568779387 /nfs/dbraw/zinc/77/93/87/568779387.db2.gz JKPMGQLZTDFSMZ-OAQYLSRUSA-N 0 3 409.917 3.583 50 0 HHAAHN C[C@@H](Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C(=O)NC1CCCC1 ZINC000057286165 568825920 /nfs/dbraw/zinc/82/59/20/568825920.db2.gz BFLCPJDCFYDPIF-HXUWFJFHSA-N 0 3 406.574 3.868 50 0 HHAAHN Cc1cc2nnc(SCC(=O)NC[C@@H](c3ccccc3)N(C)C)n2c2ccccc12 ZINC000005885954 568828286 /nfs/dbraw/zinc/82/82/86/568828286.db2.gz HNJHGFFYMHWIAG-FQEVSTJZSA-N 0 3 419.554 3.702 50 0 HHAAHN CCc1ccc([C@H]2NC(=O)NC(CN(CC)Cc3ccccc3)=C2C(=O)OC)cc1 ZINC000057415149 568833829 /nfs/dbraw/zinc/83/38/29/568833829.db2.gz DZWDAOIHVIIFLB-JOCHJYFZSA-N 0 3 407.514 3.552 50 0 HHAAHN CCOC(=O)C1C(CN(CC)Cc2ccccc2)=NC(=O)N[C@H]1c1cccc(F)c1 ZINC000057415598 568833986 /nfs/dbraw/zinc/83/39/86/568833986.db2.gz PKNGLIIRYVTMQO-NRFANRHFSA-N 0 3 411.477 3.519 50 0 HHAAHN COc1cc(C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCCC2)cc(OC)c1OC ZINC000003261410 568849534 /nfs/dbraw/zinc/84/95/34/568849534.db2.gz VTHDVDAJZUUHBN-KUHUBIRLSA-N 0 3 404.532 3.729 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)NCCCN(C)c3ccccc3)cc2C)CC1 ZINC000057863810 568864491 /nfs/dbraw/zinc/86/44/91/568864491.db2.gz KBMVGGYNVORGNB-UHFFFAOYSA-N 0 3 409.578 3.785 50 0 HHAAHN CC1(C)C[C@@H](C(=O)NC[C@@H]2CCC3(CCN(Cc4ccc(F)cc4)CC3)O2)CCO1 ZINC000299770197 568874148 /nfs/dbraw/zinc/87/41/48/568874148.db2.gz QFJSKZJYZRUYPF-FPOVZHCZSA-N 0 3 418.553 3.661 50 0 HHAAHN CC(C)[C@H](NC(=O)c1cccs1)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000058011042 568875967 /nfs/dbraw/zinc/87/59/67/568875967.db2.gz INENECQXBFFEDY-FPOVZHCZSA-N 0 3 413.587 3.673 50 0 HHAAHN CCc1ccc([C@H](NCC(=O)Nc2cc(S(C)(=O)=O)ccc2C)C(C)C)cc1 ZINC000083823588 568917601 /nfs/dbraw/zinc/91/76/01/568917601.db2.gz JJPGZUGKLDPZKO-JOCHJYFZSA-N 0 3 402.560 3.886 50 0 HHAAHN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)CNC(C)(C)C ZINC000012769583 568950725 /nfs/dbraw/zinc/95/07/25/568950725.db2.gz GDYHJBUAWPRFDO-UHFFFAOYSA-N 0 3 420.531 3.936 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)Cc3c(F)c(F)c(F)c(F)c3F)cc2)CC1 ZINC000008232733 568984467 /nfs/dbraw/zinc/98/44/67/568984467.db2.gz FTSCPMYXAQHEPS-UHFFFAOYSA-N 0 3 413.390 3.705 50 0 HHAAHN CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccc(O)c1 ZINC000008373797 568995663 /nfs/dbraw/zinc/99/56/63/568995663.db2.gz GYJIKZSVKGJYOI-LJQANCHMSA-N 0 3 412.873 3.649 50 0 HHAAHN CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000012820880 569004844 /nfs/dbraw/zinc/00/48/44/569004844.db2.gz ZFDSTXWFKBRYBR-HSZRJFAPSA-N 0 3 423.557 3.718 50 0 HHAAHN O=C(CCc1ncc(-c2c(F)cccc2F)o1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000012823729 569007507 /nfs/dbraw/zinc/00/75/07/569007507.db2.gz JUWDXVPFXBONNP-KRWDZBQOSA-N 0 3 411.452 3.943 50 0 HHAAHN Cc1ccccc1CN1CCN(C2CCN(c3ccccc3C)CC2)C[C@H]1CCO ZINC000104484492 569008951 /nfs/dbraw/zinc/00/89/51/569008951.db2.gz XKBMIVOEZHVQQV-RUZDIDTESA-N 0 3 407.602 3.841 50 0 HHAAHN CCOc1ccc(CN2CCN(Cc3cccc4cnccc43)C[C@H]2CCO)cc1 ZINC000104625538 569008987 /nfs/dbraw/zinc/00/89/87/569008987.db2.gz MXOZGQXHQQEDIK-HSZRJFAPSA-N 0 3 405.542 3.702 50 0 HHAAHN CCOC(=O)c1ccc(NC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)cc1 ZINC000012887730 569019639 /nfs/dbraw/zinc/01/96/39/569019639.db2.gz JNJDKABZICYDMO-NRFANRHFSA-N 0 3 411.502 3.831 50 0 HHAAHN Cc1cccc(-c2ccc(N3CCC[C@@H](C(=O)NCCN4CCC(C)CC4)C3)nn2)c1 ZINC000035398275 569035084 /nfs/dbraw/zinc/03/50/84/569035084.db2.gz FPDGLNZJXSTCKW-JOCHJYFZSA-N 0 3 421.589 3.517 50 0 HHAAHN O=C(C[C@@H](c1cccs1)n1cccc1)NCc1ccccc1CN1CCC[C@H]1CO ZINC000225414072 569039843 /nfs/dbraw/zinc/03/98/43/569039843.db2.gz QZBGWHXOWHIDJF-VXKWHMMOSA-N 0 3 423.582 3.802 50 0 HHAAHN Cn1cccc1[C@H]1CCCN1CC(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000013020127 569051089 /nfs/dbraw/zinc/05/10/89/569051089.db2.gz RLSUGFVPJGPRTL-RUZDIDTESA-N 0 3 416.569 3.660 50 0 HHAAHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C1=O ZINC000245309034 569055696 /nfs/dbraw/zinc/05/56/96/569055696.db2.gz ABBALDGNDSAVGV-YPAWHYETSA-N 0 3 400.434 3.746 50 0 HHAAHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4onc5c4CCCC5)C3)C2)c1 ZINC000426374297 569072566 /nfs/dbraw/zinc/07/25/66/569072566.db2.gz PDODLUYRLKEKRO-XMMPIXPASA-N 0 3 409.530 3.690 50 0 HHAAHN CN(C)CCN(Cc1csc(COc2ccccc2)n1)C(=O)c1cccs1 ZINC000036031525 569081184 /nfs/dbraw/zinc/08/11/84/569081184.db2.gz CKWVFIZNMXYVBN-UHFFFAOYSA-N 0 3 401.557 3.988 50 0 HHAAHN Cc1ccccc1CN(Cc1nc(C(=O)NCCN(C)C)co1)Cc1ccc(F)cc1 ZINC000036072469 569086634 /nfs/dbraw/zinc/08/66/34/569086634.db2.gz CONHJRXJSWIPJE-UHFFFAOYSA-N 0 3 424.520 3.616 50 0 HHAAHN Cc1ccccc1CN(Cc1ccc2c(c1)OCO2)C[C@@H](O)COCc1ccco1 ZINC000036104611 569092619 /nfs/dbraw/zinc/09/26/19/569092619.db2.gz DHEIQJVSNBDESW-OAQYLSRUSA-N 0 3 409.482 3.897 50 0 HHAAHN Cc1ccc2c(c1)-c1c(cnn1CC(=O)NC1CCN(Cc3ccccc3)CC1)CO2 ZINC000006819676 569139335 /nfs/dbraw/zinc/13/93/35/569139335.db2.gz DPTHAOBPHYQJHI-UHFFFAOYSA-N 0 3 416.525 3.532 50 0 HHAAHN c1ccc(CN2CCC(N=C3NN=C(c4ccc5c(c4)OCCO5)CS3)CC2)cc1 ZINC000006863902 569158763 /nfs/dbraw/zinc/15/87/63/569158763.db2.gz MRNDYULFWGWPRO-UHFFFAOYSA-N 0 3 422.554 3.519 50 0 HHAAHN CCN1CCN(CCCNc2ccc(-c3nc(-c4ccc(C)cc4)no3)cn2)CC1 ZINC000065097819 569176643 /nfs/dbraw/zinc/17/66/43/569176643.db2.gz XDCLDKBBZHYWQG-UHFFFAOYSA-N 0 3 406.534 3.547 50 0 HHAAHN CCOc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)[nH]n2)cc1 ZINC000006942468 569186864 /nfs/dbraw/zinc/18/68/64/569186864.db2.gz JTCNTAXRBFESEQ-UHFFFAOYSA-N 0 3 404.514 3.870 50 0 HHAAHN CCN(CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(F)cc1 ZINC000007263658 569230792 /nfs/dbraw/zinc/23/07/92/569230792.db2.gz LZQGQFUVIBVOCZ-FQEVSTJZSA-N 0 3 412.436 3.958 50 0 HHAAHN CC(C)(C)OC(=O)N1CCC[C@H](CCN2CCN(CCOc3ccccc3)CC2)C1 ZINC000170601575 569243224 /nfs/dbraw/zinc/24/32/24/569243224.db2.gz TZHHDYLYCHYHPN-OAQYLSRUSA-N 0 3 417.594 3.720 50 0 HHAAHN COc1ccc([C@@H](c2c(O)cc(C)n(Cc3cccnc3)c2=O)N2CCCCC2)cc1 ZINC000016993781 569270873 /nfs/dbraw/zinc/27/08/73/569270873.db2.gz WCETXMJAOOJAOQ-DEOSSOPVSA-N 0 3 419.525 3.890 50 0 HHAAHN Cc1cc(NC(=O)CN[C@@H]2CCN(C)[C@H]2c2ccccc2)ccc1Br ZINC000253415743 569367092 /nfs/dbraw/zinc/36/70/92/569367092.db2.gz RMAZQVBCSWZSOJ-QUCCMNQESA-N 0 3 402.336 3.731 50 0 HHAAHN CC(=O)Nc1ccc2c(CN3CCCN(Cc4ccc(C)cc4)CC3)cc(=O)oc2c1 ZINC000055121802 569389979 /nfs/dbraw/zinc/38/99/79/569389979.db2.gz GPFZLVZUILJPSW-UHFFFAOYSA-N 0 3 419.525 3.768 50 0 HHAAHN Cc1cc(NC2CCN(CCOc3ccc(F)cc3)CC2)nc(-c2ccccn2)n1 ZINC000079064077 569426425 /nfs/dbraw/zinc/42/64/25/569426425.db2.gz ZETUHZDEKHKGJV-UHFFFAOYSA-N 0 3 407.493 3.941 50 0 HHAAHN O=C(Nc1cccc(N2CCOC2=O)c1)N(CCN1CCCC1)Cc1ccccc1 ZINC000079107193 569427758 /nfs/dbraw/zinc/42/77/58/569427758.db2.gz WJBMKSIKOAOCOQ-UHFFFAOYSA-N 0 3 408.502 3.773 50 0 HHAAHN COC1CCN(Cc2ccc(C(=O)N3CCN(Cc4cccc(C)c4)CC3)cc2)CC1 ZINC000040152623 571200305 /nfs/dbraw/zinc/20/03/05/571200305.db2.gz MQURSZWKLSSGJV-UHFFFAOYSA-N 0 3 421.585 3.564 50 0 HHAAHN CN1CCN(CCc2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000040157063 571203619 /nfs/dbraw/zinc/20/36/19/571203619.db2.gz JGLQIWSUXGOCAE-UHFFFAOYSA-N 0 3 406.357 3.965 50 0 HHAAHN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@H](C)O)C(C)C)cc1 ZINC000245281232 571222540 /nfs/dbraw/zinc/22/25/40/571222540.db2.gz WIRUARKGSPHMEU-GHTZIAJQSA-N 0 3 416.587 3.653 50 0 HHAAHN C[C@@H]1CCCCN1CCNC(=O)CC[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 ZINC000245327069 571225051 /nfs/dbraw/zinc/22/50/51/571225051.db2.gz INFIXQIOBXSUDV-RTBURBONSA-N 0 3 418.557 3.840 50 0 HHAAHN Oc1c2onc(-c3ccc(Br)cc3)c2c(O)n1-c1cccc2ccccc21 ZINC000009319788 571247923 /nfs/dbraw/zinc/24/79/23/571247923.db2.gz WYZKGYKOYGOCGM-IEBWSBKVSA-N 0 3 421.250 3.895 50 0 HHAAHN CC(C)C(=O)Nc1nc(CC(=O)NCc2ccccc2CN2CCCCC2)cs1 ZINC000070016852 571254460 /nfs/dbraw/zinc/25/44/60/571254460.db2.gz NDBINAWAETWDGJ-UHFFFAOYSA-N 0 3 414.575 3.582 50 0 HHAAHN Cc1ccc(C(=O)N[C@H](C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)C(C)C)cc1 ZINC000009517095 571265297 /nfs/dbraw/zinc/26/52/97/571265297.db2.gz KDGFIOQNZNVWRZ-XWGVYQGASA-N 0 3 419.569 3.892 50 0 HHAAHN C[C@H](NCc1ccccc1CN1CCOCC1)C(=O)Nc1cccc2ccccc21 ZINC000009753460 571284283 /nfs/dbraw/zinc/28/42/83/571284283.db2.gz ZMMANBFQEOMRIA-IBGZPJMESA-N 0 3 403.526 3.789 50 0 HHAAHN CCN(CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@@H]1c1ccccc1F ZINC000010233201 571297604 /nfs/dbraw/zinc/29/76/04/571297604.db2.gz ZABDGNQOYSJYBS-NRFANRHFSA-N 0 3 424.472 3.828 50 0 HHAAHN CCN(CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@H]1c1ccc(C)cc1 ZINC000010233196 571297633 /nfs/dbraw/zinc/29/76/33/571297633.db2.gz DTEAIQNYUULYBN-JOCHJYFZSA-N 0 3 420.509 3.997 50 0 HHAAHN CCN(CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@H]1c1ccccc1F ZINC000010233200 571297661 /nfs/dbraw/zinc/29/76/61/571297661.db2.gz ZABDGNQOYSJYBS-OAQYLSRUSA-N 0 3 424.472 3.828 50 0 HHAAHN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccc(C)cc2)N(CCCN(C)C)C1=O ZINC000010233220 571297692 /nfs/dbraw/zinc/29/76/92/571297692.db2.gz FJJZQMLCIUZHTL-OAQYLSRUSA-N 0 3 406.482 3.607 50 0 HHAAHN CCN(CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@H]1c1ccccc1 ZINC000010233194 571297703 /nfs/dbraw/zinc/29/77/03/571297703.db2.gz ARMRUHIOLSXDFV-OAQYLSRUSA-N 0 3 406.482 3.689 50 0 HHAAHN COc1cccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)N2CCCC2)c1 ZINC000010334103 571300622 /nfs/dbraw/zinc/30/06/22/571300622.db2.gz ZTWZUOZSSNROPC-HSZRJFAPSA-N 0 3 417.509 3.740 50 0 HHAAHN O=C(NC[C@H](c1ccccc1)N1CCCCCC1)c1cn(CCc2ccccc2)nn1 ZINC000012223817 962256114 /nfs/dbraw/zinc/25/61/14/962256114.db2.gz KEXOYPKQFSUMIZ-XMMPIXPASA-N 0 3 417.557 3.868 50 0 HHAAHN CN1CCN(C(=O)CC[C@H]2CCCN(Cc3ccccc3OC3CCCC3)C2)CC1 ZINC000014963149 962615462 /nfs/dbraw/zinc/61/54/62/962615462.db2.gz VISQSUONZIIZHG-OAQYLSRUSA-N 0 3 413.606 3.774 50 0 HHAAHN COc1cccc(CN2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)c1OC ZINC000019222086 963357862 /nfs/dbraw/zinc/35/78/62/963357862.db2.gz VINNPEONMNZKDA-QFIPXVFZSA-N 0 3 409.574 3.799 50 0 HHAAHN CC(C)CN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3ccc(O)cc3)CC2)C1=O ZINC000019883031 963375963 /nfs/dbraw/zinc/37/59/63/963375963.db2.gz BXFFNNFWUJJYLW-UHFFFAOYSA-N 0 3 421.541 3.847 50 0 HHAAHN OCC[C@@H]1CN(Cc2ccc3cc(Cl)ccc3n2)CCN1CCc1ccccc1 ZINC000023153332 963775587 /nfs/dbraw/zinc/77/55/87/963775587.db2.gz KJADPRQJVGOYPO-HSZRJFAPSA-N 0 3 409.961 4.000 50 0 HHAAHN CCc1ccc([C@@H](CNC(=O)/C=C\c2ccc(N3CCCC3=O)cc2)N(C)C)cc1 ZINC000096940650 969058361 /nfs/dbraw/zinc/05/83/61/969058361.db2.gz YWEMAOONTUSLNX-OBIZFTICSA-N 0 3 405.542 3.808 50 0 HHAAHN Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCN3CCCC3)C2=O)cc1 ZINC000004932898 132296274 /nfs/dbraw/zinc/29/62/74/132296274.db2.gz ZGOPEXDQHRKDOO-CJLVFECKSA-N 0 3 421.566 3.687 50 0 HHAAHN Cc1ccc(N2CCN(CCc3nc4cc(NC(=O)C(C)C)ccc4n3C)CC2)cc1 ZINC000005797250 132307997 /nfs/dbraw/zinc/30/79/97/132307997.db2.gz YDADWBUPEFAMEC-UHFFFAOYSA-N 0 3 419.573 3.841 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)CCc3nc(-c4cccs4)no3)cc2)CC1 ZINC000008193699 132328671 /nfs/dbraw/zinc/32/86/71/132328671.db2.gz NSPDAJCOVKRBNM-UHFFFAOYSA-N 0 3 411.531 3.511 50 0 HHAAHN O=C(CCC1CCN(Cc2ccc(O)cc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000012439450 132360126 /nfs/dbraw/zinc/36/01/26/132360126.db2.gz XOJAHHNAJVBGMO-UHFFFAOYSA-N 0 3 407.558 3.733 50 0 HHAAHN CCN1CCN(c2ccc(N[C@@H](C)C(=O)Nc3ccc(C(C)=O)cc3)c(C)c2)CC1 ZINC000032772037 521699552 /nfs/dbraw/zinc/69/95/52/521699552.db2.gz RNRANYSOQMSCJY-SFHVURJKSA-N 0 3 408.546 3.779 50 0 HHAAHN COc1cccc(CN[C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccccc3Cl)C2)c1 ZINC000032587014 526034604 /nfs/dbraw/zinc/03/46/04/526034604.db2.gz SEANZPJXDCWSJO-KNQAVFIVSA-N 0 3 415.965 3.606 50 0 HHAAHN Cc1noc2nc(-c3ccco3)cc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)c12 ZINC000032895288 526677867 /nfs/dbraw/zinc/67/78/67/526677867.db2.gz LTPBRFHFMIKMFQ-QGZVFWFLSA-N 0 3 402.454 3.796 50 0 HHAAHN O=c1c2c(ncn1Cc1ccncc1)sc1c2CC[C@H](NCc2ccccc2F)C1 ZINC000019835714 527457946 /nfs/dbraw/zinc/45/79/46/527457946.db2.gz KOZATFDWLFWCKV-KRWDZBQOSA-N 0 3 420.513 3.688 50 0 HHAAHN COc1ccccc1N1CCN(C2CCN(Cc3c[nH]c4ccccc34)CC2)CC1 ZINC000001166403 537068366 /nfs/dbraw/zinc/06/83/66/537068366.db2.gz ISPMHXBWYNDTHC-UHFFFAOYSA-N 0 3 404.558 3.963 50 0 HHAAHN CCOC(=O)c1sc(NC(=O)CCN2CCCCCC2)c(C(=O)OCC)c1C ZINC000000943196 557121906 /nfs/dbraw/zinc/12/19/06/557121906.db2.gz FWMGJOMHHMSLRH-UHFFFAOYSA-N 0 3 410.536 3.615 50 0 HHAAHN Cn1nnnc1SCCCNCc1ccccc1OCc1ccc(Cl)cc1 ZINC000006767738 557720589 /nfs/dbraw/zinc/72/05/89/557720589.db2.gz NXRHQNINGABYRC-UHFFFAOYSA-N 0 3 403.939 3.715 50 0 HHAAHN Cc1c[nH]c(CN(C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)n1 ZINC000011664622 558268179 /nfs/dbraw/zinc/26/81/79/558268179.db2.gz MMAAQVODLWAJIZ-OAQYLSRUSA-N 0 3 400.542 3.750 50 0 HHAAHN CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(Cc2ccc(COC)o2)C1 ZINC000011838340 558285341 /nfs/dbraw/zinc/28/53/41/558285341.db2.gz RBYWWTQSWFIVHG-HSZRJFAPSA-N 0 3 401.503 3.823 50 0 HHAAHN COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3cccc(C)n3)C2)c(OC)c1 ZINC000011938460 558301910 /nfs/dbraw/zinc/30/19/10/558301910.db2.gz BPDUEVDUVPMVPE-IBGZPJMESA-N 0 3 411.546 3.716 50 0 HHAAHN Cc1c(CN2CCC(CCC(=O)N3CCOCC3)CC2)[nH]c2c1cccc2Cl ZINC000012026034 558310187 /nfs/dbraw/zinc/31/01/87/558310187.db2.gz KLDXZJCNDOEAFV-UHFFFAOYSA-N 0 3 403.954 3.981 50 0 HHAAHN O=C1CC[C@H](CCNCc2ccccc2F)N1C[C@H](c1cccnc1)N1CCCCC1 ZINC000012056830 558316073 /nfs/dbraw/zinc/31/60/73/558316073.db2.gz CDJVABFBWVRXFK-ISKFKSNPSA-N 0 3 424.564 3.919 50 0 HHAAHN CSc1ccc(-c2ccc(C(=O)NCC(C)C)c(N(C)CCN(C)C)n2)cc1 ZINC000020168464 558343072 /nfs/dbraw/zinc/34/30/72/558343072.db2.gz VTPKCKBHJPARBP-UHFFFAOYSA-N 0 3 400.592 3.854 50 0 HHAAHN O=C(NC[C@H]1CCCN(Cc2cccc3nonc32)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000012298881 558369063 /nfs/dbraw/zinc/36/90/63/558369063.db2.gz HHSMNIATYWDCAV-MRXNPFEDSA-N 0 3 424.932 3.936 50 0 HHAAHN CCOCCCNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012303849 558373366 /nfs/dbraw/zinc/37/33/66/558373366.db2.gz MSOFNUNRJIQRAZ-UHFFFAOYSA-N 0 3 410.558 3.929 50 0 HHAAHN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](N(C)CCc3ccccc3)C2)c1C ZINC000012315946 558379304 /nfs/dbraw/zinc/37/93/04/558379304.db2.gz JKUZNKPZYCBMNR-FQEVSTJZSA-N 0 3 411.546 3.587 50 0 HHAAHN O=S(=O)(Cc1ccccc1)NC[C@H]1CCCN(Cc2cccc3cccnc32)C1 ZINC000012429893 558404744 /nfs/dbraw/zinc/40/47/44/558404744.db2.gz RIYDVGMUGZCAFR-HXUWFJFHSA-N 0 3 409.555 3.566 50 0 HHAAHN COc1ccc(-n2ncc([C@H](C)NC3CCN(Cc4ccccn4)CC3)c2C)cc1 ZINC000012430698 558405235 /nfs/dbraw/zinc/40/52/35/558405235.db2.gz VCPSIEKAXFTQFG-SFHVURJKSA-N 0 3 405.546 3.900 50 0 HHAAHN COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(C/C=C/c3ccc(F)cc3)C2)c1 ZINC000012439063 558410564 /nfs/dbraw/zinc/41/05/64/558410564.db2.gz LUABUYQQMQJSSN-JUGMSXHOSA-N 0 3 412.505 3.998 50 0 HHAAHN CC[C@H](Nc1ncnc2sc(C(=O)NCCN(C)C)c(C)c21)c1cccs1 ZINC000012450366 558416081 /nfs/dbraw/zinc/41/60/81/558416081.db2.gz ZBGWESZCPXMKSL-ZDUSSCGKSA-N 0 3 403.577 3.916 50 0 HHAAHN COc1ccc(-n2cc(CNC[C@H]3COCCO3)c(-c3ccccc3Cl)n2)cc1 ZINC000012586110 558434211 /nfs/dbraw/zinc/43/42/11/558434211.db2.gz NYFVZETXZOTSHL-IBGZPJMESA-N 0 3 413.905 3.706 50 0 HHAAHN CC(C)(CO)CNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012709415 558451581 /nfs/dbraw/zinc/45/15/81/558451581.db2.gz QIPCTFRVOAEAII-UHFFFAOYSA-N 0 3 410.558 3.521 50 0 HHAAHN CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(Cc2cccc3c2OCO3)C1 ZINC000012713438 558453805 /nfs/dbraw/zinc/45/38/05/558453805.db2.gz FFEVATIZFAXHBO-DEOSSOPVSA-N 0 3 411.498 3.812 50 0 HHAAHN COc1cccc(CNC(=O)CC[C@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)c1 ZINC000013636618 558554384 /nfs/dbraw/zinc/55/43/84/558554384.db2.gz ILOTUFMCVUSVBQ-LJQANCHMSA-N 0 3 408.542 3.939 50 0 HHAAHN O=C(CC[C@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1)NCc1ccccc1F ZINC000013636655 558554742 /nfs/dbraw/zinc/55/47/42/558554742.db2.gz PONQJXXFDOLPEL-GOSISDBHSA-N 0 3 412.505 3.906 50 0 HHAAHN O=C(CC1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc(Cl)c1 ZINC000023382140 558555476 /nfs/dbraw/zinc/55/54/76/558555476.db2.gz UULYMYQMBGKBBQ-APWZRJJASA-N 0 3 424.888 3.785 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)CCCOc3ccc(OC)cc3)c(C)c2)CC1 ZINC000024841322 558617108 /nfs/dbraw/zinc/61/71/08/558617108.db2.gz XNYUTMVLWPYGGX-UHFFFAOYSA-N 0 3 411.546 3.943 50 0 HHAAHN CN(C)Cc1ccc(-c2ccccc2CNC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000025235906 558635181 /nfs/dbraw/zinc/63/51/81/558635181.db2.gz DVBYYTFCLBBPMM-UHFFFAOYSA-N 0 3 405.523 3.654 50 0 HHAAHN COc1cccc(CN2CCC3(CC2)C(=O)N(CC(C)C)C(=O)N3CCC(C)C)c1 ZINC000014746509 558669351 /nfs/dbraw/zinc/66/93/51/558669351.db2.gz LKKNXCORUABFMF-UHFFFAOYSA-N 0 3 415.578 3.996 50 0 HHAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)/C=C/c1ccco1 ZINC000014969241 558686941 /nfs/dbraw/zinc/68/69/41/558686941.db2.gz BVOGBQUZTUVJLX-YVNCXZRQSA-N 0 3 413.537 3.734 50 0 HHAAHN Cc1ccsc1CN1CCc2nnc([C@@H](C)NC(=O)CCc3ccccc3)n2CC1 ZINC000014998160 558696752 /nfs/dbraw/zinc/69/67/52/558696752.db2.gz MKKXQXYHBZGIAG-GOSISDBHSA-N 0 3 423.586 3.516 50 0 HHAAHN CCN1CCN(C2(CNC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)CCCCC2)CC1 ZINC000028403210 558700041 /nfs/dbraw/zinc/70/00/41/558700041.db2.gz NRCVEBUJQMVCSF-LJQANCHMSA-N 0 3 422.013 3.872 50 0 HHAAHN CC(C)[C@@H](CNCc1cc2c(c(Br)c1)OCO2)NC(=O)OC(C)(C)C ZINC000072286244 558717287 /nfs/dbraw/zinc/71/72/87/558717287.db2.gz ICNZVDYTVZCTDN-CQSZACIVSA-N 0 3 415.328 3.817 50 0 HHAAHN CCN1CCN(c2ccc(N[C@@H](C(=O)N3CCCCC3)c3ccccc3)cc2)CC1 ZINC000015475148 558740717 /nfs/dbraw/zinc/74/07/17/558740717.db2.gz FGFRPGYEFQBCFE-XMMPIXPASA-N 0 3 406.574 3.994 50 0 HHAAHN COc1ccc(-c2nnsc2C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000036360698 558799452 /nfs/dbraw/zinc/79/94/52/558799452.db2.gz ZMHLZIGCOAUJKY-UHFFFAOYSA-N 0 3 408.527 3.608 50 0 HHAAHN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(O)cc1)N(CCCN(C)C)C3=O ZINC000016742008 558803859 /nfs/dbraw/zinc/80/38/59/558803859.db2.gz ZGCJTSMEYHSXEW-NRFANRHFSA-N 0 3 406.482 3.612 50 0 HHAAHN CN(C(=O)c1cc(=O)[nH]c2ccccc21)[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000039479095 558821749 /nfs/dbraw/zinc/82/17/49/558821749.db2.gz CMSJZCMXSZDGJF-HXUWFJFHSA-N 0 3 403.526 3.697 50 0 HHAAHN CN(C[C@@H]1CCCN(CCCOc2ccc3c(c2)OCO3)C1)C(=O)OC(C)(C)C ZINC000060339748 558852620 /nfs/dbraw/zinc/85/26/20/558852620.db2.gz ZWEFNBBGPWIMAW-KRWDZBQOSA-N 0 3 406.523 3.763 50 0 HHAAHN CCc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NCCN(C)C)c3)C2)cc1 ZINC000033035553 558859754 /nfs/dbraw/zinc/85/97/54/558859754.db2.gz QMAATJJIMMMSDK-QFIPXVFZSA-N 0 3 422.573 3.952 50 0 HHAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000023017966 558863093 /nfs/dbraw/zinc/86/30/93/558863093.db2.gz PVKGRKAVVYKXCX-WOJBJXKFSA-N 0 3 411.571 3.554 50 0 HHAAHN CN(C)CCNC(=O)c1ccc(OC2CCN(Cc3cccs3)CC2)c(Cl)c1 ZINC000055198260 558875786 /nfs/dbraw/zinc/87/57/86/558875786.db2.gz ZYHOVYWBQNQLDE-UHFFFAOYSA-N 0 3 421.994 3.736 50 0 HHAAHN O=C(NCc1ccc2c(c1)OCO2)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019375397 558881503 /nfs/dbraw/zinc/88/15/03/558881503.db2.gz ZOWNJHJCACTBET-UHFFFAOYSA-N 0 3 400.478 3.904 50 0 HHAAHN CCCN1CCN(c2ncnc3sc(C(=O)NCc4cccc(C)c4)c(C)c32)CC1 ZINC000033048460 558886085 /nfs/dbraw/zinc/88/60/85/558886085.db2.gz CUHAVPRDQOAGIR-UHFFFAOYSA-N 0 3 423.586 3.770 50 0 HHAAHN COC(=O)c1ncoc1-c1ccccc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000033131189 558887669 /nfs/dbraw/zinc/88/76/69/558887669.db2.gz OVTUDDWGMFDHIV-UHFFFAOYSA-N 0 3 419.481 3.523 50 0 HHAAHN CCN1CCN(Cc2ccc(CNC(=O)CCCc3c[nH]c4ccccc34)cc2)CC1 ZINC000058088258 558898492 /nfs/dbraw/zinc/89/84/92/558898492.db2.gz JVOMTSLUHNSRPX-UHFFFAOYSA-N 0 3 418.585 3.945 50 0 HHAAHN O=C(NC[C@@H]1CCN(c2ccccc2)C1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000058406736 558924704 /nfs/dbraw/zinc/92/47/04/558924704.db2.gz QBRFUQOQKDMYFZ-PMACEKPBSA-N 0 3 412.603 3.786 50 0 HHAAHN CCN1CCN(CCCNC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)CC1 ZINC000059922944 558939959 /nfs/dbraw/zinc/93/99/59/558939959.db2.gz RWRJJAWNYXBUIF-CQSZACIVSA-N 0 3 404.407 3.618 50 0 HHAAHN C[C@@H](NCc1ccccc1CN1CCOCC1)C(=O)Nc1ccc2ccccc2c1 ZINC000096536881 558966249 /nfs/dbraw/zinc/96/62/49/558966249.db2.gz ZKBHELGUYPCBPL-LJQANCHMSA-N 0 3 403.526 3.789 50 0 HHAAHN C[C@H](NCc1ccccc1CN1CCOCC1)C(=O)Nc1ccc2ccccc2c1 ZINC000096536880 558966255 /nfs/dbraw/zinc/96/62/55/558966255.db2.gz ZKBHELGUYPCBPL-IBGZPJMESA-N 0 3 403.526 3.789 50 0 HHAAHN COc1ccc(-c2nc3cc(C)ccc3cc2CN2CCN(C)[C@H](CCO)C2)cc1 ZINC000072462915 558983170 /nfs/dbraw/zinc/98/31/70/558983170.db2.gz BRYLWTLKSMIBHH-JOCHJYFZSA-N 0 3 405.542 3.717 50 0 HHAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)n1 ZINC000067603412 558988007 /nfs/dbraw/zinc/98/80/07/558988007.db2.gz IATPQLVSESONJR-UHFFFAOYSA-N 0 3 414.941 3.701 50 0 HHAAHN CC(C)CN(C)Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn21 ZINC000067805409 558993149 /nfs/dbraw/zinc/99/31/49/558993149.db2.gz JKOSYQKEXRPDDO-UHFFFAOYSA-N 0 3 411.594 3.513 50 0 HHAAHN Cc1cc2c(ccnc2N2CCC[C@@H](C(=O)NCCN3CCCCCC3)C2)s1 ZINC000033299628 559049556 /nfs/dbraw/zinc/04/95/56/559049556.db2.gz ZFIXSOCSUHUXLU-GOSISDBHSA-N 0 3 400.592 3.813 50 0 HHAAHN CCCCOc1ccc(C(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)cc1 ZINC000033318263 559055849 /nfs/dbraw/zinc/05/58/49/559055849.db2.gz WZHGYYDAYCAYIF-UHFFFAOYSA-N 0 3 423.561 3.527 50 0 HHAAHN CCc1ccccc1OCCN1CCC2(CCC(=O)N(C[C@H]3CCCO3)C2)CC1 ZINC000091575059 559072079 /nfs/dbraw/zinc/07/20/79/559072079.db2.gz LQLWYTBNHVJQQZ-OAQYLSRUSA-N 0 3 400.563 3.511 50 0 HHAAHN Cc1cccc(OCCN2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)c1C ZINC000092066475 559075460 /nfs/dbraw/zinc/07/54/60/559075460.db2.gz JJOOBVVFWBPXPT-OAQYLSRUSA-N 0 3 400.563 3.566 50 0 HHAAHN Cc1occc1C(=O)N(CCN(C)C)C[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000095531826 559087015 /nfs/dbraw/zinc/08/70/15/559087015.db2.gz AZLUDENEZUNBQR-IBGZPJMESA-N 0 3 401.526 3.643 50 0 HHAAHN CCOC(=O)c1c2c(sc1NC(=O)c1ccnn1CC)C(C)(C)NC(C)(C)C2 ZINC000011695971 559188784 /nfs/dbraw/zinc/18/87/84/559188784.db2.gz CZCDIWOTULGFSQ-UHFFFAOYSA-N 0 3 404.536 3.553 50 0 HHAAHN CCN(CC)CCOC(=O)c1ccc(Nc2ncnc3cc(OC)c(OC)cc32)cc1 ZINC000011990251 559269895 /nfs/dbraw/zinc/26/98/95/559269895.db2.gz HJEPBHBQHNWTAJ-UHFFFAOYSA-N 0 3 424.501 3.889 50 0 HHAAHN COc1ccc2c(c1)oc1c(c2=O)C(c2ccccc2F)N(c2cc(C)on2)C1=O ZINC000005245138 560550211 /nfs/dbraw/zinc/55/02/11/560550211.db2.gz GZCIYCLHJJJNES-IBGZPJMESA-N 0 3 406.369 3.987 50 0 HHAAHN CN(Cc1ccc2c(c1)OCO2)C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000062580216 560631373 /nfs/dbraw/zinc/63/13/73/560631373.db2.gz LXKCQKVOSDGJJO-NRFANRHFSA-N 0 3 420.431 3.828 50 0 HHAAHN COc1ccc(-c2nn(-c3ccccc3)c3c(O)n(-c4ccccc4F)c(O)c23)cc1 ZINC000100870155 560760491 /nfs/dbraw/zinc/76/04/91/560760491.db2.gz DRKRIHLARXGZMC-IRLDBZIGSA-N 0 3 415.424 3.617 50 0 HHAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(O)c3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102729527 560822230 /nfs/dbraw/zinc/82/22/30/560822230.db2.gz IGUTXHYMHKWJIM-PCCBWWKXSA-N 0 3 404.397 3.582 50 0 HHAAHN COc1ccc([C@H]2[C@@H](COC(=O)CCCNC(=O)OC(C)(C)C)CCCN2C)cc1 ZINC000106914055 560894529 /nfs/dbraw/zinc/89/45/29/560894529.db2.gz UYCUZMNLVLTQNF-NQIIRXRSSA-N 0 3 420.550 3.926 50 0 HHAAHN CCN(C(=O)Nc1ccc(N2CCOCC2)nc1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000106924949 560894541 /nfs/dbraw/zinc/89/45/41/560894541.db2.gz XSLRBRZZVPLYQG-KNQAVFIVSA-N 0 3 423.561 3.608 50 0 HHAAHN CCN(CC)CCN(C(=O)c1cc(C)n(C)n1)c1nc2c(cc(F)cc2F)s1 ZINC000012229254 560895972 /nfs/dbraw/zinc/89/59/72/560895972.db2.gz ZLYDSQYQZNEJFQ-UHFFFAOYSA-N 0 3 407.490 3.605 50 0 HHAAHN O=C(CCOc1ccccc1-c1ccccc1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000048264362 568433839 /nfs/dbraw/zinc/43/38/39/568433839.db2.gz ZDYTVWKJCFHVFZ-QFIPXVFZSA-N 0 3 408.542 3.836 50 0 HHAAHN CN(C)C[C@H](CNC(=O)Nc1nnc(C2CCCCC2)s1)[C@@H](O)c1ccccc1 ZINC000048275198 568435453 /nfs/dbraw/zinc/43/54/53/568435453.db2.gz KYEHYGQAEPWBEK-ROUUACIJSA-N 0 3 417.579 3.619 50 0 HHAAHN CCN(CC)[C@H](CNC(=O)CCc1cc(OC)cc(OC)c1)c1cccc(OC)c1 ZINC000024836981 568470079 /nfs/dbraw/zinc/47/00/79/568470079.db2.gz TVOOGNIQTXJWQW-HSZRJFAPSA-N 0 3 414.546 3.844 50 0 HHAAHN C[C@]1(COC(=O)c2ccc(CS(C)(=O)=O)cc2)CCCCN1Cc1ccccc1 ZINC000095469298 568625478 /nfs/dbraw/zinc/62/54/78/568625478.db2.gz IMNOGQOFJGFLCI-HSZRJFAPSA-N 0 3 415.555 3.833 50 0 HHAAHN Cn1cccc1C(=O)N1CCCC[C@H]1CCOC(=O)c1ccc(CN2CCCC2)cc1 ZINC000225388155 568633484 /nfs/dbraw/zinc/63/34/84/568633484.db2.gz YLSPPSAHOKWCCI-QFIPXVFZSA-N 0 3 423.557 3.863 50 0 HHAAHN CN(C)CCN(Cc1ccccn1)C(=O)N(C)c1ccc(Br)cc1F ZINC000225645122 568659692 /nfs/dbraw/zinc/65/96/92/568659692.db2.gz OLQVYEMYBHTMRY-UHFFFAOYSA-N 0 3 409.303 3.603 50 0 HHAAHN COc1ccc(OC)c(NC(=O)NCC2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000021366648 568690858 /nfs/dbraw/zinc/69/08/58/568690858.db2.gz DISLDESTPIAHHJ-UHFFFAOYSA-N 0 3 401.482 3.877 50 0 HHAAHN Cc1cccc(-c2ncc(CN3CCC(CCC(=O)NC[C@H]4CCCO4)CC3)cn2)c1 ZINC000015071415 568749339 /nfs/dbraw/zinc/74/93/39/568749339.db2.gz UMXSRAHVZCVFER-HSZRJFAPSA-N 0 3 422.573 3.739 50 0 HHAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)C1 ZINC000015077061 568749525 /nfs/dbraw/zinc/74/95/25/568749525.db2.gz QGPYDPUQHYABSP-LJQANCHMSA-N 0 3 423.948 3.508 50 0 HHAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)C1 ZINC000015077064 568749680 /nfs/dbraw/zinc/74/96/80/568749680.db2.gz QGPYDPUQHYABSP-IBGZPJMESA-N 0 3 423.948 3.508 50 0 HHAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000230042374 568804480 /nfs/dbraw/zinc/80/44/80/568804480.db2.gz QKCWRQZHQLQNEA-PWRODBHTSA-N 0 3 404.422 3.729 50 0 HHAAHN CCCNCc1cc(Br)ccc1OCC(=O)NCCc1ccccc1 ZINC000002741193 568806083 /nfs/dbraw/zinc/80/60/83/568806083.db2.gz LZEYVIGPZZGODJ-UHFFFAOYSA-N 0 3 405.336 3.686 50 0 HHAAHN O=C(NC[C@@H](c1ccccc1)N1CCCCCC1)c1csc(-c2ncccn2)n1 ZINC000670452170 568927130 /nfs/dbraw/zinc/92/71/30/568927130.db2.gz QERCOJAPYMSOFF-IBGZPJMESA-N 0 3 407.543 3.947 50 0 HHAAHN CCCCNc1nnc(SCC(=O)NC2CCN(Cc3ccccc3)CC2)s1 ZINC000012763201 568946756 /nfs/dbraw/zinc/94/67/56/568946756.db2.gz ACPVQPNIUGDHRT-UHFFFAOYSA-N 0 3 419.620 3.623 50 0 HHAAHN COc1ccc(NC(=O)[C@@H]2C[C@@H](CC(C)C)N[C@@]23c2cc(C)ccc2NC3=O)cc1 ZINC000229671641 568953179 /nfs/dbraw/zinc/95/31/79/568953179.db2.gz LXGWRKRXKJDGPC-YQOVMPOYSA-N 0 3 407.514 3.814 50 0 HHAAHN CC(C)C(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000035107862 568992061 /nfs/dbraw/zinc/99/20/61/568992061.db2.gz RTSCTICDMHXMOB-WIYYLYMNSA-N 0 3 409.578 3.711 50 0 biogenic HHAAHN Cc1cc(C)cc(N2CCC(N3CCN(Cc4cccc(C)n4)[C@H](CCO)C3)CC2)c1 ZINC000104316039 569008221 /nfs/dbraw/zinc/00/82/21/569008221.db2.gz RBMFTKGRPXPNFH-RUZDIDTESA-N 0 3 422.617 3.544 50 0 HHAAHN O=S(=O)([N-]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Br)s1 ZINC000012917698 569022604 /nfs/dbraw/zinc/02/26/04/569022604.db2.gz BGCUKPIJGLCJQC-UHFFFAOYSA-N 0 3 415.378 3.585 50 0 HHAAHN COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000015972528 569025214 /nfs/dbraw/zinc/02/52/14/569025214.db2.gz YVUFEZLYZUOAFD-GERBCZOESA-N 0 3 405.498 3.582 50 0 HHAAHN Cc1ccc(CN(Cc2nc(C(=O)NCCN(C)C)co2)Cc2ccccc2)c(C)c1 ZINC000036082910 569087314 /nfs/dbraw/zinc/08/73/14/569087314.db2.gz YPXGBUHDKNTNAC-UHFFFAOYSA-N 0 3 420.557 3.785 50 0 HHAAHN CC[C@@H](O)CN(CCc1nc(-c2ccc(Br)cc2)no1)Cc1ccco1 ZINC000036154843 569100982 /nfs/dbraw/zinc/10/09/82/569100982.db2.gz KQWBKTUEBNCVFG-MRXNPFEDSA-N 0 3 420.307 3.908 50 0 HHAAHN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@@H](C)O)C(C)C)cc1 ZINC000036309543 569131223 /nfs/dbraw/zinc/13/12/23/569131223.db2.gz WIRUARKGSPHMEU-WIYYLYMNSA-N 0 3 416.587 3.653 50 0 HHAAHN CCOC(=O)c1c(C)c(CCC(=O)N2CCN(C3CCCCC3)CC2)n(CC)c1C ZINC000064970504 569138718 /nfs/dbraw/zinc/13/87/18/569138718.db2.gz FYXPCEQMTCUJPV-UHFFFAOYSA-N 0 3 417.594 3.711 50 0 HHAAHN CCOc1ccc(NC(=O)c2cccnc2N2CCN[C@H](c3ccccc3)C2)cc1 ZINC000065255806 569208057 /nfs/dbraw/zinc/20/80/57/569208057.db2.gz FIIWDHKRUTYRNA-QFIPXVFZSA-N 0 3 402.498 3.884 50 0 HHAAHN COc1ccc(CN[C@H]2CCN(c3ccc(C(=O)Nc4ccccc4)cn3)C2)cc1 ZINC000065257036 569208655 /nfs/dbraw/zinc/20/86/55/569208655.db2.gz ROZFIMLOOJOCDP-NRFANRHFSA-N 0 3 402.498 3.711 50 0 HHAAHN CCN(CCNC(=O)c1cn2ccnc(-c3ccc(F)cc3)c2n1)Cc1ccccc1 ZINC000065274623 569215196 /nfs/dbraw/zinc/21/51/96/569215196.db2.gz RTIYOKDALCAPGZ-UHFFFAOYSA-N 0 3 417.488 3.787 50 0 HHAAHN Cc1cn2c(CNC[C@H](c3ccc(Cl)cc3)N3CCOCC3)c(C)nc2s1 ZINC000237918243 569281827 /nfs/dbraw/zinc/28/18/27/569281827.db2.gz IWKYBWRRDBHLHF-LJQANCHMSA-N 0 3 404.967 3.829 50 0 HHAAHN CCC1CCC(N(CC(=O)N[C@@H](C)C(=O)N(C)C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000252504700 569291190 /nfs/dbraw/zinc/29/11/90/569291190.db2.gz CWVNGBSHLZZPPF-DQOAATFDSA-N 0 3 405.558 3.750 50 0 HHAAHN CC(=O)CCc1ccc(OCC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1 ZINC000170654883 569295381 /nfs/dbraw/zinc/29/53/81/569295381.db2.gz WJBOWKAXLZCAJA-XXBNENTESA-N 0 3 408.542 3.756 50 0 HHAAHN CCO[C@H](O)[C@@H]1N[C@H](c2ccc(C(F)(F)F)cc2)C([N+](=O)[O-])[C@H]1c1ccccc1 ZINC000252626948 569310650 /nfs/dbraw/zinc/31/06/50/569310650.db2.gz RJAMVXLGGRZFAI-JKEDJMADSA-N 0 3 410.392 3.502 50 0 HHAAHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000252674599 569319478 /nfs/dbraw/zinc/31/94/78/569319478.db2.gz SIXCHSTYCOPRDB-XMSQKQJNSA-N 0 3 421.545 3.591 50 0 HHAAHN Cn1cc(CCC(=O)OC[C@@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000252680055 569319922 /nfs/dbraw/zinc/31/99/22/569319922.db2.gz VBXGEFKAIZDEBB-PXNSSMCTSA-N 0 3 409.452 3.998 50 0 HHAAHN Cc1cc(NC(=O)CN[C@H]2CCN(C)[C@@H]2c2ccccc2)ccc1Br ZINC000253415741 569367166 /nfs/dbraw/zinc/36/71/66/569367166.db2.gz RMAZQVBCSWZSOJ-AZUAARDMSA-N 0 3 402.336 3.731 50 0 HHAAHN CCN1CCC[C@@H]1CN/C=C1/c2ccccc2C(=O)N(c2cccc(Cl)c2)C1=O ZINC000002442165 569400786 /nfs/dbraw/zinc/40/07/86/569400786.db2.gz GTCAHMKSCHRHET-AFDUHFSSSA-N 0 3 409.917 3.942 50 0 HHAAHN CC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CCN(Cc1cccc(O)c1)CC2 ZINC000014746374 569409391 /nfs/dbraw/zinc/40/93/91/569409391.db2.gz WRSYLYOKDJUWMD-UHFFFAOYSA-N 0 3 401.551 3.693 50 0 HHAAHN O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)NC1CCN(Cc2ccccc2)CC1 ZINC000019173380 569414402 /nfs/dbraw/zinc/41/44/02/569414402.db2.gz VQAJDGMNSDMDOF-VOTSOKGWSA-N 0 3 412.917 3.905 50 0 HHAAHN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCN(C)C)occ3-c1ccccc1 ZINC000008879669 571131165 /nfs/dbraw/zinc/13/11/65/571131165.db2.gz OUXJHZQZUPOJOS-UHFFFAOYSA-N 0 3 404.466 3.735 50 0 biogenic HHAAHN COc1ccc([C@H](CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)N(C)C)cc1 ZINC000008941831 571168583 /nfs/dbraw/zinc/16/85/83/571168583.db2.gz KLKBOJPSUGSPIP-QHCPKHFHSA-N 0 3 404.514 3.791 50 0 HHAAHN COc1ccccc1[C@@H]1c2c(oc3cc(C)c(C)cc3c2=O)C(=O)N1CCCN(C)C ZINC000010233148 571297479 /nfs/dbraw/zinc/29/74/79/571297479.db2.gz VNMKBORTAQFCER-JOCHJYFZSA-N 0 3 420.509 3.915 50 0 HHAAHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1cccc2ccccc21 ZINC000010333619 571300705 /nfs/dbraw/zinc/30/07/05/571300705.db2.gz BPGNAWLRYISINN-HXUWFJFHSA-N 0 3 413.880 3.990 50 0 HHAAHN CCNC(=O)[C@H]1C[C@@H](c2ccc(F)c(C)c2)CN(Cc2cc(OC)cc(OC)c2)C1 ZINC000034716733 571316414 /nfs/dbraw/zinc/31/64/14/571316414.db2.gz OOEVUBROORSHKM-UXHICEINSA-N 0 3 414.521 3.893 50 0 HHAAHN COCc1cc(CN2CCC[C@H](Nc3ccc(OC)c(OC)c3)C2)ccc1OC ZINC000011821398 962199836 /nfs/dbraw/zinc/19/98/36/962199836.db2.gz UFIZDZNDIBTEHT-FQEVSTJZSA-N 0 3 400.519 3.935 50 0 HHAAHN CCCCc1ncc(CN2CCOc3ccc(CN4C[C@@H](C)O[C@@H](C)C4)cc3C2)[nH]1 ZINC000012246420 962257893 /nfs/dbraw/zinc/25/78/93/962257893.db2.gz DJCUQDJEZSGFMH-KDURUIRLSA-N 0 3 412.578 3.756 50 0 HHAAHN CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(CC(C)C)cc1)CC2 ZINC000014967077 962614610 /nfs/dbraw/zinc/61/46/10/962614610.db2.gz GDDWATKVBRSLTD-QFIPXVFZSA-N 0 3 411.594 3.758 50 0 HHAAHN COCCO[C@@H]1CN(C2CCN(C(=O)Nc3ccccc3F)CC2)C12CCCCC2 ZINC000257181693 970619880 /nfs/dbraw/zinc/61/98/80/970619880.db2.gz NSJNAQJLYBJCIW-OAQYLSRUSA-N 0 3 419.541 3.872 50 0 HHAAHN CC(C)(C)CN1CCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C[C@@H]1CCO ZINC000020598845 518662915 /nfs/dbraw/zinc/66/29/15/518662915.db2.gz UYRROJFNQPSPQD-FQEVSTJZSA-N 0 3 402.970 3.712 50 0 HHAAHN CC1CCN([C@H](CNC(=O)Cn2ccc(C(F)(F)F)n2)c2cccs2)CC1 ZINC000041299866 521037216 /nfs/dbraw/zinc/03/72/16/521037216.db2.gz UHSUNESZNDCTSU-CQSZACIVSA-N 0 3 400.470 3.553 50 0 HHAAHN CCNC(=O)[C@@H]1C[C@@H](NCc2ccc(SC)cc2)CN1Cc1ccccc1Cl ZINC000032540709 521744831 /nfs/dbraw/zinc/74/48/31/521744831.db2.gz BRTAIAWAOFNFNP-NQIIRXRSSA-N 0 3 418.006 3.931 50 0 HHAAHN CN1CCC2(CC1)C[C@H](NC(=O)COc1ccc3c(c1)CCC3)c1ccccc1O2 ZINC000032676320 523785841 /nfs/dbraw/zinc/78/58/41/523785841.db2.gz ZUMIIFIAQAXMKW-QFIPXVFZSA-N 0 3 406.526 3.659 50 0 HHAAHN COc1ccc(CCNC(=O)N[C@H](C)[C@@H](c2ccccc2)N2CCCC2)cc1OC ZINC000032754961 523964345 /nfs/dbraw/zinc/96/43/45/523964345.db2.gz NQASDOHJALQZOZ-JPYJTQIMSA-N 0 3 411.546 3.771 50 0 HHAAHN Cc1cc(CN2CCC(CNC(=O)C3(c4ccccc4)CCOCC3)CC2)c(C)o1 ZINC000043972782 524673427 /nfs/dbraw/zinc/67/34/27/524673427.db2.gz CBHIJMMUKPEHHT-UHFFFAOYSA-N 0 3 410.558 3.973 50 0 HHAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(CSc2nc[nH]n2)cc1 ZINC000040160060 526578897 /nfs/dbraw/zinc/57/88/97/526578897.db2.gz BYIWOTXNMBQNCY-HXUWFJFHSA-N 0 3 407.543 3.664 50 0 HHAAHN CCN1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000002218910 535549206 /nfs/dbraw/zinc/54/92/06/535549206.db2.gz LZMKBTCUMPSQLV-OGTCDWKQSA-N 0 3 403.526 3.905 50 0 HHAAHN O=C(C1CC1)N1C[C@@H](CN2CCN(c3ccccc3)CC2)[C@H](c2cccc(F)c2)C1 ZINC000034698399 557381101 /nfs/dbraw/zinc/38/11/01/557381101.db2.gz CGNJPKMWWWMXMP-QPPBQGQZSA-N 0 3 407.533 3.600 50 0 HHAAHN O[C@@H](CNCc1ccc2c(c1)OCO2)COc1ccc(SC(F)(F)F)cc1 ZINC000004324483 557541581 /nfs/dbraw/zinc/54/15/81/557541581.db2.gz KCTVRNALCIZAGP-ZDUSSCGKSA-N 0 3 401.406 3.557 50 0 HHAAHN O=C(C1CCN(Cc2ccccc2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000004679496 557580359 /nfs/dbraw/zinc/58/03/59/557580359.db2.gz BGZKXLXTOYBVFH-KPKJPENVSA-N 0 3 403.570 3.756 50 0 HHAAHN COc1ccc(CC[N@H+](C)Cc2cc(Br)c([O-])c(OC)c2)cc1OC ZINC000004948400 557616314 /nfs/dbraw/zinc/61/63/14/557616314.db2.gz SWPAWVBUBOWCPW-UHFFFAOYSA-N 0 3 410.308 3.855 50 0 HHAAHN COc1ccc(CC[N@@H+](C)Cc2cc(Br)c([O-])c(OC)c2)cc1OC ZINC000004948400 557616316 /nfs/dbraw/zinc/61/63/16/557616316.db2.gz SWPAWVBUBOWCPW-UHFFFAOYSA-N 0 3 410.308 3.855 50 0 HHAAHN COC(=O)c1ccc(OC[C@H](O)CN(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000005022404 557626750 /nfs/dbraw/zinc/62/67/50/557626750.db2.gz QLBVCVLDEMIUFX-HSZRJFAPSA-N 0 3 405.494 3.915 50 0 HHAAHN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000022680819 557767727 /nfs/dbraw/zinc/76/77/27/557767727.db2.gz MPFXOCYITZBPPZ-YLJYHZDGSA-N 0 3 417.575 3.685 50 0 HHAAHN O[C@H](COCc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019720980 558259311 /nfs/dbraw/zinc/25/93/11/558259311.db2.gz MSSZMIUMUQIRJI-SANMLTNESA-N 0 3 416.565 3.971 50 0 HHAAHN Cc1nc(CCNCc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)sc1C ZINC000019744855 558265555 /nfs/dbraw/zinc/26/55/55/558265555.db2.gz KBMXKIKABPHRRQ-UHFFFAOYSA-N 0 3 411.575 3.674 50 0 HHAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCC(=O)N(C2CCCCCC2)C1 ZINC000011770273 558274339 /nfs/dbraw/zinc/27/43/39/558274339.db2.gz IAEXNCQILPFEDN-NRFANRHFSA-N 0 3 411.590 3.729 50 0 HHAAHN COc1ccc(F)cc1C(=O)[C@@H]1CCCN(C2CCN(Cc3ccccn3)CC2)C1 ZINC000011818741 558281874 /nfs/dbraw/zinc/28/18/74/558281874.db2.gz XEAOYOOEWMDBDA-GOSISDBHSA-N 0 3 411.521 3.789 50 0 HHAAHN CCc1ccc(NC(=O)CC2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)cc1 ZINC000019817509 558287845 /nfs/dbraw/zinc/28/78/45/558287845.db2.gz UEJOEFNBEWUOIH-NQIIRXRSSA-N 0 3 418.497 3.694 50 0 HHAAHN O=S(=O)(Cc1ccccc1)NC[C@H]1CCCN(Cc2cccc3cnccc32)C1 ZINC000011874105 558291653 /nfs/dbraw/zinc/29/16/53/558291653.db2.gz KDKXTZWGVDGZEI-HXUWFJFHSA-N 0 3 409.555 3.566 50 0 HHAAHN Cc1cc(NC(=O)CCN2CCN(Cc3ccccc3)CC2)ccc1Br ZINC000019853539 558296167 /nfs/dbraw/zinc/29/61/67/558296167.db2.gz HHLPBUQPFJWKRI-UHFFFAOYSA-N 0 3 416.363 3.904 50 0 HHAAHN OC[C@@H]1CCCCN1Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000012028392 558310735 /nfs/dbraw/zinc/31/07/35/558310735.db2.gz KZMPPEGHWBFNSS-NRFANRHFSA-N 0 3 405.498 3.674 50 0 HHAAHN Cc1ccc(-n2cccn2)c(CN2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)c1 ZINC000012076177 558319876 /nfs/dbraw/zinc/31/98/76/558319876.db2.gz BWPSUWIZTOIOJT-IBGZPJMESA-N 0 3 406.505 3.962 50 0 HHAAHN CCc1ccccc1NC(=O)CC1C(=O)N(CCCOC)c2nc3ccccc3n21 ZINC000020103432 558332490 /nfs/dbraw/zinc/33/24/90/558332490.db2.gz BYXQCVJEEXISNE-HXUWFJFHSA-N 0 3 406.486 3.552 50 0 HHAAHN C[C@H]1CCCN(Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)c(=O)[nH]2)C1 ZINC000012245356 558361515 /nfs/dbraw/zinc/36/15/15/558361515.db2.gz RYRMZYLGUDNAFM-AWEZNQCLSA-N 0 3 407.436 3.556 50 0 HHAAHN COc1ccc(C(=O)NC2CC2)cc1OC1CCN([C@H](C)Cc2cc(C)ccn2)CC1 ZINC000020450720 558365448 /nfs/dbraw/zinc/36/54/48/558365448.db2.gz MYJMDHNEGYCHGR-GOSISDBHSA-N 0 3 423.557 3.765 50 0 HHAAHN CCCn1ncc(C(=O)N2CC[C@]3(C2)CCCN(Cc2cccc(OC)c2)C3)c1C ZINC000012430318 558405032 /nfs/dbraw/zinc/40/50/32/558405032.db2.gz KSLOZTCNBJBQOT-XMMPIXPASA-N 0 3 410.562 3.738 50 0 HHAAHN CN(C)c1ccc(CCC(=O)N(C)[C@H]2CCCN(C3Cc4ccccc4C3)C2)cc1 ZINC000012436161 558409084 /nfs/dbraw/zinc/40/90/84/558409084.db2.gz XWDAYJWUUIIOHO-DEOSSOPVSA-N 0 3 405.586 3.775 50 0 HHAAHN c1c2ccccc2oc1-c1nn(Cc2ccccc2)cc1CNC[C@H]1COCCO1 ZINC000012440473 558411768 /nfs/dbraw/zinc/41/17/68/558411768.db2.gz SKVOPWWDEMFKCH-NRFANRHFSA-N 0 3 403.482 3.850 50 0 HHAAHN COC(=O)c1ccccc1C(=O)N(C)C[C@@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000012578037 558431515 /nfs/dbraw/zinc/43/15/15/558431515.db2.gz GAZUVUQKVUUQRW-IBGZPJMESA-N 0 3 412.505 3.639 50 0 HHAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000021807537 558450891 /nfs/dbraw/zinc/45/08/91/558450891.db2.gz IUFXCNCIVCEPMQ-HXUWFJFHSA-N 0 3 419.481 3.680 50 0 HHAAHN COc1cc(CNCCN(C)C)cc(Br)c1OCc1ccc(F)cc1 ZINC000022075615 558462497 /nfs/dbraw/zinc/46/24/97/558462497.db2.gz LCZXLALXESUFKO-UHFFFAOYSA-N 0 3 411.315 3.827 50 0 HHAAHN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000012806287 558473831 /nfs/dbraw/zinc/47/38/31/558473831.db2.gz BBQYEPUWFVGESX-UHFFFAOYSA-N 0 3 411.521 3.590 50 0 HHAAHN CN(CCc1ccccc1)Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000023128945 558536676 /nfs/dbraw/zinc/53/66/76/558536676.db2.gz DUEYJYGKJWDQKJ-DEOSSOPVSA-N 0 3 415.537 3.857 50 0 HHAAHN Cc1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c(C)c1 ZINC000023340041 558550683 /nfs/dbraw/zinc/55/06/83/558550683.db2.gz FCIXDBXTCRSKHK-QFIPXVFZSA-N 0 3 421.545 3.673 50 0 HHAAHN CCc1ccccc1NC(=O)CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21 ZINC000023382206 558555747 /nfs/dbraw/zinc/55/57/47/558555747.db2.gz NIWLIVVGVCOYPG-LAUBAEHRSA-N 0 3 418.497 3.694 50 0 HHAAHN O=C(CC1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1cccc(F)c1 ZINC000023382465 558556009 /nfs/dbraw/zinc/55/60/09/558556009.db2.gz YNSAZNLKMJNNAC-HXUWFJFHSA-N 0 3 415.428 3.687 50 0 HHAAHN O=C(CC1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000023411310 558557808 /nfs/dbraw/zinc/55/78/08/558557808.db2.gz HNCVNYXHHBBHPS-FQEVSTJZSA-N 0 3 415.428 3.687 50 0 HHAAHN O=C(Cc1c(O)nc2[nH]c3ccccc3n21)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000013684209 558568253 /nfs/dbraw/zinc/56/82/53/558568253.db2.gz GTJOVZHMFLMTQV-CQSZACIVSA-N 0 3 408.767 3.884 50 0 HHAAHN O=C(CC1C(=O)N=C2Nc3ccccc3N21)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000013684209 558568256 /nfs/dbraw/zinc/56/82/56/558568256.db2.gz GTJOVZHMFLMTQV-CQSZACIVSA-N 0 3 408.767 3.884 50 0 HHAAHN CCN1CCN(C(=O)[C@@H](C)NC[C@@H](c2cccs2)c2c[nH]c3ccccc32)CC1 ZINC000024258845 558593346 /nfs/dbraw/zinc/59/33/46/558593346.db2.gz RGXHXEQOMFBAJA-YLJYHZDGSA-N 0 3 410.587 3.504 50 0 HHAAHN CCOc1cc2c(cc1CNC[C@@H](c1cccs1)N1CCOCC1)O[C@H](C)C2 ZINC000024763097 558611239 /nfs/dbraw/zinc/61/12/39/558611239.db2.gz SFCMUGLNFWUXPT-APWZRJJASA-N 0 3 402.560 3.633 50 0 HHAAHN Cc1nn(C)c2nc(C(C)C)cc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)c12 ZINC000024837335 558616273 /nfs/dbraw/zinc/61/62/73/558616273.db2.gz DCRAXPLXZLQELM-OAQYLSRUSA-N 0 3 405.546 3.967 50 0 HHAAHN COc1cccc(CN2C(=O)N(CCC(C)C)C3(CCN(C(C)C)CC3)C2=O)c1 ZINC000014538152 558658921 /nfs/dbraw/zinc/65/89/21/558658921.db2.gz QAMSEVPPZGUZDR-UHFFFAOYSA-N 0 3 401.551 3.749 50 0 HHAAHN CC(C)CNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2ccc(O)cc2)C1 ZINC000014733345 558666163 /nfs/dbraw/zinc/66/61/63/558666163.db2.gz AUTOBCAOKNGENR-VQTJNVASSA-N 0 3 414.521 3.821 50 0 HHAAHN CN(C)C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccccc1 ZINC000027150492 558670317 /nfs/dbraw/zinc/67/03/17/558670317.db2.gz KDLLNOFSDNBCAF-QFIPXVFZSA-N 0 3 419.525 3.648 50 0 HHAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(Cc2nc(C(C)C)cs2)CC1 ZINC000014965777 558685575 /nfs/dbraw/zinc/68/55/75/558685575.db2.gz WHOYUNDZARWAFD-IBGZPJMESA-N 0 3 406.640 3.859 50 0 HHAAHN COc1cccc(CN2C(=O)CC[C@@H]2CCNCc2cc3c(cc2Cl)OCO3)c1 ZINC000014988288 558693301 /nfs/dbraw/zinc/69/33/01/558693301.db2.gz DEFRAKHAPCZYJF-QGZVFWFLSA-N 0 3 416.905 3.748 50 0 HHAAHN C[C@H]1C[C@H]1c1ccc(CCC(=O)NCCCN2CCN(Cc3ccccc3)CC2)o1 ZINC000072277372 558703426 /nfs/dbraw/zinc/70/34/26/558703426.db2.gz LPDKOVIRMUYWOW-NZQKXSOJSA-N 0 3 409.574 3.660 50 0 HHAAHN CCN(CC)[C@@H](CNC(=O)CCNC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000029164911 558711016 /nfs/dbraw/zinc/71/10/16/558711016.db2.gz CGZSCYLMVCXMHZ-FQEVSTJZSA-N 0 3 401.938 3.659 50 0 HHAAHN COc1ccc(C(=O)Nc2ccnn2C2CCN(Cc3cccc(OC)c3)CC2)cc1 ZINC000015069628 558711946 /nfs/dbraw/zinc/71/19/46/558711946.db2.gz SLISJERVQIEYDR-UHFFFAOYSA-N 0 3 420.513 3.990 50 0 HHAAHN CC(C)[C@H](CNCc1cc2c(c(Br)c1)OCO2)NC(=O)OC(C)(C)C ZINC000072286245 558717294 /nfs/dbraw/zinc/71/72/94/558717294.db2.gz ICNZVDYTVZCTDN-AWEZNQCLSA-N 0 3 415.328 3.817 50 0 HHAAHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)NCCc1cn2ccccc2n1 ZINC000072289643 558722125 /nfs/dbraw/zinc/72/21/25/558722125.db2.gz RCPJXXDIBJHPEK-QFIPXVFZSA-N 0 3 419.573 3.649 50 0 HHAAHN CCc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000016751532 558804891 /nfs/dbraw/zinc/80/48/91/558804891.db2.gz MNMKPBHGPOWQBN-NRFANRHFSA-N 0 3 408.473 3.991 50 0 HHAAHN CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000016751521 558804916 /nfs/dbraw/zinc/80/49/16/558804916.db2.gz QSMUAZOIDSNLBY-NRFANRHFSA-N 0 3 424.472 3.828 50 0 HHAAHN COc1ccc(C(=O)[C@@H]2CCCN(C3CCN(Cc4ccccn4)CC3)C2)c(OC)c1 ZINC000019112654 558841702 /nfs/dbraw/zinc/84/17/02/558841702.db2.gz FRYSEKCYGABFJU-LJQANCHMSA-N 0 3 423.557 3.658 50 0 HHAAHN O=C(c1c[nH]nc1-c1cccc(Br)c1)N1CCN(C2CCCCC2)CC1 ZINC000072328683 558864270 /nfs/dbraw/zinc/86/42/70/558864270.db2.gz WPHGFOKVXLYPLS-UHFFFAOYSA-N 0 3 417.351 3.930 50 0 HHAAHN CN1CCN(CCCNC(=O)c2cc(F)c(F)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000033135295 558888146 /nfs/dbraw/zinc/88/81/46/558888146.db2.gz YEAOBLKYVJVGHI-HXUWFJFHSA-N 0 3 407.892 3.727 50 0 HHAAHN C[C@H](Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C(=O)NCc1ccco1 ZINC000058176727 558909618 /nfs/dbraw/zinc/90/96/18/558909618.db2.gz JMFBEJWGWCODTR-FQEVSTJZSA-N 0 3 418.541 3.719 50 0 HHAAHN NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)C1 ZINC000058315620 558919165 /nfs/dbraw/zinc/91/91/65/558919165.db2.gz SQKGSRLMKITFFQ-CQSZACIVSA-N 0 3 406.313 3.943 50 0 HHAAHN Cc1ccc(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)s1 ZINC000019595389 558946164 /nfs/dbraw/zinc/94/61/64/558946164.db2.gz ITWSFRNMQXVAFO-FQEVSTJZSA-N 0 3 413.587 3.567 50 0 HHAAHN O=C(CCN1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)Nc1nccs1 ZINC000065397271 558977248 /nfs/dbraw/zinc/97/72/48/558977248.db2.gz BKRUCDVKAMVWPJ-UHFFFAOYSA-N 0 3 401.467 3.540 50 0 HHAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)n1 ZINC000072436873 558980345 /nfs/dbraw/zinc/98/03/45/558980345.db2.gz AAUZKXVFMNINJH-UHFFFAOYSA-N 0 3 418.904 3.532 50 0 HHAAHN COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CC[NH+](C)CC3)cc2)cc1Cl ZINC000067614196 558989409 /nfs/dbraw/zinc/98/94/09/558989409.db2.gz YEPCAZDQNOWOBS-UHFFFAOYSA-N 0 3 410.923 3.622 50 0 HHAAHN Cc1c2cc(CNC(=O)C3CCN(CCO)CC3)ccc2[nH]c1-c1ccccc1F ZINC000077320290 559001216 /nfs/dbraw/zinc/00/12/16/559001216.db2.gz IKFPTTBRMRAKBV-UHFFFAOYSA-N 0 3 409.505 3.603 50 0 HHAAHN N[C@H](C(=O)Nc1nn(Cc2ccccc2)c2cccc(Oc3cccnc3)c21)C1CC1 ZINC000077471212 559006536 /nfs/dbraw/zinc/00/65/36/559006536.db2.gz OQKXPQQYEYXQKT-QFIPXVFZSA-N 0 3 413.481 3.948 50 0 HHAAHN COc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000023127656 559016012 /nfs/dbraw/zinc/01/60/12/559016012.db2.gz WGHZYNISCWFNFR-UHFFFAOYSA-N 0 3 408.951 3.539 50 0 HHAAHN CC(C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000004778507 559061294 /nfs/dbraw/zinc/06/12/94/559061294.db2.gz OQBUQQIWONWVCA-POOLCLQXSA-N 0 3 413.606 3.734 50 0 HHAAHN Cc1cnc(CN2CC3(CCC2=O)CCN(c2ccnc4ccccc42)CC3)cn1 ZINC000095378847 559080531 /nfs/dbraw/zinc/08/05/31/559080531.db2.gz KOVHTIKMDIJZMU-UHFFFAOYSA-N 0 3 401.514 3.742 50 0 HHAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CNC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000023866322 559181408 /nfs/dbraw/zinc/18/14/08/559181408.db2.gz APWQTIOMIMSNBC-HSZRJFAPSA-N 0 3 408.521 3.619 50 0 HHAAHN O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(Cc2ccc(O)cc2)CC1 ZINC000011840655 559261500 /nfs/dbraw/zinc/26/15/00/559261500.db2.gz POUXWPUAXQXAOM-UHFFFAOYSA-N 0 3 420.513 3.833 50 0 HHAAHN COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1ccccc1 ZINC000143607412 560542857 /nfs/dbraw/zinc/54/28/57/560542857.db2.gz DVRPZJPCGJGFTH-BHDDXSALSA-N 0 3 418.424 3.885 50 0 HHAAHN CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000006358463 560559013 /nfs/dbraw/zinc/55/90/13/560559013.db2.gz ALCGUZLBKILMTQ-YUXAGFNASA-N 0 3 411.546 3.747 50 0 HHAAHN O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000018067325 560774551 /nfs/dbraw/zinc/77/45/51/560774551.db2.gz LRKJNSYVFCUHII-HSALFYBXSA-N 0 3 405.841 3.786 50 0 HHAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000018067325 560774552 /nfs/dbraw/zinc/77/45/52/560774552.db2.gz LRKJNSYVFCUHII-HSALFYBXSA-N 0 3 405.841 3.786 50 0 HHAAHN CCC[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)C2ON1c1ccccc1 ZINC000018192395 560782002 /nfs/dbraw/zinc/78/20/02/560782002.db2.gz QHTHISMPQZWDSL-SQNIBIBYSA-N 0 3 415.287 3.928 50 0 HHAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)c1 ZINC000102708793 560820815 /nfs/dbraw/zinc/82/08/15/560820815.db2.gz QFVMNMQOBFOZIG-BHIFYINESA-N 0 3 400.434 3.752 50 0 HHAAHN O=C(NC[C@H]1CCN(c2ccccc2)C1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000106576145 560892513 /nfs/dbraw/zinc/89/25/13/560892513.db2.gz FJNSNQCJKHTLOS-XZOQPEGZSA-N 0 3 406.574 3.724 50 0 HHAAHN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)NCCN1CCC(C)CC1 ZINC000048287215 568434572 /nfs/dbraw/zinc/43/45/72/568434572.db2.gz SNIVGGFGVCDKAO-UHFFFAOYSA-N 0 3 422.495 3.899 50 0 HHAAHN CCc1ccccc1NC(=O)CN1CCN(c2cc(C)nc3ccc(OC)cc32)CC1 ZINC000048302685 568437782 /nfs/dbraw/zinc/43/77/82/568437782.db2.gz BHBRKKSLLWJIPO-UHFFFAOYSA-N 0 3 418.541 3.875 50 0 HHAAHN CCN1CCN(Cc2ccc(CNC(=O)CCOc3c(C)cccc3C)cc2)CC1 ZINC000048302981 568437790 /nfs/dbraw/zinc/43/77/90/568437790.db2.gz ZNABXAMUYAMLQY-UHFFFAOYSA-N 0 3 409.574 3.526 50 0 HHAAHN COC(=O)CCN(CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)CC(C)C ZINC000048368993 568442245 /nfs/dbraw/zinc/44/22/45/568442245.db2.gz LQYFWCZZOMGVIX-QFIPXVFZSA-N 0 3 402.560 3.783 50 0 HHAAHN CCN(CC)CCN(C(=O)c1cc(C)n(C)n1)c1nc2c(s1)c(C)ccc2OC ZINC000012286725 568458714 /nfs/dbraw/zinc/45/87/14/568458714.db2.gz AOFMTRXQXMFYON-UHFFFAOYSA-N 0 3 415.563 3.644 50 0 HHAAHN COc1cc(-c2noc(CN(C(C)C)[C@H]3CCCC[C@@H]3O)n2)ccc1OC(F)F ZINC000095435058 568609585 /nfs/dbraw/zinc/60/95/85/568609585.db2.gz MFWWLKNNZOSBRR-GJZGRUSLSA-N 0 3 411.449 3.861 50 0 HHAAHN C[C@@H]1C[C@@H](C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)CCC1=O ZINC000095447031 568612246 /nfs/dbraw/zinc/61/22/46/568612246.db2.gz QMIZSJPTEGBPQM-CTNGQTDRSA-N 0 3 405.542 3.953 50 0 HHAAHN O=C(Nc1cnn(CCN2CCCCC2)c1)c1cnc(Cc2ccc(F)cc2)s1 ZINC000095459045 568619271 /nfs/dbraw/zinc/61/92/71/568619271.db2.gz CDBMKGWVUHATAH-UHFFFAOYSA-N 0 3 413.522 3.808 50 0 HHAAHN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC2=CCN(C)CC2)c1 ZINC000095463312 568621910 /nfs/dbraw/zinc/62/19/10/568621910.db2.gz RQTWBDIXNLJTFS-UHFFFAOYSA-N 0 3 416.525 3.599 50 0 HHAAHN O=C(COc1cc(Cl)ccc1Cl)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000096007052 568683122 /nfs/dbraw/zinc/68/31/22/568683122.db2.gz MMESWLLOFKUMNC-GOSISDBHSA-N 0 3 423.340 3.645 50 0 HHAAHN O=C(COc1cc(Cl)ccc1Cl)NCc1ccccc1CN1CCC[C@H]1CO ZINC000096007053 568683143 /nfs/dbraw/zinc/68/31/43/568683143.db2.gz MMESWLLOFKUMNC-SFHVURJKSA-N 0 3 423.340 3.645 50 0 HHAAHN Cc1cc(OC(F)F)c(C(=O)NCc2ccccc2CN2CCC[C@H]2CO)s1 ZINC000096007067 568683260 /nfs/dbraw/zinc/68/32/60/568683260.db2.gz YCNPXCWMMGCTHT-INIZCTEOSA-N 0 3 410.486 3.545 50 0 HHAAHN O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1cccnc1 ZINC000229982895 568716361 /nfs/dbraw/zinc/71/63/61/568716361.db2.gz TVDUNKYDUZOHKX-XUVXKRRUSA-N 0 3 405.841 3.786 50 0 HHAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccnc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000229982895 568716363 /nfs/dbraw/zinc/71/63/63/568716363.db2.gz TVDUNKYDUZOHKX-XUVXKRRUSA-N 0 3 405.841 3.786 50 0 HHAAHN COc1ccc(C2(CNC(=O)[C@H]3CCCCN3C3CCCC3)CCOCC2)cc1 ZINC000239359538 568729025 /nfs/dbraw/zinc/72/90/25/568729025.db2.gz AEPYNSXQVWGSTG-JOCHJYFZSA-N 0 3 400.563 3.657 50 0 HHAAHN COc1ccc(C(=O)NN=c2cc(C)[nH]c3c(C)cc(Br)c(N)c32)cc1 ZINC000000985359 568760533 /nfs/dbraw/zinc/76/05/33/568760533.db2.gz ZJJGTPLYZACGQV-UHFFFAOYSA-N 0 3 415.291 3.962 50 0 HHAAHN CCN1CCN(c2ccc(N[C@H](C)C(=O)NCc3ccccc3Cl)c(C)c2)CC1 ZINC000056170311 568790644 /nfs/dbraw/zinc/79/06/44/568790644.db2.gz YZIHIBRWGAWBPE-GOSISDBHSA-N 0 3 414.981 3.907 50 0 HHAAHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C1=O ZINC000230003945 568801311 /nfs/dbraw/zinc/80/13/11/568801311.db2.gz ABBALDGNDSAVGV-BHDDXSALSA-N 0 3 400.434 3.746 50 0 HHAAHN COc1ccccc1CCN1CCC(CN(C)C(=O)[C@H]2CC(=O)c3ccccc32)CC1 ZINC000012595752 568868736 /nfs/dbraw/zinc/86/87/36/568868736.db2.gz HKRKLXLQIXIKMI-QHCPKHFHSA-N 0 3 420.553 3.778 50 0 HHAAHN CC(C)Cn1cnc2sc3c(c2c1=O)CC[C@H](N1CCN(C2CCCC2)CC1)C3 ZINC000299765803 568873791 /nfs/dbraw/zinc/87/37/91/568873791.db2.gz BNHHESRVPQEFHM-SFHVURJKSA-N 0 3 414.619 3.532 50 0 HHAAHN O=C1CC[C@H](CCNCc2cc3c(cc2Cl)OCO3)N1Cc1ccc(F)cc1 ZINC000299773979 568874583 /nfs/dbraw/zinc/87/45/83/568874583.db2.gz HCHXKLXRIKABNK-QGZVFWFLSA-N 0 3 404.869 3.879 50 0 HHAAHN COc1ccc2oc(=O)c(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)cc2c1 ZINC000004078613 568882748 /nfs/dbraw/zinc/88/27/48/568882748.db2.gz LUFHVMBVMNNMBW-UHFFFAOYSA-N 0 3 422.525 3.528 50 0 HHAAHN COc1ccccc1-n1cc(CN2CCN([C@@H]3CCc4ccccc4C3)CC2)cn1 ZINC000670460698 568950275 /nfs/dbraw/zinc/95/02/75/568950275.db2.gz TVHJZWRCOCQUOJ-HSZRJFAPSA-N 0 3 402.542 3.556 50 0 HHAAHN Cc1ccc(CN2CCN(C3CCN(c4ccc5c(c4)CCC5)CC3)C[C@H]2CCO)o1 ZINC000104638448 569008015 /nfs/dbraw/zinc/00/80/15/569008015.db2.gz NEFRKAQYPPHMLQ-RUZDIDTESA-N 0 3 423.601 3.614 50 0 HHAAHN CCN(CC)[C@H](CNC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)c1ccccc1 ZINC000012909312 569021733 /nfs/dbraw/zinc/02/17/33/569021733.db2.gz DLLVEQIGWMAEJW-JOCHJYFZSA-N 0 3 418.541 3.871 50 0 HHAAHN Cc1ccc(NC(=O)CN(CC(C)C)C2CC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000012997319 569048382 /nfs/dbraw/zinc/04/83/82/569048382.db2.gz VZGWRRKHCVNTSO-UHFFFAOYSA-N 0 3 421.607 3.619 50 0 HHAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 ZINC000001926044 569059711 /nfs/dbraw/zinc/05/97/11/569059711.db2.gz NZFJJSOGELYCMB-UHFFFAOYSA-N 0 3 408.454 3.544 50 0 HHAAHN COc1cccc([C@@H](CNC(=O)Cc2ccc(Br)cc2)N2CCCC2)c1 ZINC000036074970 569086963 /nfs/dbraw/zinc/08/69/63/569086963.db2.gz WPJYLWNEIXSDIT-HXUWFJFHSA-N 0 3 417.347 3.954 50 0 HHAAHN CSc1ccc(CNC(=O)c2ccnc(N3CCN[C@@H](c4ccccc4)C3)c2)cc1 ZINC000065256035 569208295 /nfs/dbraw/zinc/20/82/95/569208295.db2.gz ARZSRPLGWXYXTH-JOCHJYFZSA-N 0 3 418.566 3.884 50 0 HHAAHN CC[C@@H](C)[C@@H](C(=O)Nc1ccc(OCCN(C)C)cc1)N1Cc2ccccc2C1=O ZINC000524733995 569214061 /nfs/dbraw/zinc/21/40/61/569214061.db2.gz KZCPABYIXPBIRS-VGSWGCGISA-N 0 3 409.530 3.636 50 0 HHAAHN Cc1ccc(-c2nc3cnccn3c2Nc2ccc(C(=O)NCCN(C)C)cc2)cc1 ZINC000065322567 569224734 /nfs/dbraw/zinc/22/47/34/569224734.db2.gz UIQZWTSDGBCBBQ-UHFFFAOYSA-N 0 3 414.513 3.740 50 0 HHAAHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000170597464 569242110 /nfs/dbraw/zinc/24/21/10/569242110.db2.gz KIDNJHVEOHEFJF-OAQYLSRUSA-N 0 3 417.594 3.906 50 0 HHAAHN CC(C)S(=O)(=O)C(C)C(=O)NC1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000089890954 569267859 /nfs/dbraw/zinc/26/78/59/569267859.db2.gz MHVOLHMDYSKSBE-OAHLLOKOSA-N 0 3 411.568 3.605 50 0 HHAAHN O=C(CNC[C@@H](CO)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000002187354 569293635 /nfs/dbraw/zinc/29/36/35/569293635.db2.gz QYNTUXMTCRQYTP-IBGZPJMESA-N 0 3 422.912 3.875 50 0 HHAAHN O=C(NCc1ccccc1CN1CCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000007696806 569301152 /nfs/dbraw/zinc/30/11/52/569301152.db2.gz OUUJROKPJWBLFR-UHFFFAOYSA-N 0 3 422.497 3.599 50 0 HHAAHN Cc1cc(C)c(N2CC[C@H](N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C)C2=O)c(C)c1 ZINC000253429210 569368782 /nfs/dbraw/zinc/36/87/82/569368782.db2.gz MKESYZTUMLPMOO-AABGKKOBSA-N 0 3 415.578 3.952 50 0 HHAAHN c1[nH]nc(-c2ccc3c(c2)OCCO3)c1CNCCNc1ccc2ccccc2n1 ZINC000079061177 569426249 /nfs/dbraw/zinc/42/62/49/569426249.db2.gz SOWSRPSSDVALHK-UHFFFAOYSA-N 0 3 401.470 3.598 50 0 HHAAHN Cn1c(CN2CCCCC2)cc(=O)c(O)c1CN1CCC(Cc2ccccc2)CC1 ZINC000079488804 569432391 /nfs/dbraw/zinc/43/23/91/569432391.db2.gz BNGYEHVNPWMCIE-UHFFFAOYSA-N 0 3 409.574 3.532 50 0 HHAAHN O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@@H]2c1cccnc1 ZINC000238937246 571046630 /nfs/dbraw/zinc/04/66/30/571046630.db2.gz URMJABIZXOISIF-VAMGGRTRSA-N 0 3 405.841 3.786 50 0 HHAAHN O=C1C2ON(c3ccc(Cl)cc3)[C@H](c3cccnc3)[C@H]2C(=O)N1c1ccccc1 ZINC000238937246 571046632 /nfs/dbraw/zinc/04/66/32/571046632.db2.gz URMJABIZXOISIF-VAMGGRTRSA-N 0 3 405.841 3.786 50 0 HHAAHN CCOc1ccc(NC(=O)c2ccc(N3CCN[C@H](c4ccccc4)C3)nc2)cc1 ZINC000039229425 571121928 /nfs/dbraw/zinc/12/19/28/571121928.db2.gz JQRAULGZQNYDBS-QFIPXVFZSA-N 0 3 402.498 3.884 50 0 HHAAHN COC(=O)c1cccc(NC(=O)NCc2c3c(sc2-n2cccc2)CN(C)CC3)c1 ZINC000008912270 571148361 /nfs/dbraw/zinc/14/83/61/571148361.db2.gz JTPWKXNRCOADNT-UHFFFAOYSA-N 0 3 424.526 3.635 50 0 HHAAHN O=C(C1[C@H](c2ccc(Cl)cc2)NC(=S)N[C@]1(O)c1cccs1)C(F)(F)F ZINC000009090304 571220415 /nfs/dbraw/zinc/22/04/15/571220415.db2.gz URVYXSNHCSJDJP-HUBLWGQQSA-N 0 3 420.865 3.513 50 0 HHAAHN O=c1c2ccc(Cl)cc2nc(SCCN2CCCCC2)n1C[C@H]1CCCO1 ZINC000009112574 571223336 /nfs/dbraw/zinc/22/33/36/571223336.db2.gz FMVBPTWULSHUIC-MRXNPFEDSA-N 0 3 407.967 3.807 50 0 HHAAHN CN(C)CCNC(=O)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000010312721 571300160 /nfs/dbraw/zinc/30/01/60/571300160.db2.gz SAKSBODNNJFFLX-UHFFFAOYSA-N 0 3 401.510 3.749 50 0 HHAAHN COc1cccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)N2CCCC2)c1 ZINC000010334097 571300728 /nfs/dbraw/zinc/30/07/28/571300728.db2.gz ZTWZUOZSSNROPC-QHCPKHFHSA-N 0 3 417.509 3.740 50 0 HHAAHN COc1ccc(C(=O)Nc2nc3ccccc3n2CCN2CCCCC2)cc1OC ZINC000028305476 571308963 /nfs/dbraw/zinc/30/89/63/571308963.db2.gz ROVBIDMRFQTKST-UHFFFAOYSA-N 0 3 408.502 3.792 50 0 HHAAHN COc1cc2c(cc1OC)[C@H]1C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN1CC2 ZINC000043195697 571317695 /nfs/dbraw/zinc/31/76/95/571317695.db2.gz GEJDGVNQKABXKG-CFKGEZKQSA-N 0 3 418.578 3.564 50 0 fda HHAAHN C[C@@H]1CCCCN1Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1 ZINC000011782500 962188633 /nfs/dbraw/zinc/18/86/33/962188633.db2.gz MHRNBTIABQHAHA-CQSZACIVSA-N 0 3 407.436 3.698 50 0 HHAAHN Cc1c(CN2CCC3(C[C@@H]3C(=O)NCc3ccccc3C(F)(F)F)CC2)cnn1C ZINC000011782745 962188864 /nfs/dbraw/zinc/18/88/64/962188864.db2.gz WCPDWJYMPRBBQM-LJQANCHMSA-N 0 3 420.479 3.666 50 0 HHAAHN Cc1ccc2[nH]c(C(=O)NC[C@@H]3CCC4(CCN(Cc5ccncc5)CC4)O3)cc2c1 ZINC000011783004 962189076 /nfs/dbraw/zinc/18/90/76/962189076.db2.gz UONHVQOMXXTMQT-NRFANRHFSA-N 0 3 418.541 3.815 50 0 HHAAHN CC(=O)Nc1ccc(CN2CCC(=O)N(Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000012164943 962247963 /nfs/dbraw/zinc/24/79/63/962247963.db2.gz ZTVQGFGSABBCQB-UHFFFAOYSA-N 0 3 419.447 3.898 50 0 HHAAHN CC(=O)c1cc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccc(C(C)C)cc2)C3)[nH]n1 ZINC000012301437 962266528 /nfs/dbraw/zinc/26/65/28/962266528.db2.gz VNAZKOHMCWKZRU-DEOSSOPVSA-N 0 3 408.546 3.864 50 0 HHAAHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4[nH]c(C)cc4C)C3)C2)c1OC ZINC000012589663 962297910 /nfs/dbraw/zinc/29/79/10/962297910.db2.gz FIUMEAGAWGOHFK-XMMPIXPASA-N 0 3 411.546 3.777 50 0 HHAAHN CN(Cc1cccc(OCCNC(=O)[C@H]2CCCO2)c1)Cc1cccc2cccnc21 ZINC000014881800 962597556 /nfs/dbraw/zinc/59/75/56/962597556.db2.gz OZPUPBKGYLBNHY-HSZRJFAPSA-N 0 3 419.525 3.541 50 0 HHAAHN Cc1c(CN2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cnn1C ZINC000023366590 963808943 /nfs/dbraw/zinc/80/89/43/963808943.db2.gz WBKHUELPAQTKBF-OAQYLSRUSA-N 0 3 421.511 3.534 50 0 HHAAHN CCOCc1cc(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)ccc1OC ZINC000039515802 966496288 /nfs/dbraw/zinc/49/62/88/966496288.db2.gz NZYMIKFQMFWQBR-XMMPIXPASA-N 0 3 412.574 3.609 50 0 HHAAHN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ccncc3)C2=O)cc1 ZINC000105321980 969230783 /nfs/dbraw/zinc/23/07/83/969230783.db2.gz VUJRNZDUBCKTEC-RCCKNPSSSA-N 0 3 413.433 3.898 50 0 HHAAHN Cc1nnc([C@@H]2CC3(CN2C(=O)c2ccccc2)CCN(Cc2cccnc2)CC3)o1 ZINC000257184513 970621091 /nfs/dbraw/zinc/62/10/91/970621091.db2.gz IOXRDQXWVYRANZ-NRFANRHFSA-N 0 3 417.513 3.643 50 0 HHAAHN c1cnc2c(c1)nc([C@@H]1CCCO1)n2C1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000299756857 970721259 /nfs/dbraw/zinc/72/12/59/970721259.db2.gz GNRJWCZRYKQIKF-NRFANRHFSA-N 0 3 420.513 3.891 50 0 HHAAHN Cc1nn(C)c(C)c1CN(C(=O)CCN1Cc2cc(C)ccc2O[C@H](C)C1)C(C)C ZINC000299773708 970721880 /nfs/dbraw/zinc/72/18/80/970721880.db2.gz DJUPVHHIECPROS-GOSISDBHSA-N 0 3 412.578 3.756 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)C[C@@H]3c4ccccc4C=CN3C(C)=O)cc2)CC1 ZINC000012557710 132363832 /nfs/dbraw/zinc/36/38/32/132363832.db2.gz CVIHPOGIGGHCPE-XMMPIXPASA-N 0 3 418.541 3.731 50 0 HHAAHN COc1cc(CN2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc(OC)c1 ZINC000020543190 522371530 /nfs/dbraw/zinc/37/15/30/522371530.db2.gz YEAZZPVEQHREAZ-JOCHJYFZSA-N 0 3 413.537 3.630 50 0 HHAAHN COc1ccc(C(=O)N(C)C[C@H]2CCCCO2)cc1OC1CCN(C(C)C)CC1 ZINC000020601362 523602356 /nfs/dbraw/zinc/60/23/56/523602356.db2.gz FRQBEIIIKFSJOM-HXUWFJFHSA-N 0 3 404.551 3.588 50 0 HHAAHN COc1ccc(CCNC(=O)N[C@H](C)[C@H](c2ccccc2)N2CCCC2)cc1OC ZINC000032754959 523964305 /nfs/dbraw/zinc/96/43/05/523964305.db2.gz NQASDOHJALQZOZ-WZONZLPQSA-N 0 3 411.546 3.771 50 0 HHAAHN Cc1cccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c1 ZINC000020599110 524406313 /nfs/dbraw/zinc/40/63/13/524406313.db2.gz OFRZCWUFJFPXLL-FQEVSTJZSA-N 0 3 421.545 3.755 50 0 HHAAHN COc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000002703961 557369017 /nfs/dbraw/zinc/36/90/17/557369017.db2.gz SHOZPGXGSUJDIG-JOCHJYFZSA-N 0 3 420.509 3.915 50 0 HHAAHN Cc1ccc(-c2cc(C(=O)NCCN(C)C)c3cc(Br)ccc3n2)o1 ZINC000002867521 557412794 /nfs/dbraw/zinc/41/27/94/557412794.db2.gz BQEBHEOXUBHTAD-UHFFFAOYSA-N 0 3 402.292 3.857 50 0 HHAAHN CCc1ccc([C@H](CNC(=O)CCc2nc(-c3ccc(C)cc3)no2)N(C)C)cc1 ZINC000022684242 557766842 /nfs/dbraw/zinc/76/68/42/557766842.db2.gz FLEJKNYKLONWHG-NRFANRHFSA-N 0 3 406.530 3.959 50 0 HHAAHN Cc1cc(O)c([C@H](c2ccncc2)N2CCC(C)CC2)c(=O)n1Cc1cccnc1 ZINC000022698123 557781870 /nfs/dbraw/zinc/78/18/70/557781870.db2.gz CBGYRBKDKKUAFX-QHCPKHFHSA-N 0 3 404.514 3.522 50 0 HHAAHN CCCN1CCN(CCCNC(=O)c2ccc3nc(Cc4ccccc4)oc3c2)CC1 ZINC000022795531 557822791 /nfs/dbraw/zinc/82/27/91/557822791.db2.gz KBRLPHMGROAREH-UHFFFAOYSA-N 0 3 420.557 3.566 50 0 HHAAHN O=C(COCc1cc(-c2ccc(F)cc2)on1)NC1CCN(Cc2ccccc2)CC1 ZINC000009436262 557843248 /nfs/dbraw/zinc/84/32/48/557843248.db2.gz KDLGTDCXVBONCU-UHFFFAOYSA-N 0 3 423.488 3.778 50 0 HHAAHN CCOC(=O)N1CCC(N2CCC[C@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)CC1 ZINC000011662982 558266736 /nfs/dbraw/zinc/26/67/36/558266736.db2.gz IUUBWZAPFHIWSH-SFHVURJKSA-N 0 3 402.535 3.828 50 0 HHAAHN O=C(NC[C@@H]1CCC2(CCN(Cc3ccc4cccnc4c3)CC2)O1)c1ccco1 ZINC000011785543 558275886 /nfs/dbraw/zinc/27/58/86/558275886.db2.gz FBJOABQZRNRNDE-FQEVSTJZSA-N 0 3 405.498 3.771 50 0 HHAAHN O=C(C1CCN(C2CCN(c3nc4ccccc4o3)CC2)CC1)N1CCCCCC1 ZINC000011817768 558280979 /nfs/dbraw/zinc/28/09/79/558280979.db2.gz JKADMNDPJLKNDC-UHFFFAOYSA-N 0 3 410.562 3.911 50 0 HHAAHN COc1ccc(CN2CCN(C3CCN(c4ccccc4)CC3)C[C@@H]2CCO)cc1C ZINC000019782094 558281417 /nfs/dbraw/zinc/28/14/17/558281417.db2.gz FTDSCZSTHXZZAY-VWLOTQADSA-N 0 3 423.601 3.541 50 0 HHAAHN COC(=O)c1ccc(CN2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cc1 ZINC000011874581 558292270 /nfs/dbraw/zinc/29/22/70/558292270.db2.gz XJRHAHBVEHAJEV-HXUWFJFHSA-N 0 3 418.497 3.510 50 0 HHAAHN COc1cc(CN2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)ccc1F ZINC000019841068 558294078 /nfs/dbraw/zinc/29/40/78/558294078.db2.gz KFUBOLGRZBKLLL-OAQYLSRUSA-N 0 3 401.501 3.760 50 0 HHAAHN Cc1ccc(CN2CCN(C3CCN(c4ccc5c(c4)CCC5)CC3)C[C@@H]2CCO)o1 ZINC000019852277 558295770 /nfs/dbraw/zinc/29/57/70/558295770.db2.gz NEFRKAQYPPHMLQ-VWLOTQADSA-N 0 3 423.601 3.614 50 0 HHAAHN COc1ccc(-c2ccc(CNCCc3ccc(S(N)(=O)=O)cc3)o2)cc1Cl ZINC000019872508 558299837 /nfs/dbraw/zinc/29/98/37/558299837.db2.gz NNDFDKNKNIRXSR-UHFFFAOYSA-N 0 3 420.918 3.588 50 0 HHAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccc(F)cc1 ZINC000011952608 558303059 /nfs/dbraw/zinc/30/30/59/558303059.db2.gz GWBJUOKDXOHPCE-IBGZPJMESA-N 0 3 415.528 3.881 50 0 HHAAHN CN1CCC(CN(CCc2ccccc2)C(=O)c2cc(=O)c3ccccc3o2)CC1 ZINC000012029756 558311038 /nfs/dbraw/zinc/31/10/38/558311038.db2.gz HLWZIVKOZWUCSC-UHFFFAOYSA-N 0 3 404.510 3.820 50 0 HHAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1cccs1 ZINC000012058426 558316820 /nfs/dbraw/zinc/31/68/20/558316820.db2.gz XDBDLABDMNGQND-SFHVURJKSA-N 0 3 403.567 3.803 50 0 HHAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)Cc1c(C)noc1C ZINC000012076039 558319834 /nfs/dbraw/zinc/31/98/34/558319834.db2.gz IXJIVEYAOTYGTM-NRFANRHFSA-N 0 3 413.562 3.646 50 0 HHAAHN COC(=O)c1ccc(CN2CCC[C@H](CCC(=O)NCc3cccc(OC)c3)C2)cc1 ZINC000012297451 558367624 /nfs/dbraw/zinc/36/76/24/558367624.db2.gz UOIGHMYZAOUXQP-LJQANCHMSA-N 0 3 424.541 3.790 50 0 HHAAHN CN(Cc1cn(C)nc1-c1ccc2c(c1)OCCO2)Cc1cccc(-n2cccn2)c1 ZINC000012300142 558370087 /nfs/dbraw/zinc/37/00/87/558370087.db2.gz RHPRYEHQKPBRFP-UHFFFAOYSA-N 0 3 415.497 3.676 50 0 HHAAHN CN(C)c1ccc(CCC(=O)N(C)[C@@H]2CCCN(C3Cc4ccccc4C3)C2)cc1 ZINC000012436159 558409109 /nfs/dbraw/zinc/40/91/09/558409109.db2.gz XWDAYJWUUIIOHO-XMMPIXPASA-N 0 3 405.586 3.775 50 0 HHAAHN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)[C@H]2CCCCCN2C)CC1 ZINC000012458936 558418513 /nfs/dbraw/zinc/41/85/13/558418513.db2.gz UUHZMHSFRCELPX-HXUWFJFHSA-N 0 3 420.981 3.929 50 0 HHAAHN CCc1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000020998000 558427566 /nfs/dbraw/zinc/42/75/66/558427566.db2.gz KHIDEZSFUASJQW-QFIPXVFZSA-N 0 3 421.545 3.619 50 0 HHAAHN Cc1cc(C)n(-c2cccc(CN3CCC[C@@H](CNC(=O)c4cccnc4)C3)c2)n1 ZINC000012573395 558429977 /nfs/dbraw/zinc/42/99/77/558429977.db2.gz FXSJAHHAYWKJFM-NRFANRHFSA-N 0 3 403.530 3.526 50 0 HHAAHN COc1ccccc1CCN1CCC(CN(C)C(=O)c2ccnc(Cl)c2)CC1 ZINC000012585022 558433944 /nfs/dbraw/zinc/43/39/44/558433944.db2.gz UNKKMWRFDDGCAN-UHFFFAOYSA-N 0 3 401.938 3.770 50 0 HHAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)n1 ZINC000021795196 558449273 /nfs/dbraw/zinc/44/92/73/558449273.db2.gz MVSYKVGHHLOOOC-UHFFFAOYSA-N 0 3 414.941 3.783 50 0 HHAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)[C@H]1CC(=O)c2ccccc21 ZINC000012706877 558450332 /nfs/dbraw/zinc/45/03/32/558450332.db2.gz GLQKNOKMSUCPSS-QHCPKHFHSA-N 0 3 408.517 3.909 50 0 HHAAHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000022184496 558465384 /nfs/dbraw/zinc/46/53/84/558465384.db2.gz UGIGIGYLSFLGDV-QVKFZJNVSA-N 0 3 421.522 3.868 50 0 HHAAHN O=C(CN[C@H](c1cccs1)c1ccc(F)cc1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000012802750 558472311 /nfs/dbraw/zinc/47/23/11/558472311.db2.gz VRXMMHHXBXJTRR-URXFXBBRSA-N 0 3 423.557 3.957 50 0 HHAAHN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000012818020 558476065 /nfs/dbraw/zinc/47/60/65/558476065.db2.gz BJUVPTZYNUAMOV-FCHUYYIVSA-N 0 3 411.521 3.533 50 0 HHAAHN CCc1ccc([C@@H](CNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)N(C)C)cc1 ZINC000022684588 558504416 /nfs/dbraw/zinc/50/44/16/558504416.db2.gz MUZLDWTVOFBNHH-LJQANCHMSA-N 0 3 402.922 3.635 50 0 HHAAHN O=C(NCc1ccccc1)c1cccc(OC2CCN(CCCn3cccn3)CC2)c1 ZINC000023379880 558555211 /nfs/dbraw/zinc/55/52/11/558555211.db2.gz PSDSNMARMOLJOV-UHFFFAOYSA-N 0 3 418.541 3.747 50 0 HHAAHN CCN1CCC2(CC1)OCCN2C(=O)c1oc2ccc(Br)cc2c1C ZINC000013720985 558581908 /nfs/dbraw/zinc/58/19/08/558581908.db2.gz TZJIWGUPCGIGST-UHFFFAOYSA-N 0 3 407.308 3.788 50 0 HHAAHN COc1ccc2c(CC(=O)NC[C@H](c3cccc(OC)c3)N3CCCC3)coc2c1 ZINC000013987763 558610778 /nfs/dbraw/zinc/61/07/78/558610778.db2.gz JVVXDKRAZISNGS-JOCHJYFZSA-N 0 3 408.498 3.946 50 0 HHAAHN CN(C)[C@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)Cc1ccccc1 ZINC000014196912 558633837 /nfs/dbraw/zinc/63/38/37/558633837.db2.gz XYDARHBNHXYYNL-FQEVSTJZSA-N 0 3 407.539 3.903 50 0 HHAAHN CN(C)[C@H](CNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000025419362 558640431 /nfs/dbraw/zinc/64/04/31/558640431.db2.gz CTEURORNABHDFN-DNQXCXABSA-N 0 3 415.537 3.967 50 0 HHAAHN COc1ccc(COC[C@@H](O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000014238438 558642684 /nfs/dbraw/zinc/64/26/84/558642684.db2.gz OALJIVLWVZBTOD-RBBKRZOGSA-N 0 3 413.514 3.571 50 0 HHAAHN CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1cc3ccccc3o1)CC2 ZINC000014539676 558659479 /nfs/dbraw/zinc/65/94/79/558659479.db2.gz CPUAHXSXKHOEHF-UHFFFAOYSA-N 0 3 418.497 3.647 50 0 HHAAHN COc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCC2)cc(OC)c1OC ZINC000027664541 558679625 /nfs/dbraw/zinc/67/96/25/558679625.db2.gz QATKODMGOIIRMB-FQEVSTJZSA-N 0 3 412.530 3.978 50 0 HHAAHN Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)s1 ZINC000014958074 558682843 /nfs/dbraw/zinc/68/28/43/558682843.db2.gz ZCSIBTOEAUYAHZ-GOSISDBHSA-N 0 3 423.586 3.516 50 0 HHAAHN Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)s1 ZINC000014958079 558682892 /nfs/dbraw/zinc/68/28/92/558682892.db2.gz ZCSIBTOEAUYAHZ-SFHVURJKSA-N 0 3 423.586 3.516 50 0 HHAAHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)CCC(F)(F)F)C3)C2)c1OC ZINC000014980164 558690893 /nfs/dbraw/zinc/69/08/93/558690893.db2.gz FTUICHASAHRRDU-HXUWFJFHSA-N 0 3 414.468 3.861 50 0 HHAAHN CC(C)=CCC[C@H](C)CN1CCc2nnc(CNC(=O)c3cc(C)oc3C)n2CC1 ZINC000014980538 558691181 /nfs/dbraw/zinc/69/11/81/558691181.db2.gz AZWYUZJTAYIZQH-KRWDZBQOSA-N 0 3 413.566 3.659 50 0 HHAAHN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCCCN2CCN(Cc3ccccc3)CC2)o1 ZINC000072277369 558703210 /nfs/dbraw/zinc/70/32/10/558703210.db2.gz LPDKOVIRMUYWOW-OFNKIYASSA-N 0 3 409.574 3.660 50 0 HHAAHN COC(=O)c1ccc(CN2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)cc1 ZINC000015070081 558712109 /nfs/dbraw/zinc/71/21/09/558712109.db2.gz XCCDXSTZBRJOOQ-SFHVURJKSA-N 0 3 412.505 3.921 50 0 HHAAHN CNC(=O)c1ccc(CN(C)C[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC000030533808 558731948 /nfs/dbraw/zinc/73/19/48/558731948.db2.gz RJOWXLVZXLTTLB-HXUWFJFHSA-N 0 3 401.510 3.647 50 0 HHAAHN O=C(C1CCCC1)N1CCC2(CC1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000065265663 558734320 /nfs/dbraw/zinc/73/43/20/558734320.db2.gz HDYJODGNVGAFOJ-UHFFFAOYSA-N 0 3 403.530 3.878 50 0 HHAAHN Cc1ccc(NC(=O)CC2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)c(C)c1 ZINC000030937534 558744883 /nfs/dbraw/zinc/74/48/83/558744883.db2.gz DFPLCWIPPRNNPV-LAUBAEHRSA-N 0 3 418.497 3.749 50 0 HHAAHN O=C(c1ccc(SCCN2CCCCC2)nc1)N1CCN(Cc2ccccc2)CC1 ZINC000033115223 558761279 /nfs/dbraw/zinc/76/12/79/558761279.db2.gz VUSZYJYYZFVFQC-UHFFFAOYSA-N 0 3 424.614 3.618 50 0 HHAAHN COc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4cccc5ccccc54)C3=O)c2c1 ZINC000018088234 558830957 /nfs/dbraw/zinc/83/09/57/558830957.db2.gz KSAAKAHDLLHUOU-JOCHJYFZSA-N 0 3 413.477 3.794 50 0 HHAAHN COc1ccc(C(=O)[C@H]2CCCN(C3CCN(Cc4ccccn4)CC3)C2)c(OC)c1 ZINC000019112657 558841753 /nfs/dbraw/zinc/84/17/53/558841753.db2.gz FRYSEKCYGABFJU-IBGZPJMESA-N 0 3 423.557 3.658 50 0 HHAAHN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CN[C@H](C)Cc1cccnc1 ZINC000019228074 558853010 /nfs/dbraw/zinc/85/30/10/558853010.db2.gz VDPPSEUBFVOPON-LJQANCHMSA-N 0 3 405.546 3.775 50 0 HHAAHN O=C(c1ccc(OC2CCN(Cc3cccc4nonc43)CC2)cc1)N1CCCCC1 ZINC000055120330 558873270 /nfs/dbraw/zinc/87/32/70/558873270.db2.gz FMHZZRFMPUAPFJ-UHFFFAOYSA-N 0 3 420.513 3.892 50 0 HHAAHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1nnc(C2CC2)s1 ZINC000058183516 558910479 /nfs/dbraw/zinc/91/04/79/558910479.db2.gz BGOJPQNVEUMVGW-INIZCTEOSA-N 0 3 401.536 3.640 50 0 HHAAHN FC(F)(F)c1cccc(N2CCN([C@@H]3CCCN(CCc4ccccn4)C3)CC2)c1 ZINC000072144483 558929502 /nfs/dbraw/zinc/92/95/02/558929502.db2.gz ZHEUDDWSXSRLRF-JOCHJYFZSA-N 0 3 418.507 3.930 50 0 HHAAHN CS[C@@H](C)C(=O)Nc1nn(-c2cccc(F)c2)c2cccc(OCCN(C)C)c12 ZINC000077488859 559007215 /nfs/dbraw/zinc/00/72/15/559007215.db2.gz JPHXFZPCQYATSV-AWEZNQCLSA-N 0 3 416.522 3.795 50 0 HHAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000100722360 559138478 /nfs/dbraw/zinc/13/84/78/559138478.db2.gz AWYACEIVBOFBHB-YPAWHYETSA-N 0 3 418.424 3.885 50 0 HHAAHN CCN1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000005093985 559244439 /nfs/dbraw/zinc/24/44/39/559244439.db2.gz YJWOUFKMTVTPQM-LJQANCHMSA-N 0 3 421.497 3.779 50 0 HHAAHN CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000005156501 559258983 /nfs/dbraw/zinc/25/89/83/559258983.db2.gz MXEWBDBYFYJRFK-NRFANRHFSA-N 0 3 406.482 3.689 50 0 HHAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)c1 ZINC000102663090 560819418 /nfs/dbraw/zinc/81/94/18/560819418.db2.gz WTVQUSKAZVHUDT-BHIFYINESA-N 0 3 418.424 3.885 50 0 HHAAHN CS[C@@H]1CN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)C[C@@H]1N(C)C ZINC000107539578 560896602 /nfs/dbraw/zinc/89/66/02/560896602.db2.gz IKLPCNRHVPHPLB-DOTOQJQBSA-N 0 3 411.600 3.724 50 0 HHAAHN Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccc(N2CCCN(C)CC2)nc1 ZINC000048287500 568434720 /nfs/dbraw/zinc/43/47/20/568434720.db2.gz SZGMTVUSYFGAPD-UHFFFAOYSA-N 0 3 423.948 3.664 50 0 HHAAHN CCN(CC)[C@H](CNC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1ccsc1 ZINC000048311929 568437136 /nfs/dbraw/zinc/43/71/36/568437136.db2.gz KQWFCFCVAAEZMY-CXAGYDPISA-N 0 3 402.520 3.672 50 0 HHAAHN C[C@H](CCN1CCN(c2ccccc2)CC1)NC(=O)c1cc(Cl)c(Cl)n1C ZINC000048355535 568441485 /nfs/dbraw/zinc/44/14/85/568441485.db2.gz UHUFKZMCWXQSPP-OAHLLOKOSA-N 0 3 409.361 3.663 50 0 HHAAHN CCN(CC)[C@@H](CNC(=O)CCc1cc(OC)cc(OC)c1)c1cccc(OC)c1 ZINC000024836977 568470077 /nfs/dbraw/zinc/47/00/77/568470077.db2.gz TVOOGNIQTXJWQW-QHCPKHFHSA-N 0 3 414.546 3.844 50 0 HHAAHN COc1ccc(CCN(C)C(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1OC ZINC000000778815 568473830 /nfs/dbraw/zinc/47/38/30/568473830.db2.gz YVIMTINVLFFETI-UHFFFAOYSA-N 0 3 410.558 3.925 50 0 HHAAHN CC[C@@H](NCc1ccc(OCC(F)(F)F)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000095462596 568621485 /nfs/dbraw/zinc/62/14/85/568621485.db2.gz NAFHCNHEFIZAMI-QGZVFWFLSA-N 0 3 402.438 3.516 50 0 HHAAHN O=C(c1ccccc1)N1CCCCC(S(=O)(=O)c2ccc3ccccc3c2)C1=O ZINC000000948443 568754360 /nfs/dbraw/zinc/75/43/60/568754360.db2.gz FIMUHFBHAOIHPF-NRFANRHFSA-N 0 3 407.491 3.835 50 0 HHAAHN COc1cc(C(=O)N[C@H](C)[C@H](c2cccs2)N2CCCC2)cc(OC)c1OC ZINC000003261414 568869273 /nfs/dbraw/zinc/86/92/73/568869273.db2.gz VTHDVDAJZUUHBN-AUUYWEPGSA-N 0 3 404.532 3.729 50 0 HHAAHN C[C@H](CNC(=O)c1[nH]nc2c1CCCC2)Oc1cccc(CN(C)Cc2ccoc2)c1 ZINC000299774291 568874615 /nfs/dbraw/zinc/87/46/15/568874615.db2.gz BOUJPUUIMYBWQU-QGZVFWFLSA-N 0 3 422.529 3.711 50 0 HHAAHN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000058011055 568875939 /nfs/dbraw/zinc/87/59/39/568875939.db2.gz INENECQXBFFEDY-TZIWHRDSSA-N 0 3 413.587 3.673 50 0 HHAAHN COc1cc(C(=O)NC[C@H](c2ccccc2)N(C)C)ccc1OCc1c(C)noc1C ZINC000003323922 568880992 /nfs/dbraw/zinc/88/09/92/568880992.db2.gz USUVCJLABUOKFJ-OAQYLSRUSA-N 0 3 423.513 3.912 50 0 HHAAHN CC1CCC(NC(=O)CNC2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000052833862 568908846 /nfs/dbraw/zinc/90/88/46/568908846.db2.gz HWESFAVPUIMSGT-UHFFFAOYSA-N 0 3 409.368 3.739 50 0 HHAAHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3Cl)cc2)CC1 ZINC000004123078 568945231 /nfs/dbraw/zinc/94/52/31/568945231.db2.gz VIRRUAAMWSEFSD-UHFFFAOYSA-N 0 3 402.951 3.609 50 0 HHAAHN CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(O)cc1 ZINC000008373796 568995785 /nfs/dbraw/zinc/99/57/85/568995785.db2.gz XQTCVMUAWZXZDJ-LJQANCHMSA-N 0 3 412.873 3.649 50 0 HHAAHN COc1ccc(CN2CCN(C3CCN(c4ccccc4)CC3)C[C@H]2CCO)cc1C ZINC000104456208 569008614 /nfs/dbraw/zinc/00/86/14/569008614.db2.gz FTDSCZSTHXZZAY-RUZDIDTESA-N 0 3 423.601 3.541 50 0 HHAAHN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N[C@H](CN(C)C)c3ccccc3)c12 ZINC000012882348 569018944 /nfs/dbraw/zinc/01/89/44/569018944.db2.gz WDQWKVSCQRGZRO-LJQANCHMSA-N 0 3 403.486 3.569 50 0 HHAAHN CC1CCN([C@H](CNC(=O)c2ccc(Cn3cncn3)cc2)c2cccs2)CC1 ZINC000012904801 569021145 /nfs/dbraw/zinc/02/11/45/569021145.db2.gz WPXNSTUMOASGBQ-HXUWFJFHSA-N 0 3 409.559 3.591 50 0 HHAAHN COc1ccc(-n2nnnc2C2(NCCc3c[nH]c4ccccc34)CCCC2)cc1 ZINC000575443714 569028549 /nfs/dbraw/zinc/02/85/49/569028549.db2.gz JBWLNTQERPPKCO-UHFFFAOYSA-N 0 3 402.502 3.754 50 0 HHAAHN COc1ccc(F)c(CN2CCC[C@]3(CCN(CCn4cc(Cl)cn4)C3)C2)c1 ZINC000426648176 569073701 /nfs/dbraw/zinc/07/37/01/569073701.db2.gz RPOGEBDWDQUXDG-OAQYLSRUSA-N 0 3 406.933 3.672 50 0 HHAAHN CN(CCNC(=O)c1cc2c(s1)c1ccccc1n(C)c2=O)Cc1ccccc1 ZINC000006771944 569117219 /nfs/dbraw/zinc/11/72/19/569117219.db2.gz RAMLYWYKRUGUTN-UHFFFAOYSA-N 0 3 405.523 3.615 50 0 HHAAHN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@@H](C)O)C(C)C)cc1 ZINC000036309544 569131204 /nfs/dbraw/zinc/13/12/04/569131204.db2.gz WIRUARKGSPHMEU-NQIIRXRSSA-N 0 3 416.587 3.653 50 0 HHAAHN COc1c(Br)cc(CN[C@@H](C)Cn2ccnc2)cc1Br ZINC000036325312 569137403 /nfs/dbraw/zinc/13/74/03/569137403.db2.gz MWPXPYHUGOWIAB-JTQLQIEISA-N 0 3 403.118 3.595 50 0 HHAAHN CC(=O)N1CCc2cc(-c3ccc(C(=O)NCCN4CCCCCC4)cc3)ccc21 ZINC000065026994 569155933 /nfs/dbraw/zinc/15/59/33/569155933.db2.gz GXINEZJQJDRLKJ-UHFFFAOYSA-N 0 3 405.542 3.868 50 0 HHAAHN O=C(Cn1cccc1-c1nnc(-c2ccccc2)o1)N1CCN(C2CCCCC2)CC1 ZINC000065035617 569158490 /nfs/dbraw/zinc/15/84/90/569158490.db2.gz APJRPIYAJRJBHM-UHFFFAOYSA-N 0 3 419.529 3.682 50 0 HHAAHN CCc1ccc(CNC(=O)c2ccnc(N3CCN[C@@H](c4ccccc4)C3)c2)cc1 ZINC000065256387 569208374 /nfs/dbraw/zinc/20/83/74/569208374.db2.gz BWMLITWOZYROBX-HSZRJFAPSA-N 0 3 400.526 3.725 50 0 HHAAHN COc1ccc(OC)c2[nH]c(C(=O)Nc3ccc(OCCN4CCCC4)cc3)cc21 ZINC000524732311 569212626 /nfs/dbraw/zinc/21/26/26/569212626.db2.gz JXJZFJJOASNQTH-UHFFFAOYSA-N 0 3 409.486 3.912 50 0 HHAAHN COCC(=O)N(c1ccc(OC)c(OC)c1)C1CCN(Cc2cccc(C)c2)CC1 ZINC000037559640 569306867 /nfs/dbraw/zinc/30/68/67/569306867.db2.gz KCGUYHUEHGOBEK-UHFFFAOYSA-N 0 3 412.530 3.656 50 0 HHAAHN CCO[C@H](O)[C@@H]1N[C@H](c2ccc(C(F)(F)F)cc2)C([N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000252626949 569310585 /nfs/dbraw/zinc/31/05/85/569310585.db2.gz RJAMVXLGGRZFAI-QQXKLLMISA-N 0 3 410.392 3.502 50 0 HHAAHN CC(C)N1CCN([C@H]2CCOC3(CCN(C(=O)CCC4CCCC4)CC3)C2)CC1 ZINC000581819767 569320696 /nfs/dbraw/zinc/32/06/96/569320696.db2.gz JSTIRNGQEBXBOV-QFIPXVFZSA-N 0 3 405.627 3.523 50 0 HHAAHN CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OC)c1 ZINC000002421782 569398230 /nfs/dbraw/zinc/39/82/30/569398230.db2.gz KZBOAUAIAGOSIR-OAQYLSRUSA-N 0 3 406.482 3.689 50 0 HHAAHN O=C(NCc1ccccc1CN1CCCCC1)c1ccc(CN2CCCC2=O)cc1 ZINC000007941335 569401882 /nfs/dbraw/zinc/40/18/82/569401882.db2.gz FWOFMQFJIKXYBG-UHFFFAOYSA-N 0 3 405.542 3.725 50 0 HHAAHN CCc1[nH]c(C(=O)N(C)C[C@H]2CCN(Cc3ccc(C)s3)C2)c(C)c1C(=O)OC ZINC000328591654 569415047 /nfs/dbraw/zinc/41/50/47/569415047.db2.gz GNOUXKGRBFBCQD-MRXNPFEDSA-N 0 3 417.575 3.636 50 0 HHAAHN COc1cc(F)ccc1CN1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000019300747 569415787 /nfs/dbraw/zinc/41/57/87/569415787.db2.gz MHFMUTGVUNGLFS-JOCHJYFZSA-N 0 3 401.501 3.760 50 0 HHAAHN C[C@H]1C[C@@H](N(C)C(=O)COc2ccc3cc(Br)ccc3c2)CCN1C ZINC000078870216 569421135 /nfs/dbraw/zinc/42/11/35/569421135.db2.gz OIOJDZZVRKWRCQ-KSSFIOAISA-N 0 3 405.336 3.922 50 0 HHAAHN O=C(C1CC1)N1CCC[C@@H](C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000078879443 569421464 /nfs/dbraw/zinc/42/14/64/569421464.db2.gz AXJUCWBQEPAGOK-HSZRJFAPSA-N 0 3 423.601 3.682 50 0 HHAAHN CC1(C)CCC[C@H]1N(CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccccc1 ZINC000079022072 569424458 /nfs/dbraw/zinc/42/44/58/569424458.db2.gz FZTZZRQRGDKMDN-OAQYLSRUSA-N 0 3 400.563 3.869 50 0 HHAAHN CCN1CCN(Cc2ccc(CNC(=O)CCc3nc4ccccc4s3)cc2)CC1 ZINC000040115268 571172991 /nfs/dbraw/zinc/17/29/91/571172991.db2.gz ZYTBTHPUUKMOQG-UHFFFAOYSA-N 0 3 422.598 3.683 50 0 HHAAHN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1cccnc1)N(CCCN(C)C)C3=O ZINC000010233077 571297490 /nfs/dbraw/zinc/29/74/90/571297490.db2.gz BWBSUCYELZQOJF-LJQANCHMSA-N 0 3 411.889 3.647 50 0 HHAAHN CCN(CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@@H]1c1ccccc1 ZINC000010233195 571297625 /nfs/dbraw/zinc/29/76/25/571297625.db2.gz ARMRUHIOLSXDFV-NRFANRHFSA-N 0 3 406.482 3.689 50 0 HHAAHN COc1cc(C(=O)NC[C@@H](c2cccc3ccccc32)N(C)C)cc(OC)c1OC ZINC000010330394 571300481 /nfs/dbraw/zinc/30/04/81/571300481.db2.gz XTZAHEAFCSJKAO-FQEVSTJZSA-N 0 3 408.498 3.898 50 0 HHAAHN COc1ccccc1CCC(=O)Nc1ccc2c(c1)CN(CCCn1cccn1)CC2 ZINC000011998592 962221952 /nfs/dbraw/zinc/22/19/52/962221952.db2.gz GZOVJLNGGGJKPT-UHFFFAOYSA-N 0 3 418.541 3.911 50 0 HHAAHN CCN(CC)CCN(C(=O)c1cc(C)nn1C)c1nc2c(cc(F)cc2F)s1 ZINC000012229398 962255947 /nfs/dbraw/zinc/25/59/47/962255947.db2.gz BOQFRRQDEGNRIR-UHFFFAOYSA-N 0 3 407.490 3.605 50 0 HHAAHN CCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(CC(C)C)cc1)CC2)C(C)C ZINC000012244612 962257754 /nfs/dbraw/zinc/25/77/54/962257754.db2.gz KOZVLWJFDAFVRL-QHCPKHFHSA-N 0 3 411.594 3.758 50 0 HHAAHN CCCC[C@@H]1CN(CCC(=O)NCc2cn3ccccc3n2)Cc2ccccc2O1 ZINC000012244174 962257834 /nfs/dbraw/zinc/25/78/34/962257834.db2.gz JFXLYMAPSWZBQO-OAQYLSRUSA-N 0 3 406.530 3.794 50 0 HHAAHN CC(=O)N(c1nc(/C=C\C(=O)N2CCN(CC(C)C)CC2)cs1)c1ccccc1 ZINC000096585356 969047467 /nfs/dbraw/zinc/04/74/67/969047467.db2.gz DTMFHVRPEOHAMK-KTKRTIGZSA-N 0 3 412.559 3.641 50 0 HHAAHN COCC(=O)NC[C@@H]1CN(Cc2ccc(OC)c(OC)c2Cl)CC12CCCCC2 ZINC000409420387 972891207 /nfs/dbraw/zinc/89/12/07/972891207.db2.gz MFHTUOOANRALGY-QGZVFWFLSA-N 0 3 424.969 3.502 50 0 HHAAHN COc1ccc([C@@H](NCC(=O)N2CCC(OCc3ccccc3)CC2)C2CC2)cc1 ZINC000540592536 1011250211 /nfs/dbraw/zinc/25/02/11/1011250211.db2.gz PKLIIQNWNBNZPW-VWLOTQADSA-N 0 3 408.542 3.944 50 0 HHAAHN CCOc1ccccc1N1CCN(C(=O)C2CCN(Cc3cccs3)CC2)CC1 ZINC000001179440 132240671 /nfs/dbraw/zinc/24/06/71/132240671.db2.gz MQELJBIOOYOULG-UHFFFAOYSA-N 0 3 413.587 3.708 50 0 HHAAHN CCOc1ccccc1N1CCN(C(=O)C2CCN(Cc3cccc(C)c3)CC2)CC1 ZINC000004676819 132282344 /nfs/dbraw/zinc/28/23/44/132282344.db2.gz MVLSGOOBORSGFR-UHFFFAOYSA-N 0 3 421.585 3.955 50 0 HHAAHN Cc1ccc2c(c1)N(C(=O)CCC(=O)NCCCN(C)Cc1ccccc1)C[C@@H](C)O2 ZINC000006798011 132317153 /nfs/dbraw/zinc/31/71/53/132317153.db2.gz JBPKQLDCIMJVQF-HXUWFJFHSA-N 0 3 423.557 3.527 50 0 HHAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)C2CCN(C(=O)C3CC3)CC2)cc1 ZINC000032908703 521891796 /nfs/dbraw/zinc/89/17/96/521891796.db2.gz XZTIKVQKABGNGB-UHFFFAOYSA-N 0 3 419.569 3.680 50 0 HHAAHN CC(C(=O)N(C)Cc1ccccc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000032929646 524085631 /nfs/dbraw/zinc/08/56/31/524085631.db2.gz VLRUSKSUTJXXPO-ZDUSSCGKSA-N 0 3 400.327 3.955 50 0 HHAAHN COc1ccccc1N1CCN(c2c3ccccc3oc(=O)c2CN2CCCC2)CC1 ZINC000007504109 537071432 /nfs/dbraw/zinc/07/14/32/537071432.db2.gz BQEPGJNWQWTLJX-UHFFFAOYSA-N 0 3 419.525 3.724 50 0 HHAAHN C[C@H](CN(C)Cc1ccccc1)OC(=O)c1ccccc1I ZINC000000641639 557032915 /nfs/dbraw/zinc/03/29/15/557032915.db2.gz AZLNEGKRNAPIKU-CQSZACIVSA-N 0 3 409.267 3.969 50 0 HHAAHN COCCN(C[C@H]1CN(Cc2ccc[nH]2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740505 557443867 /nfs/dbraw/zinc/44/38/67/557443867.db2.gz QHTQETRUAUTZJL-DENIHFKCSA-N 0 3 401.526 3.500 50 0 HHAAHN O=C1C[C@H](NCCc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 ZINC000004682445 557580786 /nfs/dbraw/zinc/58/07/86/557580786.db2.gz NLSVFZPHOHCARU-INIZCTEOSA-N 0 3 407.695 3.567 50 0 HHAAHN O=C(CCc1nc(-c2ccccc2)no1)N[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000011769977 558274315 /nfs/dbraw/zinc/27/43/15/558274315.db2.gz QMSWPEWXAGOUQK-QFIPXVFZSA-N 0 3 418.541 3.883 50 0 HHAAHN O=C(Cc1ccc(Cl)cc1)NC[C@@H]1CCC2(CCN(Cc3cccnc3)CC2)O1 ZINC000011791347 558277477 /nfs/dbraw/zinc/27/74/77/558277477.db2.gz RRVWRRANJGHBQX-NRFANRHFSA-N 0 3 413.949 3.608 50 0 HHAAHN CCN1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000019881353 558300999 /nfs/dbraw/zinc/30/09/99/558300999.db2.gz FTUCIZNIMGFHOE-KMYAOZERSA-N 0 3 403.526 3.905 50 0 HHAAHN CCc1ccc(CN2CCC3(C[C@H]3C(=O)N3CCN(Cc4ccccc4)CC3)CC2)o1 ZINC000011972238 558305109 /nfs/dbraw/zinc/30/51/09/558305109.db2.gz AQYBESSAIORXBH-DEOSSOPVSA-N 0 3 421.585 3.789 50 0 HHAAHN CC(C)C(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012098687 558325236 /nfs/dbraw/zinc/32/52/36/558325236.db2.gz ZBPXDNJXLPENPB-LJQANCHMSA-N 0 3 417.557 3.837 50 0 HHAAHN O=C1CC[C@@H](CCNCc2cc3c(cc2Cl)OCO3)N1CCc1ccc(F)cc1 ZINC000012099406 558325568 /nfs/dbraw/zinc/32/55/68/558325568.db2.gz IAEUTGPQXMPGIS-SFHVURJKSA-N 0 3 418.896 3.921 50 0 HHAAHN COc1cc(CNCc2ccc(F)cc2)ccc1Oc1nnnn1-c1ccccc1 ZINC000020228736 558349846 /nfs/dbraw/zinc/34/98/46/558349846.db2.gz SETFOUHLQXWBIA-UHFFFAOYSA-N 0 3 405.433 3.892 50 0 HHAAHN CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(Cc2cccc(OCCO)c2)C1 ZINC000012210083 558353794 /nfs/dbraw/zinc/35/37/94/558353794.db2.gz LKILXATTWHWHQB-RUZDIDTESA-N 0 3 411.542 3.754 50 0 HHAAHN COc1ccc(C(=O)NC2CC2)cc1OC1CCN([C@@H](C)Cc2cc(C)ccn2)CC1 ZINC000020450718 558365537 /nfs/dbraw/zinc/36/55/37/558365537.db2.gz MYJMDHNEGYCHGR-SFHVURJKSA-N 0 3 423.557 3.765 50 0 HHAAHN COCCNC(=O)c1cccc(OC2CCN(Cc3cc4ccccc4o3)CC2)c1 ZINC000012313904 558377556 /nfs/dbraw/zinc/37/75/56/558377556.db2.gz VIQCXQCSUPUTDA-UHFFFAOYSA-N 0 3 408.498 3.852 50 0 HHAAHN O=C1CC[C@H](CCNCc2cc3c(cc2Cl)OCO3)N1Cc1cccc(F)c1 ZINC000012328945 558383649 /nfs/dbraw/zinc/38/36/49/558383649.db2.gz RDMHMDLRWCPLAB-QGZVFWFLSA-N 0 3 404.869 3.879 50 0 HHAAHN CC(=O)c1ccc(OCC(=O)N(C)[C@H]2CCCN(CCCc3ccccc3)C2)cc1 ZINC000012432867 558407017 /nfs/dbraw/zinc/40/70/17/558407017.db2.gz ANQKKYALLDXINW-QHCPKHFHSA-N 0 3 408.542 3.824 50 0 HHAAHN CCN1CCN(C2CCN(c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)CC2)CC1 ZINC000020782998 558413046 /nfs/dbraw/zinc/41/30/46/558413046.db2.gz CHGKDFGMJBPNMR-OAQYLSRUSA-N 0 3 420.601 3.784 50 0 HHAAHN CC(=O)Nc1ccnn1C1CCN(Cc2cc(F)ccc2-n2nc(C)cc2C)CC1 ZINC000012580534 558432326 /nfs/dbraw/zinc/43/23/26/558432326.db2.gz SIDXTESSSSKCRT-UHFFFAOYSA-N 0 3 410.497 3.620 50 0 HHAAHN COc1ccc(-n2cc(CNC[C@@H]3COCCO3)c(-c3ccccc3Cl)n2)cc1 ZINC000012586104 558434112 /nfs/dbraw/zinc/43/41/12/558434112.db2.gz NYFVZETXZOTSHL-LJQANCHMSA-N 0 3 413.905 3.706 50 0 HHAAHN Cc1cc(C)n(CCNCc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)n1 ZINC000012593871 558436591 /nfs/dbraw/zinc/43/65/91/558436591.db2.gz HWWVDYHDFAVVJE-UHFFFAOYSA-N 0 3 415.497 3.871 50 0 HHAAHN Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCC[C@H](C(N)=O)C1 ZINC000012595124 558437392 /nfs/dbraw/zinc/43/73/92/558437392.db2.gz AVIXWNUGZDCXHI-INIZCTEOSA-N 0 3 410.468 3.823 50 0 HHAAHN O=C1NCCN1c1ccc(CN2CCC[C@@](CO)(CCCc3ccccc3)C2)cc1 ZINC000012762811 558461370 /nfs/dbraw/zinc/46/13/70/558461370.db2.gz UTOBZSYFHQKVIW-VWLOTQADSA-N 0 3 407.558 3.814 50 0 HHAAHN CCN(CC)[C@@H](CNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C)c1ccccc1 ZINC000012794426 558467659 /nfs/dbraw/zinc/46/76/59/558467659.db2.gz AMJQWHOAKOQPID-VXKWHMMOSA-N 0 3 413.537 3.779 50 0 HHAAHN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000012818026 558476083 /nfs/dbraw/zinc/47/60/83/558476083.db2.gz BJUVPTZYNUAMOV-VXKWHMMOSA-N 0 3 411.521 3.533 50 0 HHAAHN Cc1ccc2nc(-c3ccc(NC(=O)CN4CCN5CCC[C@@H]5C4)cc3)sc2c1 ZINC000022752751 558507821 /nfs/dbraw/zinc/50/78/21/558507821.db2.gz PZSUYMXJTDFDJP-LJQANCHMSA-N 0 3 406.555 3.990 50 0 HHAAHN OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2)CCN1CCCc1ccccc1 ZINC000023375270 558554800 /nfs/dbraw/zinc/55/48/00/558554800.db2.gz GWBFSEDNPRJLFB-XMMPIXPASA-N 0 3 404.558 3.578 50 0 HHAAHN Cn1nnnc1SCCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000013945472 558606903 /nfs/dbraw/zinc/60/69/03/558606903.db2.gz REKYTEWKSLGLEO-UHFFFAOYSA-N 0 3 424.357 3.978 50 0 HHAAHN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000014239193 558642783 /nfs/dbraw/zinc/64/27/83/558642783.db2.gz AZBIKEUTFNSGNG-QHCPKHFHSA-N 0 3 419.525 3.668 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)c(C)c2)CC1 ZINC000026908860 558666819 /nfs/dbraw/zinc/66/68/19/558666819.db2.gz HNKXBIDDDXAZIC-UHFFFAOYSA-N 0 3 424.570 3.824 50 0 HHAAHN CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCc1ccccc1Cl)C2 ZINC000014740949 558666866 /nfs/dbraw/zinc/66/68/66/558666866.db2.gz WVHGKABSSPSKBX-KRWDZBQOSA-N 0 3 400.954 3.830 50 0 HHAAHN COC(=O)c1ccc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccccc3F)C2)cc1 ZINC000014955617 558682282 /nfs/dbraw/zinc/68/22/82/558682282.db2.gz ZWSMVPUSGPFIBS-SFHVURJKSA-N 0 3 412.505 3.639 50 0 HHAAHN Cc1noc(C)c1CSc1ncccc1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000028022734 558689856 /nfs/dbraw/zinc/68/98/56/558689856.db2.gz OYJYSMHKHFBIKZ-UHFFFAOYSA-N 0 3 410.543 3.970 50 0 HHAAHN Cc1cnc(C(=O)N(C)C[C@H]2CCCN(CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000014978804 558690403 /nfs/dbraw/zinc/69/04/03/558690403.db2.gz MNYMXSNDUNATRN-GOSISDBHSA-N 0 3 420.479 3.831 50 0 HHAAHN CCN1CCN(C2(CNC(=O)[C@H](C)Oc3ccc(C)c(C)c3)CCCCC2)CC1 ZINC000028293553 558698535 /nfs/dbraw/zinc/69/85/35/558698535.db2.gz DUUABTSIADMIET-NRFANRHFSA-N 0 3 401.595 3.527 50 0 HHAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2snnc2C)CC1 ZINC000015064383 558707318 /nfs/dbraw/zinc/70/73/18/558707318.db2.gz PGYHOBAECPCAOH-UHFFFAOYSA-N 0 3 416.591 3.866 50 0 HHAAHN CN(C)[C@H](CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1ccccc1 ZINC000028957097 558707944 /nfs/dbraw/zinc/70/79/44/558707944.db2.gz DHHPQPXOUPJBEJ-SJLPKXTDSA-N 0 3 403.935 3.562 50 0 HHAAHN O=C(CCC1CCN(Cc2ccc(OC3CCCC3)cc2)CC1)N1CCOCC1 ZINC000015065381 558708303 /nfs/dbraw/zinc/70/83/03/558708303.db2.gz HBISXGDEQSNVTD-UHFFFAOYSA-N 0 3 400.563 3.859 50 0 HHAAHN CCN(CCn1cccn1)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000015068603 558711301 /nfs/dbraw/zinc/71/13/01/558711301.db2.gz JTXRVQCNLCXMGM-UHFFFAOYSA-N 0 3 415.497 3.987 50 0 HHAAHN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCN(C2CCCCC2)CC1 ZINC000015679390 558748830 /nfs/dbraw/zinc/74/88/30/558748830.db2.gz FSTZMZYJXIEXDZ-UHFFFAOYSA-N 0 3 417.351 3.930 50 0 HHAAHN CCc1ccccc1NC(=O)N1CCN(c2cc(N3CCCCC3)nc(C)n2)CC1 ZINC000033318539 558766323 /nfs/dbraw/zinc/76/63/23/558766323.db2.gz BZLHJMQGVJKFEB-UHFFFAOYSA-N 0 3 408.550 3.692 50 0 HHAAHN Cc1cc(C)c(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1C ZINC000004581168 558767138 /nfs/dbraw/zinc/76/71/38/558767138.db2.gz FTQJENVLAQONJF-UHFFFAOYSA-N 0 3 402.604 3.887 50 0 HHAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCN(CCC(C)C)[C@H](CCO)C1 ZINC000038149276 558811035 /nfs/dbraw/zinc/81/10/35/558811035.db2.gz UGCGHCLEVHEWLA-JOCHJYFZSA-N 0 3 402.558 3.543 50 0 HHAAHN Cc1cc(C)n(-c2cccc(CN3CCN(CCc4ccccc4)[C@H](CCO)C3)c2)n1 ZINC000039364236 558820391 /nfs/dbraw/zinc/82/03/91/558820391.db2.gz XYZFJEYWQBSSJM-AREMUKBSSA-N 0 3 418.585 3.600 50 0 HHAAHN COc1cc2c(cc1CN[C@H]1CCCN(c3ccc(C(F)(F)F)cn3)C1)OCO2 ZINC000019223093 558852277 /nfs/dbraw/zinc/85/22/77/558852277.db2.gz ZGTWOWATIZMULZ-HNNXBMFYSA-N 0 3 409.408 3.596 50 0 HHAAHN COc1cc2c(cc1CN[C@@H]1CCCN(c3ccc(C(F)(F)F)cn3)C1)OCO2 ZINC000019223092 558852297 /nfs/dbraw/zinc/85/22/97/558852297.db2.gz ZGTWOWATIZMULZ-OAHLLOKOSA-N 0 3 409.408 3.596 50 0 HHAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000023017974 558863116 /nfs/dbraw/zinc/86/31/16/558863116.db2.gz PVKGRKAVVYKXCX-VQTJNVASSA-N 0 3 411.571 3.554 50 0 HHAAHN COc1ccc(CN2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cc1OC ZINC000019300342 558866128 /nfs/dbraw/zinc/86/61/28/558866128.db2.gz BVCODQJLYMAJBK-FQEVSTJZSA-N 0 3 413.537 3.630 50 0 HHAAHN C[C@@H]1CN(CC2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)C[C@H](C)O1 ZINC000058227371 558913713 /nfs/dbraw/zinc/91/37/13/558913713.db2.gz CHICMEBTUXRVHK-GASCZTMLSA-N 0 3 414.377 3.753 50 0 HHAAHN CCOC(=O)N1CCC(N(CCN(C)C)C(=S)Nc2ccccc2Cl)CC1 ZINC000004710303 558914303 /nfs/dbraw/zinc/91/43/03/558914303.db2.gz FRUIKUIJTWWSBM-UHFFFAOYSA-N 0 3 412.987 3.521 50 0 HHAAHN Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)cc1Cl ZINC000072139277 558928979 /nfs/dbraw/zinc/92/89/79/558928979.db2.gz AILCXVASLPONMR-UHFFFAOYSA-N 0 3 414.941 3.701 50 0 HHAAHN O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000019626761 558947295 /nfs/dbraw/zinc/94/72/95/558947295.db2.gz LHWYIJDQWAAMBY-UHFFFAOYSA-N 0 3 407.436 3.732 50 0 HHAAHN COc1ccc(C(=O)NCCc2cccs2)cc1OC1CCN(C(C)C)CC1 ZINC000095522415 559085505 /nfs/dbraw/zinc/08/55/05/559085505.db2.gz RVYCDNDAKUFCLQ-UHFFFAOYSA-N 0 3 402.560 3.981 50 0 HHAAHN O=C1C[C@@H](NC23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccc(Br)cc1 ZINC000004904839 559200512 /nfs/dbraw/zinc/20/05/12/559200512.db2.gz PCCYUJRAKWLFES-ANCGMVAHSA-N 0 3 403.320 3.639 50 0 HHAAHN COc1cc(NC(=O)c2cc3cc4c5c(c3oc2=N)CCCN5CCC4)cc(OC)c1 ZINC000004921994 559207020 /nfs/dbraw/zinc/20/70/20/559207020.db2.gz VKLQCYIOFPCXQV-UHFFFAOYSA-N 0 3 419.481 3.881 50 0 HHAAHN O=C(CC1(n2cccc2)CCOCC1)Nc1ccccc1OCCN1CCCCC1 ZINC000409413570 559250749 /nfs/dbraw/zinc/25/07/49/559250749.db2.gz IWJAMFJJYSCVLO-UHFFFAOYSA-N 0 3 411.546 3.887 50 0 HHAAHN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CN3CCCCCC3)C2)c(C)c1 ZINC000011818795 559260508 /nfs/dbraw/zinc/26/05/08/559260508.db2.gz CPIFUTQOEQLNDN-HXUWFJFHSA-N 0 3 415.578 3.837 50 0 HHAAHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000248115875 559264089 /nfs/dbraw/zinc/26/40/89/559264089.db2.gz SHTFPMVMGLVGSN-NFAWXSAZSA-N 0 3 419.360 3.614 50 0 HHAAHN CCN1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccc(Cl)cc3)c(=O)c2C1 ZINC000062007124 560566343 /nfs/dbraw/zinc/56/63/43/560566343.db2.gz FWRKOUFFVTUWQP-UHFFFAOYSA-N 0 3 422.916 3.580 50 0 HHAAHN CCC[C@@H]1[C@@H]2C(=O)N(c3ccccc3Br)C(=O)C2ON1c1ccccc1 ZINC000018060766 560774179 /nfs/dbraw/zinc/77/41/79/560774179.db2.gz JPAGAUXKVTXNOI-SQNIBIBYSA-N 0 3 415.287 3.928 50 0 HHAAHN CC[C@@H](C)[C@H](C(=O)Nc1ccc(OCCN(C)C)cc1)N1Cc2ccccc2C1=O ZINC000583652520 560779345 /nfs/dbraw/zinc/77/93/45/560779345.db2.gz KZCPABYIXPBIRS-VGOFRKELSA-N 0 3 409.530 3.636 50 0 HHAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000103019884 560836787 /nfs/dbraw/zinc/83/67/87/560836787.db2.gz QKCWRQZHQLQNEA-QHAWAJNXSA-N 0 3 404.422 3.729 50 0 HHAAHN Cc1ccc(CNCc2cccc(OC[C@@H](O)CN3CCc4ccccc4C3)c2)o1 ZINC000012053881 560887940 /nfs/dbraw/zinc/88/79/40/560887940.db2.gz CKSMJQIBTQQFHG-QHCPKHFHSA-N 0 3 406.526 3.676 50 0 HHAAHN COc1ccc(Cl)cc1CS(=O)(=O)C(C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000109033434 568420760 /nfs/dbraw/zinc/42/07/60/568420760.db2.gz KKURHEADHOMXPU-SZOQZIPDSA-N 0 3 401.956 3.593 50 0 HHAAHN CN(C)C[C@@H](CNC(=O)Nc1nnc(C2CCCCC2)s1)[C@@H](O)c1ccccc1 ZINC000048275196 568435458 /nfs/dbraw/zinc/43/54/58/568435458.db2.gz KYEHYGQAEPWBEK-MSOLQXFVSA-N 0 3 417.579 3.619 50 0 HHAAHN CCCN1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccccc3C)c(=O)c2C1 ZINC000049400697 568447704 /nfs/dbraw/zinc/44/77/04/568447704.db2.gz OGPUOZVVHWVIDK-UHFFFAOYSA-N 0 3 416.525 3.626 50 0 HHAAHN CCN1CCC(N(Cc2ccco2)C(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000006877600 568462939 /nfs/dbraw/zinc/46/29/39/568462939.db2.gz OBYGNZREHKFNFQ-UHFFFAOYSA-N 0 3 417.506 3.824 50 0 HHAAHN CCOc1cc2c(cc1CNC[C@@H](c1cccs1)N1CCN(C)CC1)O[C@@H](C)C2 ZINC000022804355 568499787 /nfs/dbraw/zinc/49/97/87/568499787.db2.gz JNEXNZCUVPEBRT-PXNSSMCTSA-N 0 3 415.603 3.549 50 0 HHAAHN CCN1CCN(CCCN(Cc2ccco2)C(=S)Nc2ccc(OC)cc2)CC1 ZINC000020107821 568588169 /nfs/dbraw/zinc/58/81/69/568588169.db2.gz NGNOOYMDMIRRBM-UHFFFAOYSA-N 0 3 416.591 3.515 50 0 HHAAHN COc1ccc([C@H](O)[C@@H](C)NCC2=Cc3cc(Br)ccc3OC2)cc1 ZINC000095442652 568611053 /nfs/dbraw/zinc/61/10/53/568611053.db2.gz XCOIHEIQXXMCMO-ZUOKHONESA-N 0 3 404.304 3.945 50 0 HHAAHN CN1CCN([C@H]2CCCCN(C(=O)Nc3ccc(N4CCCC4)c(Cl)c3)C2)CC1 ZINC000095454965 568616747 /nfs/dbraw/zinc/61/67/47/568616747.db2.gz PJLNSLAJSFHIIL-IBGZPJMESA-N 0 3 420.001 3.574 50 0 HHAAHN CC(C)NC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000020762158 568642626 /nfs/dbraw/zinc/64/26/26/568642626.db2.gz MWHAEIYCMQZNGZ-RXVVDRJESA-N 0 3 424.593 3.646 50 0 biogenic HHAAHN COc1ccc(CNC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1Br ZINC000025262228 568761093 /nfs/dbraw/zinc/76/10/93/568761093.db2.gz FQVVTGRSFBTTCC-LJQANCHMSA-N 0 3 423.326 3.760 50 0 HHAAHN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN[C@@H](CCO)C2CCCCC2)cs1 ZINC000097048967 568767186 /nfs/dbraw/zinc/76/71/86/568767186.db2.gz JRRYZNMSRMZUAA-FQEVSTJZSA-N 0 3 413.587 3.929 50 0 HHAAHN C[C@@H](CNC(=O)c1[nH]nc2c1CCCC2)Oc1cccc(CN(C)Cc2ccoc2)c1 ZINC000299774290 568874625 /nfs/dbraw/zinc/87/46/25/568874625.db2.gz BOUJPUUIMYBWQU-KRWDZBQOSA-N 0 3 422.529 3.711 50 0 HHAAHN CCCCn1cnc2sc3c(c2c1=O)CC[C@H](NCc1cn2c(cccc2C)n1)C3 ZINC000299799661 568876567 /nfs/dbraw/zinc/87/65/67/568876567.db2.gz UKVJGNBEYZUAMN-INIZCTEOSA-N 0 3 421.570 3.861 50 0 HHAAHN Fc1ccc(CN2CCCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000012785853 568960045 /nfs/dbraw/zinc/96/00/45/568960045.db2.gz UMBVWJAYICTRRN-UHFFFAOYSA-N 0 3 402.477 3.667 50 0 HHAAHN Cc1noc(C)c1COc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000008133838 568976632 /nfs/dbraw/zinc/97/66/32/568976632.db2.gz OSMLZOTVJGXJJO-NRFANRHFSA-N 0 3 405.498 3.875 50 0 HHAAHN COc1cccc([C@H](CN[C@@H](C)C(=O)N2CCCC2)c2c[nH]c3ccccc32)c1OC ZINC000008323980 568990668 /nfs/dbraw/zinc/99/06/68/568990668.db2.gz HFXROQJCCNMMGU-UWJYYQICSA-N 0 3 421.541 3.918 50 0 HHAAHN CN1CCC(N2CCN(Cc3ccc(-c4ccccc4Cl)o3)C[C@H]2CCO)CC1 ZINC000104506707 569008795 /nfs/dbraw/zinc/00/87/95/569008795.db2.gz UZGQSDRJOWTCFF-LJQANCHMSA-N 0 3 417.981 3.563 50 0 HHAAHN CN1CCC(N2CCN(Cc3ccc(-c4cccc(Cl)c4)o3)C[C@H]2CCO)CC1 ZINC000106685781 569009178 /nfs/dbraw/zinc/00/91/78/569009178.db2.gz IQZPLNCCQZCVQM-OAQYLSRUSA-N 0 3 417.981 3.563 50 0 HHAAHN Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC3CCN(Cc4ccccc4)CC3)ccc12 ZINC000006660167 569084133 /nfs/dbraw/zinc/08/41/33/569084133.db2.gz CFZSQEVKGQDUCF-SFHVURJKSA-N 0 3 420.509 3.650 50 0 biogenic HHAAHN COc1cccc([C@H](CNC(=O)Cc2ccc(Br)cc2)N2CCCC2)c1 ZINC000036074971 569086888 /nfs/dbraw/zinc/08/68/88/569086888.db2.gz WPJYLWNEIXSDIT-FQEVSTJZSA-N 0 3 417.347 3.954 50 0 HHAAHN CC1CCN(c2ccc(-c3noc(C(=O)NCCN4CCCCCC4)n3)cc2)CC1 ZINC000064746430 569088533 /nfs/dbraw/zinc/08/85/33/569088533.db2.gz MYVUWFZXKREATR-UHFFFAOYSA-N 0 3 411.550 3.579 50 0 HHAAHN CCCC(=O)OC[C@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1cc(C)ccc1C ZINC000036103946 569092392 /nfs/dbraw/zinc/09/23/92/569092392.db2.gz RDYXOTFASOXZCO-OAQYLSRUSA-N 0 3 413.514 3.739 50 0 HHAAHN CC(C)NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@@H]12 ZINC000169681568 569127596 /nfs/dbraw/zinc/12/75/96/569127596.db2.gz GJMMNJHLDBUAMN-ICSRJNTNSA-N 0 3 409.496 3.836 50 0 HHAAHN Cc1cccc(-c2cnc(N3CCC(C(=O)NCCN4CCCCCC4)CC3)nc2)c1 ZINC000065023854 569155205 /nfs/dbraw/zinc/15/52/05/569155205.db2.gz JRYIEUNRDZCOIZ-UHFFFAOYSA-N 0 3 421.589 3.661 50 0 HHAAHN CC(=O)N1CCc2cc(-c3ccc(C(=O)NCCN4CCCC[C@H]4C)cc3)ccc21 ZINC000065026997 569155854 /nfs/dbraw/zinc/15/58/54/569155854.db2.gz OEYNHAXOTFKXNN-GOSISDBHSA-N 0 3 405.542 3.867 50 0 HHAAHN Cc1ccc(C)c(N2N=C(C(=O)NC3CCN(Cc4ccccc4)CC3)CCC2=O)c1 ZINC000006864038 569158742 /nfs/dbraw/zinc/15/87/42/569158742.db2.gz RWJGHWDHSWYICQ-UHFFFAOYSA-N 0 3 418.541 3.567 50 0 HHAAHN COc1ccc(COC[C@@H](O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000036392126 569167395 /nfs/dbraw/zinc/16/73/95/569167395.db2.gz OALJIVLWVZBTOD-UNMCSNQZSA-N 0 3 413.514 3.571 50 0 HHAAHN Cn1c(C(=O)N2CCN(C3CCCCC3)CC2)cc2c1CCN(Cc1ccccc1)C2 ZINC000065210841 569196191 /nfs/dbraw/zinc/19/61/91/569196191.db2.gz DCONMPRNHGDGSH-UHFFFAOYSA-N 0 3 420.601 3.674 50 0 HHAAHN O=C(NCc1ccccc1Cl)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1 ZINC000065256000 569208301 /nfs/dbraw/zinc/20/83/01/569208301.db2.gz ANFSBJOZFKUWPJ-OAQYLSRUSA-N 0 3 406.917 3.816 50 0 HHAAHN CCOc1ccc(NC(=O)c2cccc(N3CCN[C@H](c4ccccc4)C3)n2)cc1 ZINC000065256303 569208388 /nfs/dbraw/zinc/20/83/88/569208388.db2.gz GJLWQYPXQJJLOD-QFIPXVFZSA-N 0 3 402.498 3.884 50 0 HHAAHN CN(C)CCNC(=O)c1cc(-c2ccccc2F)nc2onc(-c3ccccc3)c21 ZINC000036618322 569209912 /nfs/dbraw/zinc/20/99/12/569209912.db2.gz AXXLQJHDFIANFI-UHFFFAOYSA-N 0 3 404.445 3.987 50 0 HHAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000065604708 569237195 /nfs/dbraw/zinc/23/71/95/569237195.db2.gz GENMROSVISJXQZ-AUSIDOKSSA-N 0 3 410.537 3.788 50 0 HHAAHN O=C(CN1CCC[C@@H]2CCCC[C@@H]21)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000007587833 569283597 /nfs/dbraw/zinc/28/35/97/569283597.db2.gz RUOAGGNHMSYGST-YOEHRIQHSA-N 0 3 407.440 3.879 50 0 HHAAHN COC[C@H](NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000252537340 569293112 /nfs/dbraw/zinc/29/31/12/569293112.db2.gz KYRLKKDTSBXEHV-HKBOAZHASA-N 0 3 408.464 3.618 50 0 HHAAHN COc1cc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc(OC)c1OC ZINC000007671240 569300081 /nfs/dbraw/zinc/30/00/81/569300081.db2.gz ISFWUPSYHIHQSH-QGZVFWFLSA-N 0 3 418.559 3.977 50 0 HHAAHN CC(C)CN1CCN([C@@H]2CCOC3(CCN(C(=O)CCC4CCCC4)CC3)C2)CC1 ZINC000581819692 569320706 /nfs/dbraw/zinc/32/07/06/569320706.db2.gz CFMJRLRLXUTYIJ-HSZRJFAPSA-N 0 3 419.654 3.771 50 0 HHAAHN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCN2CCCCC2)cc1C ZINC000027550274 569372521 /nfs/dbraw/zinc/37/25/21/569372521.db2.gz FGIPIGSKPCFACZ-PGMHBOJBSA-N 0 3 411.571 3.738 50 0 HHAAHN COc1ccc(NC(=O)NCC2CCN(Cc3ccccc3F)CC2)cc1OC ZINC000013363929 569412123 /nfs/dbraw/zinc/41/21/23/569412123.db2.gz DZSGOYZCTMELLV-UHFFFAOYSA-N 0 3 401.482 3.877 50 0 HHAAHN C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccc(Br)cc1 ZINC000069352133 571222912 /nfs/dbraw/zinc/22/29/12/571222912.db2.gz MXIACQKIYDHCLK-MAUKXSAKSA-N 0 3 402.336 3.934 50 0 HHAAHN Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccccn2)s1 ZINC000009433852 571258638 /nfs/dbraw/zinc/25/86/38/571258638.db2.gz YMAUOFOEZCXBJO-HNNXBMFYSA-N 0 3 410.842 3.751 50 0 HHAAHN O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(CN2CCCCC2)cc1 ZINC000009711179 571281147 /nfs/dbraw/zinc/28/11/47/571281147.db2.gz CNFDUWGLDBTIHZ-UHFFFAOYSA-N 0 3 402.502 3.913 50 0 HHAAHN COc1ccccc1[C@H]1c2c(oc3cc(C)c(C)cc3c2=O)C(=O)N1CCCN(C)C ZINC000010233147 571297585 /nfs/dbraw/zinc/29/75/85/571297585.db2.gz VNMKBORTAQFCER-QFIPXVFZSA-N 0 3 420.509 3.915 50 0 HHAAHN CN(C)[C@H](CNC(=O)C(=O)NCc1ccccc1Cl)c1cccc2ccccc21 ZINC000010333773 571300708 /nfs/dbraw/zinc/30/07/08/571300708.db2.gz YRKNOWPNBXUQSV-OAQYLSRUSA-N 0 3 409.917 3.529 50 0 HHAAHN C[C@]1(C2CCN(Cc3ccc(F)cc3)CC2)NC(=O)N(Cc2ccsc2)C1=O ZINC000011784125 962189291 /nfs/dbraw/zinc/18/92/91/962189291.db2.gz GUPZVOWIGFAOHJ-OAQYLSRUSA-N 0 3 401.507 3.610 50 0 HHAAHN Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1 ZINC000011957546 962216047 /nfs/dbraw/zinc/21/60/47/962216047.db2.gz FZJTVXAOSZNAMM-QHCPKHFHSA-N 0 3 410.606 3.949 50 0 HHAAHN CC(C)CC[C@@]1(C2CCN(Cc3ccc(OC(C)C)cc3)CC2)NC(=O)NC1=O ZINC000012209583 962253283 /nfs/dbraw/zinc/25/32/83/962253283.db2.gz FAFBKSGJHLLEPC-QHCPKHFHSA-N 0 3 401.551 3.700 50 0 HHAAHN COCCN(Cc1c(C)nn(C)c1Cl)CC1CCN(Cc2ccccc2F)CC1 ZINC000015066024 962645739 /nfs/dbraw/zinc/64/57/39/962645739.db2.gz DPVRMZRYFLIIKM-UHFFFAOYSA-N 0 3 422.976 3.882 50 0 HHAAHN Fc1ccc(N2CCN([C@@H]3CCCN(Cc4ccc5nsnc5c4)C3)CC2)cc1 ZINC000022912922 963738266 /nfs/dbraw/zinc/73/82/66/963738266.db2.gz VNEUDZZNNUUXDR-HXUWFJFHSA-N 0 3 411.550 3.617 50 0 HHAAHN COCCCNC(=O)N1CCC(N2CC3(CCCCC3)[C@@H]2c2ccncc2)CC1 ZINC000169786995 970481582 /nfs/dbraw/zinc/48/15/82/970481582.db2.gz JCKZTJQAKPIWLE-NRFANRHFSA-N 0 3 400.567 3.599 50 0 HHAAHN CCOc1ccccc1CN1CCC2(CC1)C[C@@H](Cc1nc(COC)no1)CCO2 ZINC000169787354 970481832 /nfs/dbraw/zinc/48/18/32/970481832.db2.gz BEEJQDHXOQCMJR-GOSISDBHSA-N 0 3 415.534 3.619 50 0 HHAAHN CN1CCC(O)(c2ccc3c(c2)CN(Cc2ccc(F)cc2Cl)CCO3)CC1 ZINC000299756493 970721156 /nfs/dbraw/zinc/72/11/56/970721156.db2.gz FZVLTFKFKQGTAZ-UHFFFAOYSA-N 0 3 404.913 3.787 50 0 HHAAHN COc1ccccc1N1CCN(CCCCOc2c(OC)cccc2OC)CC1 ZINC000004003967 132269512 /nfs/dbraw/zinc/26/95/12/132269512.db2.gz ZOJJVSZFIYSTHC-UHFFFAOYSA-N 0 3 400.519 3.694 50 0 HHAAHN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(c2ccncc2)CC1 ZINC000004325200 132275391 /nfs/dbraw/zinc/27/53/91/132275391.db2.gz IKHCYRGAOCNKQJ-UHFFFAOYSA-N 0 3 400.841 3.800 50 0 HHAAHN Cc1nn(C)cc1[C@H](C)NC1CCN(c2ccc(C(=O)NC3CCCC3)cc2)CC1 ZINC000011911041 132352239 /nfs/dbraw/zinc/35/22/39/132352239.db2.gz VDIKRMWWARNSPX-KRWDZBQOSA-N 0 3 409.578 3.721 50 0 HHAAHN CCN(CC)[C@H](CNC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000043193443 520863671 /nfs/dbraw/zinc/86/36/71/520863671.db2.gz KXBIJYCEIHVHSR-HXUWFJFHSA-N 0 3 402.564 3.789 50 0 HHAAHN CC1CCN([C@@H](CNC(=O)Cn2ccc(C(F)(F)F)n2)c2cccs2)CC1 ZINC000041299863 521035231 /nfs/dbraw/zinc/03/52/31/521035231.db2.gz UHSUNESZNDCTSU-AWEZNQCLSA-N 0 3 400.470 3.553 50 0 HHAAHN CC(C)(C)CN1CCN(c2cccc3c2C(=O)N(CCc2cccc(F)c2)C3=O)CC1 ZINC000012245897 534606225 /nfs/dbraw/zinc/60/62/25/534606225.db2.gz NZFQMHJABNRZBA-UHFFFAOYSA-N 0 3 423.532 3.833 50 0 HHAAHN O=C(c1nc2ccc(Cl)cn2c1CNC[C@H]1CCCO1)N1CCCCCCC1 ZINC000020167109 526918183 /nfs/dbraw/zinc/91/81/83/526918183.db2.gz OEPLESHKVNLZHD-QGZVFWFLSA-N 0 3 404.942 3.663 50 0 HHAAHN O=C(NC1CC1)c1cc(N2CCCN(Cc3ccccc3)CC2)nc2ccccc21 ZINC000032853557 527494231 /nfs/dbraw/zinc/49/42/31/527494231.db2.gz UWWOSFCQAVQQCQ-UHFFFAOYSA-N 0 3 400.526 3.839 50 0 HHAAHN CN1CCC(N2CCN(Cc3ccc(-c4cccc(Cl)c4)o3)C[C@@H]2CCO)CC1 ZINC000019740641 558261609 /nfs/dbraw/zinc/26/16/09/558261609.db2.gz IQZPLNCCQZCVQM-NRFANRHFSA-N 0 3 417.981 3.563 50 0 HHAAHN Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCN(Cc3ccc4nonc4c3)C2)cc1 ZINC000011663393 558267020 /nfs/dbraw/zinc/26/70/20/558267020.db2.gz QIJPFQJNRMLCJF-SFHVURJKSA-N 0 3 416.485 3.568 50 0 HHAAHN CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1cc(C)c(C)[nH]c1=O ZINC000011719703 558271984 /nfs/dbraw/zinc/27/19/84/558271984.db2.gz RUNLLPALOFGWTQ-HXUWFJFHSA-N 0 3 413.537 3.548 50 0 HHAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)[C@H]1CC12CCC2 ZINC000011718212 558272101 /nfs/dbraw/zinc/27/21/01/558272101.db2.gz HNWTXLHBXNUEPS-OAQYLSRUSA-N 0 3 400.563 3.572 50 0 HHAAHN COc1ccccc1-c1ncc(CN[C@H]2CCCN(C3Cc4ccccc4C3)C2)cn1 ZINC000019794924 558284378 /nfs/dbraw/zinc/28/43/78/558284378.db2.gz DDXALEVLCLWZBL-QFIPXVFZSA-N 0 3 414.553 3.874 50 0 HHAAHN FC(F)(F)c1cccc(N2CCN([C@H]3CCCN(Cc4cccnc4)C3)CC2)c1 ZINC000019798623 558284746 /nfs/dbraw/zinc/28/47/46/558284746.db2.gz MORMPUYFYCRRMZ-NRFANRHFSA-N 0 3 404.480 3.887 50 0 HHAAHN CO[C@H](C(=O)Nc1ccnn1C1CCN(Cc2cccc(O)c2)CC1)c1ccccc1 ZINC000011873229 558290993 /nfs/dbraw/zinc/29/09/93/558290993.db2.gz NJLGVOTYHPRQJT-QHCPKHFHSA-N 0 3 420.513 3.752 50 0 HHAAHN CCn1ncc(CN2CCC[C@H](CCC(=O)Nc3cc(OC)cc(OC)c3)C2)c1C ZINC000011878311 558292729 /nfs/dbraw/zinc/29/27/29/558292729.db2.gz BMTZNCBUAYSUOA-GOSISDBHSA-N 0 3 414.550 3.860 50 0 HHAAHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)Cc4ccccc4)C3)C2)c1OC ZINC000011879493 558294306 /nfs/dbraw/zinc/29/43/06/558294306.db2.gz LLGFYAVIOQSWRY-VWLOTQADSA-N 0 3 408.542 3.761 50 0 HHAAHN c1cc(CN2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)n(-c2cccnc2)c1 ZINC000019850327 558295459 /nfs/dbraw/zinc/29/54/59/558295459.db2.gz MEVNRZDQSGVIQU-XMMPIXPASA-N 0 3 401.558 3.659 50 0 HHAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)c1cc(-c2cccn2C)n[nH]1 ZINC000011935262 558299480 /nfs/dbraw/zinc/29/94/80/558299480.db2.gz RITRWMFZXDBKJR-UHFFFAOYSA-N 0 3 423.536 3.581 50 0 HHAAHN O=C(c1ccc(OC2CCN(C3CSCCSC3)CC2)cc1)N1CCCC1 ZINC000012005428 558309241 /nfs/dbraw/zinc/30/92/41/558309241.db2.gz HSNFGTYNMQSIBU-UHFFFAOYSA-N 0 3 406.617 3.614 50 0 HHAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1cccs1 ZINC000012058424 558316906 /nfs/dbraw/zinc/31/69/06/558316906.db2.gz XDBDLABDMNGQND-GOSISDBHSA-N 0 3 403.567 3.803 50 0 HHAAHN COC[C@@H]1CCN(Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000012074208 558318971 /nfs/dbraw/zinc/31/89/71/558318971.db2.gz NYLCWZPUVBALBO-LJQANCHMSA-N 0 3 405.498 3.795 50 0 HHAAHN O=C1CC[C@H](CCNCc2cc3c(cc2Cl)OCO3)N1CCCc1ccncc1 ZINC000012246944 558362008 /nfs/dbraw/zinc/36/20/08/558362008.db2.gz URVPQDOWKBGPAF-GOSISDBHSA-N 0 3 415.921 3.567 50 0 HHAAHN O=C(CCC1CCN(Cc2c[nH]nc2-c2cccc(F)c2)CC1)NC[C@H]1CCCO1 ZINC000012317816 558381106 /nfs/dbraw/zinc/38/11/06/558381106.db2.gz KFLYPUBPHRNOQA-OAQYLSRUSA-N 0 3 414.525 3.503 50 0 HHAAHN O=C1N(CCc2ccccc2)C[C@@H]2C[C@@H](c3cccn3-c3ccccn3)N3CCC[C@@]123 ZINC000012318218 558381434 /nfs/dbraw/zinc/38/14/34/558381434.db2.gz UDOVUVSNSCAONF-KJOQGJGQSA-N 0 3 412.537 3.853 50 0 HHAAHN COc1ccc(CCC(=O)N(C)[C@@H]2CCCN(CCc3ccccc3)C2)cc1OC ZINC000012439069 558410597 /nfs/dbraw/zinc/41/05/97/558410597.db2.gz SLLDGWIEDGBANQ-JOCHJYFZSA-N 0 3 410.558 3.802 50 0 HHAAHN COc1cc(C(=O)N[C@@H](C)Cn2ccc3ccccc32)ccc1OC1CCN(C)CC1 ZINC000012442533 558412631 /nfs/dbraw/zinc/41/26/31/558412631.db2.gz JPYIFXKJMQGGMT-SFHVURJKSA-N 0 3 421.541 3.941 50 0 HHAAHN CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1ccc2c(c1)OCCO2 ZINC000012443196 558412977 /nfs/dbraw/zinc/41/29/77/558412977.db2.gz UWTBLEWZRVVWBZ-SFHVURJKSA-N 0 3 412.505 3.624 50 0 HHAAHN COC(=O)c1ccccc1C(=O)N(C)CC1CCN(CCc2ccccc2F)CC1 ZINC000012456886 558417480 /nfs/dbraw/zinc/41/74/80/558417480.db2.gz SIHVQVMAUPVIEH-UHFFFAOYSA-N 0 3 412.505 3.639 50 0 HHAAHN COc1ccc(-c2n[nH]cc2CN2CCN([C@@H]3CCc4ccccc4C3)CC2)cc1F ZINC000020999086 558427762 /nfs/dbraw/zinc/42/77/62/558427762.db2.gz KHWAWUHSFXSGSX-JOCHJYFZSA-N 0 3 420.532 3.900 50 0 HHAAHN COc1ccc(-c2n[nH]cc2CN2CCN([C@H]3CCc4ccccc4C3)CC2)cc1F ZINC000020999087 558427902 /nfs/dbraw/zinc/42/79/02/558427902.db2.gz KHWAWUHSFXSGSX-QFIPXVFZSA-N 0 3 420.532 3.900 50 0 HHAAHN CN(C(=O)c1cnn(Cc2ccccc2)c1)[C@H]1CCCN(CCc2ccccc2)C1 ZINC000012751130 558459023 /nfs/dbraw/zinc/45/90/23/558459023.db2.gz HIDSCOUMHCWCJC-DEOSSOPVSA-N 0 3 402.542 3.711 50 0 HHAAHN O=C1NCCN1c1ccc(CN2CCC[C@](CO)(CCCc3ccccc3)C2)cc1 ZINC000012762816 558461477 /nfs/dbraw/zinc/46/14/77/558461477.db2.gz UTOBZSYFHQKVIW-RUZDIDTESA-N 0 3 407.558 3.814 50 0 HHAAHN Cc1ccccc1CN1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)C[C@@H]1CCO ZINC000022851146 558516931 /nfs/dbraw/zinc/51/69/31/558516931.db2.gz UWWONWUWIUKLFD-QHCPKHFHSA-N 0 3 408.521 3.593 50 0 HHAAHN COc1ccc(CN2CCN(Cc3cccc4cccnc43)C[C@@H]2CCO)c(C)c1C ZINC000022919649 558522621 /nfs/dbraw/zinc/52/26/21/558522621.db2.gz FTVWJTNMODSIFY-DEOSSOPVSA-N 0 3 419.569 3.929 50 0 HHAAHN O=C(CN1CCCN(Cc2ccccc2)CC1)Nc1ccccc1Br ZINC000022930691 558524155 /nfs/dbraw/zinc/52/41/55/558524155.db2.gz OIEGFNBBNWFLMX-UHFFFAOYSA-N 0 3 402.336 3.596 50 0 HHAAHN COCCCN1C(=O)C(CC(=O)Nc2ccc(Cl)cc2)n2c3ccccc3nc21 ZINC000023382052 558555249 /nfs/dbraw/zinc/55/52/49/558555249.db2.gz WVIUXICHCDSTJF-GOSISDBHSA-N 0 3 412.877 3.643 50 0 HHAAHN CN1CCC(NC(=O)c2cc(-c3ccco3)nc3onc(-c4ccccc4)c32)CC1 ZINC000013641648 558555741 /nfs/dbraw/zinc/55/57/41/558555741.db2.gz BUCLOAWADHPMAJ-UHFFFAOYSA-N 0 3 402.454 3.974 50 0 HHAAHN Cc1cccc(NC(=O)CC2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)c1 ZINC000023382388 558556065 /nfs/dbraw/zinc/55/60/65/558556065.db2.gz MBXFWKINGRXSJA-NRFANRHFSA-N 0 3 411.465 3.856 50 0 HHAAHN O=C(c1cc2nccc(-c3cc(Cl)cc(Cl)c3)n2n1)N1CCN2CCC[C@H]2C1 ZINC000013644673 558556182 /nfs/dbraw/zinc/55/61/82/558556182.db2.gz RAPUXRKISQDNHN-INIZCTEOSA-N 0 3 416.312 3.623 50 0 HHAAHN CN(C)CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)S2 ZINC000004466049 558593785 /nfs/dbraw/zinc/59/37/85/558593785.db2.gz UUMOZSZRPWNYRV-WOJGMQOQSA-N 0 3 401.919 3.717 50 0 HHAAHN COc1ccc(S(=O)(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)cc1 ZINC000024445216 558597783 /nfs/dbraw/zinc/59/77/83/558597783.db2.gz PHNSXLJEHJTGOP-UHFFFAOYSA-N 0 3 410.539 3.902 50 0 HHAAHN C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000010969244 558620123 /nfs/dbraw/zinc/62/01/23/558620123.db2.gz DOTRFBSLADDJJL-KRWDZBQOSA-N 0 3 400.544 3.567 50 0 HHAAHN CN(C)[C@@H](CNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000025419366 558640326 /nfs/dbraw/zinc/64/03/26/558640326.db2.gz CTEURORNABHDFN-ZEQRLZLVSA-N 0 3 415.537 3.967 50 0 HHAAHN Cc1cc(C)c(NC(=O)CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)c(C)c1 ZINC000026164329 558656836 /nfs/dbraw/zinc/65/68/36/558656836.db2.gz QLSKFUMQJRGMRI-UHFFFAOYSA-N 0 3 422.573 3.686 50 0 HHAAHN COCCN1C(=O)N(C)C(=O)C12CCN(Cc1cccc(-c3ccccc3C)c1)CC2 ZINC000014744646 558668511 /nfs/dbraw/zinc/66/85/11/558668511.db2.gz DVWBNZWIVKWKIR-UHFFFAOYSA-N 0 3 421.541 3.537 50 0 HHAAHN COc1cc(CN2C(=O)CC[C@H]2CCNCc2ccccc2F)cc(OC)c1OC ZINC000014976942 558689630 /nfs/dbraw/zinc/68/96/30/558689630.db2.gz XCFHZEZDZVVLIX-SFHVURJKSA-N 0 3 416.493 3.522 50 0 HHAAHN Cc1ccccc1CN1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CCC1=O ZINC000014998551 558696791 /nfs/dbraw/zinc/69/67/91/558696791.db2.gz VOWHZHHXUQTZJR-UHFFFAOYSA-N 0 3 419.569 3.856 50 0 HHAAHN CCN1CCN(C2(CNC(=O)c3ccc(Br)cc3)CCCCC2)CC1 ZINC000028293521 558698615 /nfs/dbraw/zinc/69/86/15/558698615.db2.gz VLFOYJWAIVWRRY-UHFFFAOYSA-N 0 3 408.384 3.519 50 0 HHAAHN CC(C)Cc1cc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccccc3F)C2)[nH]n1 ZINC000015065837 558708611 /nfs/dbraw/zinc/70/86/11/558708611.db2.gz BATPMYKPJUZJPZ-SFHVURJKSA-N 0 3 400.542 3.774 50 0 HHAAHN CC(C)Cc1cc(C(=O)N(C)C[C@H]2CCCN(CCc3ccccc3F)C2)[nH]n1 ZINC000015065838 558708680 /nfs/dbraw/zinc/70/86/80/558708680.db2.gz BATPMYKPJUZJPZ-GOSISDBHSA-N 0 3 400.542 3.774 50 0 HHAAHN O=C(CCC1CCN(Cc2c[nH]nc2C2CCCCC2)CC1)NC[C@@H]1CCCO1 ZINC000015068057 558710618 /nfs/dbraw/zinc/71/06/18/558710618.db2.gz OOSUNLBVPLJBJO-NRFANRHFSA-N 0 3 402.583 3.745 50 0 HHAAHN CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(Cc2cccc3nccnc23)C1 ZINC000015068892 558711416 /nfs/dbraw/zinc/71/14/16/558711416.db2.gz PCRNTDYZUZIJQI-HXUWFJFHSA-N 0 3 417.557 3.718 50 0 HHAAHN CCCN1CCN(CCCNC(=O)c2cc3cc4cc(C)ccc4nc3s2)CC1 ZINC000022937921 558723857 /nfs/dbraw/zinc/72/38/57/558723857.db2.gz PXXOGECQRUCJEM-UHFFFAOYSA-N 0 3 410.587 3.905 50 0 HHAAHN COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000016750753 558804559 /nfs/dbraw/zinc/80/45/59/558804559.db2.gz AOSFJTAYTCVOBQ-NRFANRHFSA-N 0 3 406.482 3.607 50 0 HHAAHN Cc1nn(C)cc1[C@@H](C)NC(=O)C1(N(C)Cc2ccccc2)Cc2ccccc2C1 ZINC000039461406 558821489 /nfs/dbraw/zinc/82/14/89/558821489.db2.gz QPZQNCUZKRYCRZ-GOSISDBHSA-N 0 3 402.542 3.575 50 0 HHAAHN CN(C)Cc1ccccc1CNC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000058394151 558923915 /nfs/dbraw/zinc/92/39/15/558923915.db2.gz UHDKYBIAJUMJEH-QGZVFWFLSA-N 0 3 400.954 3.727 50 0 HHAAHN O=C(c1ccc(OC2CCN(Cc3cccc4nonc43)CC2)cc1)N1CCCC1 ZINC000063848523 558959398 /nfs/dbraw/zinc/95/93/98/558959398.db2.gz KZKWDDZUXXCJBO-UHFFFAOYSA-N 0 3 406.486 3.502 50 0 HHAAHN FC(F)(F)Oc1ccc(CNc2nc(-c3ccncc3)nc3c2CCNC3)cc1 ZINC000067587336 558987288 /nfs/dbraw/zinc/98/72/88/558987288.db2.gz JLDCFLQJCYRYFE-UHFFFAOYSA-N 0 3 401.392 3.695 50 0 HHAAHN CN(Cc1nc(-c2cccs2)no1)C(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000067602193 558987881 /nfs/dbraw/zinc/98/78/81/558987881.db2.gz MSWHWUGADDRHGA-UHFFFAOYSA-N 0 3 414.506 3.808 50 0 HHAAHN Cc1ccc(-c2noc(CNC(=O)C3CCN(Cc4ccc(F)cc4)CC3)n2)cc1 ZINC000067622108 558989844 /nfs/dbraw/zinc/98/98/44/558989844.db2.gz QYASBIDFUNTFOW-UHFFFAOYSA-N 0 3 408.477 3.713 50 0 HHAAHN CN[C@@H](C)C(=O)Nc1nn(Cc2ccccc2)c2cccc(Oc3cccnc3)c12 ZINC000077407395 559004231 /nfs/dbraw/zinc/00/42/31/559004231.db2.gz HLJUHFPLMBGFBP-INIZCTEOSA-N 0 3 401.470 3.818 50 0 HHAAHN O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000247488613 559074240 /nfs/dbraw/zinc/07/42/40/559074240.db2.gz LRKYTJGKSXCYDT-UXHICEINSA-N 0 3 413.512 3.820 50 0 HHAAHN COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1nc3ccccc3s1)C2 ZINC000095364290 559080137 /nfs/dbraw/zinc/08/01/37/559080137.db2.gz YXQRBGUKEYMPBA-HMFYCAOWSA-N 0 3 401.576 3.640 50 0 HHAAHN Cc1nc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)nn1-c1ccc(Cl)cc1 ZINC000023741176 559179622 /nfs/dbraw/zinc/17/96/22/559179622.db2.gz XWLYOPOAYPIHQQ-FQEVSTJZSA-N 0 3 409.921 3.796 50 0 HHAAHN Cc1ccc(N(C[C@@H](O)CN2CCCC2)S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000005023649 559229769 /nfs/dbraw/zinc/22/97/69/559229769.db2.gz YQNSWKKNCPHEFU-QHCPKHFHSA-N 0 3 424.566 3.800 50 0 HHAAHN O=C(c1cnn(-c2ccccc2)c1-n1cccc1)N1CCN(C2CCCCC2)CC1 ZINC000005148843 559253092 /nfs/dbraw/zinc/25/30/92/559253092.db2.gz YVXJYIUEMAYNOJ-UHFFFAOYSA-N 0 3 403.530 3.754 50 0 HHAAHN Cc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NCCN(C)C)cc2)c1 ZINC000037557186 559255297 /nfs/dbraw/zinc/25/52/97/559255297.db2.gz IZJHVTOXTHCNFG-UHFFFAOYSA-N 0 3 421.585 3.939 50 0 HHAAHN CN1CCCN(c2ccc(CNC(=O)Nc3ccc(-c4nccs4)cc3)cn2)CC1 ZINC000065476951 559279560 /nfs/dbraw/zinc/27/95/60/559279560.db2.gz UTLVWQXNAGNJMQ-UHFFFAOYSA-N 0 3 422.558 3.669 50 0 HHAAHN CCC1CCC(N(CC(=O)N[C@H](C)C(=O)N(C)C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000078806159 560540714 /nfs/dbraw/zinc/54/07/14/560540714.db2.gz CWVNGBSHLZZPPF-NSSZEPTDSA-N 0 3 405.558 3.750 50 0 HHAAHN CO[C@H](C)c1noc(CCC(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)n1 ZINC000079018087 560541388 /nfs/dbraw/zinc/54/13/88/560541388.db2.gz ZQGZZGWVYBXAAN-QGZVFWFLSA-N 0 3 422.529 3.755 50 0 HHAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102713348 560823186 /nfs/dbraw/zinc/82/31/86/560823186.db2.gz PLEAKFUEZZZNQO-PWRODBHTSA-N 0 3 404.397 3.582 50 0 HHAAHN CN(C)CCN(Cc1ccccc1F)C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000047396282 560886644 /nfs/dbraw/zinc/88/66/44/560886644.db2.gz VEMRLXNUVHEICU-UHFFFAOYSA-N 0 3 407.873 3.846 50 0 HHAAHN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000048367995 568442126 /nfs/dbraw/zinc/44/21/26/568442126.db2.gz LLNICSWBFMRXIC-ZEQRLZLVSA-N 0 3 403.526 3.904 50 0 HHAAHN C[C@@H](NC(=O)CCN1Cc2ccccc2O[C@@H](C)C1)c1cnn(-c2ccccc2)c1 ZINC000216028628 568462945 /nfs/dbraw/zinc/46/29/45/568462945.db2.gz LEVBHEHWBXAUTO-RBUKOAKNSA-N 0 3 404.514 3.723 50 0 HHAAHN CCOc1cc2c(cc1CNC[C@@H](c1cccs1)N1CCN(C)CC1)O[C@H](C)C2 ZINC000022804340 568499795 /nfs/dbraw/zinc/49/97/95/568499795.db2.gz JNEXNZCUVPEBRT-XLIONFOSSA-N 0 3 415.603 3.549 50 0 HHAAHN CCOC(=O)C1=C(CN(C)C2CCCCC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020213969 568594451 /nfs/dbraw/zinc/59/44/51/568594451.db2.gz RPLZRBXZLWBDNL-LJQANCHMSA-N 0 3 405.926 3.776 50 0 HHAAHN CCOC(=O)C1C(CN(C)C2CCCCC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020213969 568594452 /nfs/dbraw/zinc/59/44/52/568594452.db2.gz RPLZRBXZLWBDNL-LJQANCHMSA-N 0 3 405.926 3.776 50 0 HHAAHN CCN(CC)[C@H](CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000040012819 568609242 /nfs/dbraw/zinc/60/92/42/568609242.db2.gz VPKBGAGPZUKNNV-HXUWFJFHSA-N 0 3 403.567 3.833 50 0 HHAAHN CC[C@H](O)CN1CCC(NC(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)CC1 ZINC000095443122 568611077 /nfs/dbraw/zinc/61/10/77/568611077.db2.gz WZYITKXFJSVTIT-FQEVSTJZSA-N 0 3 420.573 3.951 50 0 HHAAHN COc1cc(C=O)ccc1OCCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000096012361 568684736 /nfs/dbraw/zinc/68/47/36/568684736.db2.gz RNSCZKIJYGINCQ-NRFANRHFSA-N 0 3 410.514 3.538 50 0 HHAAHN O=C(c1ccc2ncnc(N3CCCCC3)c2c1)N1CCN(C2CCCCC2)CC1 ZINC000096399960 568694575 /nfs/dbraw/zinc/69/45/75/568694575.db2.gz AOJWEFHRUKIFAT-UHFFFAOYSA-N 0 3 407.562 3.711 50 0 HHAAHN CCN(CC)CCN(C(=O)c1ccno1)c1nc2c(s1)c(Cl)ccc2OC ZINC000012443841 568725035 /nfs/dbraw/zinc/72/50/35/568725035.db2.gz URIZUCUAWHOUAF-UHFFFAOYSA-N 0 3 408.911 3.935 50 0 HHAAHN Cc1cc(C(=O)Nc2cccc(CN3CCCC3)c2)ccc1-n1nnc2cccnc21 ZINC000021885689 568758441 /nfs/dbraw/zinc/75/84/41/568758441.db2.gz NOGDWGJJCCJZCH-UHFFFAOYSA-N 0 3 412.497 3.972 50 0 HHAAHN COc1ccc(NC(=O)[C@H]2C[C@H](C(C)C)N[C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000057143122 568824606 /nfs/dbraw/zinc/82/46/06/568824606.db2.gz DBUPSYZRCYMXNH-CDMIOBSGSA-N 0 3 413.905 3.769 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)CCc3nnc(-c4ccccc4)o3)c(C)c2)CC1 ZINC000029376270 568824918 /nfs/dbraw/zinc/82/49/18/568824918.db2.gz AVWBWCDHNQMMBN-UHFFFAOYSA-N 0 3 419.529 3.758 50 0 HHAAHN CC(C)(C)C(=O)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057314315 568826685 /nfs/dbraw/zinc/82/66/85/568826685.db2.gz LQWQLDFNIYXQNN-UHFFFAOYSA-N 0 3 410.587 3.868 50 0 HHAAHN CC[C@@H](C)c1ccc([C@H](NCC(=O)N2CCN(c3ncccn3)CC2)C(C)C)cc1 ZINC000057455975 568837817 /nfs/dbraw/zinc/83/78/17/568837817.db2.gz WCBDYUKMTXXBEI-AUSIDOKSSA-N 0 3 409.578 3.626 50 0 HHAAHN Cc1ccc(CNc2ncnc3sc(C(=O)N(C)C4CCN(C)CC4)c(C)c32)o1 ZINC000299760990 568873387 /nfs/dbraw/zinc/87/33/87/568873387.db2.gz QKDPJHULCMJTMV-UHFFFAOYSA-N 0 3 413.547 3.679 50 0 HHAAHN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC12CCN(Cc1ccc3c(c1)CCO3)CC2 ZINC000299794040 568876034 /nfs/dbraw/zinc/87/60/34/568876034.db2.gz IZLYMFGBCICAKV-IBGZPJMESA-N 0 3 406.482 3.591 50 0 HHAAHN COc1ccc2cc(CNCCc3ccc(F)cc3)c(N3CCC[C@H](CO)C3)nc2c1 ZINC000299796105 568876277 /nfs/dbraw/zinc/87/62/77/568876277.db2.gz NKTAIXLYAMSGHJ-IBGZPJMESA-N 0 3 423.532 3.924 50 0 HHAAHN CC(C)(C)OC(=O)N1CCc2cccc(CNCCNC(=O)c3cccs3)c21 ZINC000084200441 568944469 /nfs/dbraw/zinc/94/44/69/568944469.db2.gz QBCQRXWFSFXDIL-UHFFFAOYSA-N 0 3 401.532 3.565 50 0 HHAAHN CN(C)[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000012762626 568946452 /nfs/dbraw/zinc/94/64/52/568946452.db2.gz YTNINSKYLUCLTC-NRFANRHFSA-N 0 3 413.949 3.611 50 0 HHAAHN Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCCN1CCCCCC1 ZINC000015681642 568968173 /nfs/dbraw/zinc/96/81/73/568968173.db2.gz WVABVARXWZETFD-UHFFFAOYSA-N 0 3 409.509 3.716 50 0 HHAAHN Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)NCCN1CCCC[C@@H]1C ZINC000015731269 568981821 /nfs/dbraw/zinc/98/18/21/568981821.db2.gz RPYPSLADDHAIHQ-IBGZPJMESA-N 0 3 405.546 3.884 50 0 HHAAHN CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000012818774 568990651 /nfs/dbraw/zinc/99/06/51/568990651.db2.gz BYTCSAIVCXLBRQ-QFIPXVFZSA-N 0 3 408.546 3.614 50 0 HHAAHN Cc1ccccc1C(=O)N1CCC(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000012819218 568990881 /nfs/dbraw/zinc/99/08/81/568990881.db2.gz MPRVXBPCRIVKQZ-UHFFFAOYSA-N 0 3 419.569 3.628 50 0 HHAAHN O=C(NCCN1CCC(Cc2ccccc2)CC1)c1[nH]nc2c1CCc1ccccc1-2 ZINC000015772824 568998895 /nfs/dbraw/zinc/99/88/95/568998895.db2.gz QNWIFZYEETZQLD-UHFFFAOYSA-N 0 3 414.553 3.860 50 0 HHAAHN COc1ccc2c(c1)C[C@H](C(=O)NCC1CCN(Cc3ccc(C)cc3)CC1)CO2 ZINC000015786261 569007265 /nfs/dbraw/zinc/00/72/65/569007265.db2.gz CGBBNTVESNXEFA-QFIPXVFZSA-N 0 3 408.542 3.583 50 0 HHAAHN CCOCCCN[C@H](C)C(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC ZINC000006206903 569033084 /nfs/dbraw/zinc/03/30/84/569033084.db2.gz ADELDTMOYXWERG-OAHLLOKOSA-N 0 3 404.532 3.935 50 0 HHAAHN C[C@H](C(=O)NCCN1CCCC[C@@H]1C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035454070 569037857 /nfs/dbraw/zinc/03/78/57/569037857.db2.gz FMYKLAAJFBPSHC-OALUTQOASA-N 0 3 424.589 3.647 50 0 HHAAHN C[N@H+](Cc1ccccc1NC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)C1CCCCC1 ZINC000012984989 569047728 /nfs/dbraw/zinc/04/77/28/569047728.db2.gz XKZWAAQWULMDKT-UHFFFAOYSA-N 0 3 420.513 3.505 50 0 HHAAHN C[N@@H+](Cc1ccccc1NC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)C1CCCCC1 ZINC000012984989 569047729 /nfs/dbraw/zinc/04/77/29/569047729.db2.gz XKZWAAQWULMDKT-UHFFFAOYSA-N 0 3 420.513 3.505 50 0 HHAAHN Cc1csc(CCCNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)n1 ZINC000241170965 569054676 /nfs/dbraw/zinc/05/46/76/569054676.db2.gz KDEJBRWCAPVMCZ-IAGOWNOFSA-N 0 3 411.493 3.811 50 0 HHAAHN Cc1csc(CCCNC(=O)[C@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)n1 ZINC000241170964 569054736 /nfs/dbraw/zinc/05/47/36/569054736.db2.gz KDEJBRWCAPVMCZ-DLBZAZTESA-N 0 3 411.493 3.811 50 0 HHAAHN O[C@@H](COCc1ccccc1)CN(Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036103540 569092168 /nfs/dbraw/zinc/09/21/68/569092168.db2.gz CPDPHBGUCZSSQX-HSZRJFAPSA-N 0 3 405.494 3.995 50 0 HHAAHN CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)CN[C@@H](C)c3ccccc3)cc21 ZINC000006732826 569103996 /nfs/dbraw/zinc/10/39/96/569103996.db2.gz UOVFGADLIZZKCT-QFBILLFUSA-N 0 3 410.514 3.754 50 0 HHAAHN CC1=C(C(=O)NCCN2CCC(Cc3ccccc3)CC2)C2(CCCCC2)OC1=O ZINC000006772439 569117668 /nfs/dbraw/zinc/11/76/68/569117668.db2.gz FKSLRRIUAIBWGT-UHFFFAOYSA-N 0 3 410.558 3.634 50 0 biogenic HHAAHN CC(C)C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1Cc2ccccc2C1=O ZINC000006874276 569162592 /nfs/dbraw/zinc/16/25/92/569162592.db2.gz GATQKLATUMHZNQ-XMMPIXPASA-N 0 3 419.569 3.838 50 0 HHAAHN CC(C)Cn1cc(NC(=O)N(CCN(C)C)Cc2ccco2)c2ccccc2c1=O ZINC000007001144 569198835 /nfs/dbraw/zinc/19/88/35/569198835.db2.gz HZBVNBCDYAONET-UHFFFAOYSA-N 0 3 410.518 3.846 50 0 HHAAHN Cc1ccc2[nH]c(=O)c(CCC(=O)NC3CCN(Cc4ccccc4)CC3)cc2c1 ZINC000065245442 569205060 /nfs/dbraw/zinc/20/50/60/569205060.db2.gz YWNPWCOKFVHWLW-UHFFFAOYSA-N 0 3 403.526 3.962 50 0 HHAAHN CCOc1ccc(NC(=O)c2ccnc(N3CCN[C@@H](c4ccccc4)C3)c2)cc1 ZINC000065255972 569208002 /nfs/dbraw/zinc/20/80/02/569208002.db2.gz BKBHEVSXVXSFOX-JOCHJYFZSA-N 0 3 402.498 3.884 50 0 HHAAHN O=C(NCc1ccccc1Cl)c1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1 ZINC000065256165 569208202 /nfs/dbraw/zinc/20/82/02/569208202.db2.gz YSOREACJZDCMEQ-OAQYLSRUSA-N 0 3 406.917 3.816 50 0 HHAAHN O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000065512736 569233414 /nfs/dbraw/zinc/23/34/14/569233414.db2.gz ABYQXIBGBCPSGL-HXUWFJFHSA-N 0 3 410.537 3.616 50 0 HHAAHN CC1(CN2CCOCC2)CCN(CC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000089919465 569268659 /nfs/dbraw/zinc/26/86/59/569268659.db2.gz WMQAAHMMXDNMRN-UHFFFAOYSA-N 0 3 423.557 3.852 50 0 HHAAHN CN(CCOCCOc1ccc(I)cc1)Cc1ccccc1 ZINC000002821938 569278043 /nfs/dbraw/zinc/27/80/43/569278043.db2.gz RWMLLWGBGPKKOJ-UHFFFAOYSA-N 0 3 411.283 3.819 50 0 HHAAHN O=C(NC[C@H]1CCN(c2ccccc2)C1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000252458541 569286620 /nfs/dbraw/zinc/28/66/20/569286620.db2.gz QBRFUQOQKDMYFZ-WOJBJXKFSA-N 0 3 412.603 3.786 50 0 HHAAHN CC(=O)CCc1ccc(OCC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000170654881 569295469 /nfs/dbraw/zinc/29/54/69/569295469.db2.gz WJBOWKAXLZCAJA-WMZHIEFXSA-N 0 3 408.542 3.756 50 0 HHAAHN O=C(COc1ccc(Br)cc1)NC[C@H](c1cccs1)N1CCCC1 ZINC000007687165 569300815 /nfs/dbraw/zinc/30/08/15/569300815.db2.gz VZESHICASCYQEU-MRXNPFEDSA-N 0 3 409.349 3.843 50 0 HHAAHN Cc1cccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NCCN(C)C)cc2)c1 ZINC000037555968 569306378 /nfs/dbraw/zinc/30/63/78/569306378.db2.gz VYTSUGURDMIGHK-UHFFFAOYSA-N 0 3 419.525 3.655 50 0 HHAAHN O=C(COc1ccc(C(=O)c2ccccc2)cc1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000007792069 569310978 /nfs/dbraw/zinc/31/09/78/569310978.db2.gz ABBGAKFHMWXDHA-HSZRJFAPSA-N 0 3 414.505 3.687 50 0 HHAAHN O=C(NCCN1CCC(Cc2ccccc2)CC1)c1csc(-c2ccncc2)n1 ZINC000064667414 569326277 /nfs/dbraw/zinc/32/62/77/569326277.db2.gz CXWTYJSXOAYILC-UHFFFAOYSA-N 0 3 406.555 3.890 50 0 HHAAHN COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CCN1CCc2ccccc2C1 ZINC000002377366 569389623 /nfs/dbraw/zinc/38/96/23/569389623.db2.gz QWQNYINXGBLPIP-UHFFFAOYSA-N 0 3 411.889 3.995 50 0 HHAAHN C[C@@H]1C[C@H](N(C)C(=O)COc2ccc3cc(Br)ccc3c2)CCN1C ZINC000078870210 569421045 /nfs/dbraw/zinc/42/10/45/569421045.db2.gz OIOJDZZVRKWRCQ-RDTXWAMCSA-N 0 3 405.336 3.922 50 0 HHAAHN COC(=O)c1ccsc1N1CC[C@@H](N[C@@H](c2ccc(F)cc2)C2CCC2)C1=O ZINC000078953970 569422044 /nfs/dbraw/zinc/42/20/44/569422044.db2.gz FKYVRHSALSZXPX-QZTJIDSGSA-N 0 3 402.491 3.910 50 0 HHAAHN COc1ccc2c(CC(=O)NC[C@@H](c3cccc(OC)c3)N3CCCC3)coc2c1 ZINC000008778375 571118472 /nfs/dbraw/zinc/11/84/72/571118472.db2.gz JVVXDKRAZISNGS-QFIPXVFZSA-N 0 3 408.498 3.946 50 0 HHAAHN CCOc1ccc(NC(=O)c2ccc(N3CCN[C@@H](c4ccccc4)C3)nc2)cc1 ZINC000039229426 571122005 /nfs/dbraw/zinc/12/20/05/571122005.db2.gz JQRAULGZQNYDBS-JOCHJYFZSA-N 0 3 402.498 3.884 50 0 HHAAHN Clc1cc(CNC[C@@H](c2ccccc2)N2CCOCC2)cc2c1OCCCO2 ZINC000040062961 571147591 /nfs/dbraw/zinc/14/75/91/571147591.db2.gz PCFDXWUQYFTYJT-FQEVSTJZSA-N 0 3 402.922 3.664 50 0 HHAAHN Clc1cc(CNC[C@H](c2ccccc2)N2CCOCC2)cc2c1OCCCO2 ZINC000040062959 571147791 /nfs/dbraw/zinc/14/77/91/571147791.db2.gz PCFDXWUQYFTYJT-HXUWFJFHSA-N 0 3 402.922 3.664 50 0 HHAAHN COCCN(C[C@H]1CN(Cc2cccn2C)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000245280469 571222612 /nfs/dbraw/zinc/22/26/12/571222612.db2.gz RPICABBINFTRDJ-OFNKIYASSA-N 0 3 415.553 3.511 50 0 HHAAHN CN(C)[C@H](CNC(=O)C(=O)NCc1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000010333470 571300549 /nfs/dbraw/zinc/30/05/49/571300549.db2.gz CLXWFCKTOPBOOV-OAQYLSRUSA-N 0 3 409.917 3.529 50 0 HHAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)Cc1cccs1 ZINC000012072366 962233244 /nfs/dbraw/zinc/23/32/44/962233244.db2.gz BOHHSKHQPFPQTO-UHFFFAOYSA-N 0 3 416.587 3.686 50 0 HHAAHN COCCc1nc2ccc(C(=O)NC[C@H](c3ccccc3)N3CCCCC3)cc2o1 ZINC000012571338 962293376 /nfs/dbraw/zinc/29/33/76/962293376.db2.gz CEKBNQMKVLRQIG-OAQYLSRUSA-N 0 3 407.514 3.974 50 0 HHAAHN O=C(c1ccc(OC2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1)N1CCCC1 ZINC000012579074 962296867 /nfs/dbraw/zinc/29/68/67/962296867.db2.gz SJTJVRBKXONFAJ-UHFFFAOYSA-N 0 3 406.526 3.901 50 0 HHAAHN CCc1ccc([C@@H](CNC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)N(C)C)cc1 ZINC000012975330 962357435 /nfs/dbraw/zinc/35/74/35/962357435.db2.gz YWEMAOONTUSLNX-UUFSLDAJSA-N 0 3 405.542 3.808 50 0 HHAAHN COCCCN(C(=O)c1ccc(-c2ccccc2C)nc1N(C)C)C1CCN(C)CC1 ZINC000014975038 962617390 /nfs/dbraw/zinc/61/73/90/962617390.db2.gz BVMKGLYEBOQRNA-UHFFFAOYSA-N 0 3 424.589 3.696 50 0 HHAAHN O=C(/C=C\c1ccc(N2CCCC2=O)cc1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000096940639 969058474 /nfs/dbraw/zinc/05/84/74/969058474.db2.gz QMESPOBNCNYCAP-DBBZSVRUSA-N 0 3 409.555 3.841 50 0 HHAAHN CCN(CC)[C@@H](CNC(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccsc1 ZINC000031983239 520837939 /nfs/dbraw/zinc/83/79/39/520837939.db2.gz RVZMWBGVXPQMEH-QKLQHJQFSA-N 0 3 416.591 3.570 50 0 HHAAHN CCN1CCN(c2ccc(N[C@@H](C)C(=O)Nc3ccc(F)c(F)c3)c(C)c2)CC1 ZINC000032772071 521699342 /nfs/dbraw/zinc/69/93/42/521699342.db2.gz DJYSFKILSGLROD-INIZCTEOSA-N 0 3 402.489 3.854 50 0 HHAAHN CN(Cc1ccccc1NC(=O)c1cc2c([nH]c1=O)CCCC2=O)C1CCCCC1 ZINC000032754806 523379698 /nfs/dbraw/zinc/37/96/98/523379698.db2.gz UHKICWFUYYGYOL-UHFFFAOYSA-N 0 3 407.514 3.911 50 0 HHAAHN CN(C)C1(CNC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CCCCC1 ZINC000044308421 524037130 /nfs/dbraw/zinc/03/71/30/524037130.db2.gz BRRDDTZOEZCBDY-UHFFFAOYSA-N 0 3 414.571 3.655 50 0 HHAAHN CNC(=O)[C@@H]1C[C@H](NCc2cccc(Oc3ccccc3)c2)CN1Cc1ccccc1 ZINC000032507886 524089271 /nfs/dbraw/zinc/08/92/71/524089271.db2.gz UXEBXVVMVGINET-DHLKQENFSA-N 0 3 415.537 3.958 50 0 HHAAHN c1c(CNC[C@H]2COc3ccccc3O2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000032740383 526399931 /nfs/dbraw/zinc/39/99/31/526399931.db2.gz KVZMGTPGYMFIAD-QFIPXVFZSA-N 0 3 412.493 3.923 50 0 HHAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032899699 526492495 /nfs/dbraw/zinc/49/24/95/526492495.db2.gz OANSZYURNYWIGX-GGAORHGYSA-N 0 3 423.532 3.631 50 0 HHAAHN CCOc1ccccc1CN1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000000795500 557082816 /nfs/dbraw/zinc/08/28/16/557082816.db2.gz XQENKQDASGROHS-UHFFFAOYSA-N 0 3 421.585 3.642 50 0 HHAAHN COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000001530579 557271375 /nfs/dbraw/zinc/27/13/75/557271375.db2.gz OGHNVEJMJSYVRP-KRWDZBQOSA-N 0 3 406.482 3.738 50 0 aggregator,fda HHAAHN O=C(C1CC1)N1C[C@@H](c2cccc(F)c2)[C@@H](CN2CCN(c3ccccc3)CC2)C1 ZINC000034698400 557381020 /nfs/dbraw/zinc/38/10/20/557381020.db2.gz CGNJPKMWWWMXMP-URXFXBBRSA-N 0 3 407.533 3.600 50 0 HHAAHN COc1ccc(CNCCNC(=O)c2ccccc2F)cc1OCc1ccccc1 ZINC000002851271 557404586 /nfs/dbraw/zinc/40/45/86/557404586.db2.gz OPYARQHVTPSKEJ-UHFFFAOYSA-N 0 3 408.473 3.933 50 0 HHAAHN CC(C)CCn1c2ccccc2nc1N1CCC[C@@H](C(=O)NCCN2CCCC2)C1 ZINC000034906801 557474296 /nfs/dbraw/zinc/47/42/96/557474296.db2.gz IGHFWBVAXGDSBH-HXUWFJFHSA-N 0 3 411.594 3.511 50 0 HHAAHN CCN1CCC[C@@H]1CNC(=O)c1nc(CCc2ccccc2)n(-c2cccc(C)c2)n1 ZINC000034911795 557476389 /nfs/dbraw/zinc/47/63/89/557476389.db2.gz OWVSJKNKEJFUCX-JOCHJYFZSA-N 0 3 417.557 3.575 50 0 HHAAHN NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccc3oc4ccccc4c3c2)CC1 ZINC000004698370 557582770 /nfs/dbraw/zinc/58/27/70/557582770.db2.gz MKYGBJKJYWPJRH-UHFFFAOYSA-N 0 3 405.498 3.532 50 0 HHAAHN C[C@@H](O)c1ccc(-c2ccc(CNCCSc3nnnn3-c3ccccc3)o2)cc1 ZINC000007541274 557746319 /nfs/dbraw/zinc/74/63/19/557746319.db2.gz BSYWTMGXAUWCMW-MRXNPFEDSA-N 0 3 421.526 3.858 50 0 HHAAHN O[C@H](Cn1c2ccccc2c2c1CCCC2)CN1CCN(Cc2ccccc2)CC1 ZINC000019757971 558274948 /nfs/dbraw/zinc/27/49/48/558274948.db2.gz QRHHLEHVTPUDHI-QFIPXVFZSA-N 0 3 403.570 3.699 50 0 HHAAHN O=C(NC[C@H]1CCC2(CCN(Cc3ccccn3)CC2)O1)c1ccc(F)cc1Cl ZINC000011786664 558276112 /nfs/dbraw/zinc/27/61/12/558276112.db2.gz VSGURLKEPPHHPI-GOSISDBHSA-N 0 3 417.912 3.818 50 0 HHAAHN C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2 ZINC000011911346 558296941 /nfs/dbraw/zinc/29/69/41/558296941.db2.gz XBPHFAJUQINSHC-OAHLLOKOSA-N 0 3 421.526 3.635 50 0 HHAAHN COC(=O)c1sc2nc(C[N@H+](C)C(C)C)ccc2c1[N-]C(=O)c1cncs1 ZINC000011971575 558304999 /nfs/dbraw/zinc/30/49/99/558304999.db2.gz FCEVKPSVHNKPTI-UHFFFAOYSA-N 0 3 404.517 3.632 50 0 HHAAHN COC(=O)c1sc2nc(C[N@@H+](C)C(C)C)ccc2c1[N-]C(=O)c1cncs1 ZINC000011971575 558305001 /nfs/dbraw/zinc/30/50/01/558305001.db2.gz FCEVKPSVHNKPTI-UHFFFAOYSA-N 0 3 404.517 3.632 50 0 HHAAHN CN(C(=O)c1cnn(-c2ccccc2)c1)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000011999782 558307767 /nfs/dbraw/zinc/30/77/67/558307767.db2.gz OETAEOSXABOKHQ-HSZRJFAPSA-N 0 3 400.526 3.576 50 0 HHAAHN CCn1ncc(CN2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1C ZINC000020109474 558334782 /nfs/dbraw/zinc/33/47/82/558334782.db2.gz KQPOQBPHKVAOMU-JOCHJYFZSA-N 0 3 401.986 3.651 50 0 HHAAHN COCCCNCc1cc2cc(OC)c(OC)cc2n(Cc2ccc(C)cc2)c1=O ZINC000012157818 558340953 /nfs/dbraw/zinc/34/09/53/558340953.db2.gz UTFSVJUOAGMWOX-UHFFFAOYSA-N 0 3 410.514 3.502 50 0 HHAAHN CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(Cc2cccc(OCCO)c2)C1 ZINC000012210090 558353747 /nfs/dbraw/zinc/35/37/47/558353747.db2.gz LKILXATTWHWHQB-VWLOTQADSA-N 0 3 411.542 3.754 50 0 HHAAHN COCCNC(=O)c1cccc(OC2CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)c1 ZINC000012304046 558373340 /nfs/dbraw/zinc/37/33/40/558373340.db2.gz QRKPYEDKQBSPGJ-REWPJTCUSA-N 0 3 412.574 3.898 50 0 HHAAHN CC(=O)Nc1ccc(CN2CCC[C@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)cc1 ZINC000012306525 558375288 /nfs/dbraw/zinc/37/52/88/558375288.db2.gz OTAGIVVZHSLXFJ-FQEVSTJZSA-N 0 3 417.513 3.886 50 0 HHAAHN CCOc1cc2c(cc1OC)[C@@H](c1cccc(I)c1)NCC2 ZINC000020506555 558381786 /nfs/dbraw/zinc/38/17/86/558381786.db2.gz UPDPAIJDTMGEDP-GOSISDBHSA-N 0 3 409.267 3.934 50 0 HHAAHN CCN1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(C)cc2C)C1=O ZINC000020517980 558383031 /nfs/dbraw/zinc/38/30/31/558383031.db2.gz HJNRRLPQEFSWQY-NDWLXSOOSA-N 0 3 403.526 3.905 50 0 HHAAHN O=C(Nc1ccnn1C1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000012453694 558416662 /nfs/dbraw/zinc/41/66/62/558416662.db2.gz ODXLSAOQCAVKLT-UHFFFAOYSA-N 0 3 404.470 3.701 50 0 HHAAHN COCCCN(Cc1cccn1Cc1ccccc1)C[C@H](O)COCc1ccccc1 ZINC000004346776 558427611 /nfs/dbraw/zinc/42/76/11/558427611.db2.gz IZFDUTALZOIYRM-SANMLTNESA-N 0 3 422.569 3.953 50 0 HHAAHN COc1ccc(C(=O)N(C)CC2CCN(CCc3ccccc3OC)CC2)cc1F ZINC000012574914 558430640 /nfs/dbraw/zinc/43/06/40/558430640.db2.gz BMPQCIZWSKXOKA-UHFFFAOYSA-N 0 3 414.521 3.870 50 0 HHAAHN COCCNC(=O)c1ccc(OC2CCN(CCCC(F)(F)F)CC2)c(Cl)c1 ZINC000012594953 558437073 /nfs/dbraw/zinc/43/70/73/558437073.db2.gz XYICAYDVTUNJHY-UHFFFAOYSA-N 0 3 422.875 3.902 50 0 HHAAHN COc1ccc(CC(=O)N(C)[C@H]2CCCN(CCCc3ccccc3)C2)cc1OC ZINC000012702173 558448230 /nfs/dbraw/zinc/44/82/30/558448230.db2.gz JHUQQNTWLZEQLJ-QFIPXVFZSA-N 0 3 410.558 3.802 50 0 HHAAHN CCN(CC)[C@@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1ccccc1 ZINC000021807531 558450834 /nfs/dbraw/zinc/45/08/34/558450834.db2.gz XYHVSWJXZOASJB-FQEVSTJZSA-N 0 3 421.497 3.926 50 0 HHAAHN CN(C)Cc1ccccc1CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000012745963 558458142 /nfs/dbraw/zinc/45/81/42/558458142.db2.gz KPXNHULZNQUMOC-UHFFFAOYSA-N 0 3 418.541 3.505 50 0 HHAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccncc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000012971169 558488791 /nfs/dbraw/zinc/48/87/91/558488791.db2.gz LRKJNSYVFCUHII-VAMGGRTRSA-N 0 3 405.841 3.786 50 0 HHAAHN CCc1ccc([C@H](CNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)N(C)C)cc1 ZINC000022684591 558504353 /nfs/dbraw/zinc/50/43/53/558504353.db2.gz MUZLDWTVOFBNHH-IBGZPJMESA-N 0 3 402.922 3.635 50 0 HHAAHN CCOc1ccc(CN2CCN(Cc3cccc4cnccc43)C[C@@H]2CCO)cc1 ZINC000022852458 558517275 /nfs/dbraw/zinc/51/72/75/558517275.db2.gz MXOZGQXHQQEDIK-QHCPKHFHSA-N 0 3 405.542 3.702 50 0 HHAAHN COCc1cc(CN2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)ccc1OC ZINC000022914471 558521135 /nfs/dbraw/zinc/52/11/35/558521135.db2.gz YXPAOVPHNNTSEM-DEOSSOPVSA-N 0 3 409.574 3.628 50 0 HHAAHN COc1ccc2[nH]c(CN3CCN(Cc4ccccc4C)[C@@H](CCO)C3)c(C)c2c1 ZINC000023358162 558551472 /nfs/dbraw/zinc/55/14/72/558551472.db2.gz YUMOPPHCFNXVKE-NRFANRHFSA-N 0 3 407.558 3.862 50 0 HHAAHN CC(C)n1cc(CN2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)cn1 ZINC000023361125 558552114 /nfs/dbraw/zinc/55/21/14/558552114.db2.gz XVZZYMNHLIPKHA-QFIPXVFZSA-N 0 3 401.986 3.904 50 0 HHAAHN Cc1ccc(C)c(NC(=O)CC2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)c1 ZINC000023382239 558555805 /nfs/dbraw/zinc/55/58/05/558555805.db2.gz XZAKCVDHSDAXNK-LAUBAEHRSA-N 0 3 418.497 3.749 50 0 HHAAHN c1c2ccccc2oc1-c1nn(-c2ccccc2)cc1CNCCN1CCOCC1 ZINC000023479793 558559448 /nfs/dbraw/zinc/55/94/48/558559448.db2.gz HBDJNGRBXVARBW-UHFFFAOYSA-N 0 3 402.498 3.707 50 0 HHAAHN O=C(CCc1nc(-c2ccc(F)cc2)no1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000023740526 558572736 /nfs/dbraw/zinc/57/27/36/558572736.db2.gz APKLDFMHBHOALK-HXUWFJFHSA-N 0 3 408.477 3.762 50 0 HHAAHN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000072235916 558635335 /nfs/dbraw/zinc/63/53/35/558635335.db2.gz NKVOPFSWTHPADE-UHFFFAOYSA-N 0 3 418.335 3.530 50 0 HHAAHN COc1ccc([C@H](CNCc2cc(Br)ccc2F)N2CCOCC2)cc1 ZINC000025262014 558636077 /nfs/dbraw/zinc/63/60/77/558636077.db2.gz JXPXGHKXGVCQEC-FQEVSTJZSA-N 0 3 423.326 3.760 50 0 HHAAHN COc1ccc(COC[C@H](O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000014238442 558642587 /nfs/dbraw/zinc/64/25/87/558642587.db2.gz OALJIVLWVZBTOD-IFMALSPDSA-N 0 3 413.514 3.571 50 0 HHAAHN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000014239190 558642885 /nfs/dbraw/zinc/64/28/85/558642885.db2.gz AZBIKEUTFNSGNG-HSZRJFAPSA-N 0 3 419.525 3.668 50 0 HHAAHN COc1ccc(CN2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3CCC(C)C)cc1 ZINC000014531331 558656263 /nfs/dbraw/zinc/65/62/63/558656263.db2.gz MBYBIZYKOYDEGM-UHFFFAOYSA-N 0 3 401.551 3.749 50 0 HHAAHN CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccccc1)CC2 ZINC000014733473 558666148 /nfs/dbraw/zinc/66/61/48/558666148.db2.gz GBJCKEJYDCMEKP-UHFFFAOYSA-N 0 3 407.514 3.514 50 0 HHAAHN CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](NCc1ccccc1Cl)CC2 ZINC000014750344 558670578 /nfs/dbraw/zinc/67/05/78/558670578.db2.gz JFMQNFQHOLLNKH-INIZCTEOSA-N 0 3 412.921 3.586 50 0 HHAAHN CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccsc1)CC2 ZINC000014755920 558671990 /nfs/dbraw/zinc/67/19/90/558671990.db2.gz SUGRNIWERAXPPK-UHFFFAOYSA-N 0 3 412.559 3.598 50 0 HHAAHN c1c(COc2ccc(CNC[C@@H]3COc4ccccc4O3)cc2)nc2ccccn12 ZINC000027397946 558673115 /nfs/dbraw/zinc/67/31/15/558673115.db2.gz FDWJLFXCBYBYDM-OAQYLSRUSA-N 0 3 401.466 3.843 50 0 HHAAHN CN(C(=O)c1cc2ccccc2oc1=O)[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000014948433 558680220 /nfs/dbraw/zinc/68/02/20/558680220.db2.gz VXOUDUDNWRLPEQ-OAQYLSRUSA-N 0 3 404.510 3.962 50 0 HHAAHN Cc1cc(O[C@H](C)C(=O)NCC2(N3CCN(C)CC3)CCCCC2)cc(C)c1Cl ZINC000027742378 558680729 /nfs/dbraw/zinc/68/07/29/558680729.db2.gz UYQYOTLBWKLVPW-LJQANCHMSA-N 0 3 422.013 3.791 50 0 HHAAHN O=C(CCC1CCN(C(=O)C2=CCCCC2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000015072725 558713775 /nfs/dbraw/zinc/71/37/75/558713775.db2.gz ARJOCDVSDCPEHO-DEOSSOPVSA-N 0 3 423.601 3.896 50 0 HHAAHN O=C([C@H]1CCCN(Cc2ccco2)C1)N1CCc2[nH]nc(-c3ccccc3F)c2C1 ZINC000015074204 558714983 /nfs/dbraw/zinc/71/49/83/558714983.db2.gz XIFPQWJVHHULAQ-INIZCTEOSA-N 0 3 408.477 3.606 50 0 HHAAHN COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000071325837 558866277 /nfs/dbraw/zinc/86/62/77/558866277.db2.gz YVUFEZLYZUOAFD-REIDKSKDSA-N 0 3 405.498 3.582 50 0 HHAAHN Cc1ccc2n[nH]c(C(=O)N3CCC[C@@H](N4CCN(c5ccccc5C)CC4)C3)c2c1 ZINC000055090755 558872085 /nfs/dbraw/zinc/87/20/85/558872085.db2.gz PTSUEFBWPBOWQO-HXUWFJFHSA-N 0 3 417.557 3.607 50 0 HHAAHN CCCN1CCN(c2ncnc3sc(C(=O)Nc4ccc(F)cc4)c(C)c32)CC1 ZINC000033048371 558885645 /nfs/dbraw/zinc/88/56/45/558885645.db2.gz BUBQGWOFMPEOMC-UHFFFAOYSA-N 0 3 413.522 3.923 50 0 HHAAHN CCN(CC)[C@H](CNC(=O)C1=NN(c2cccc(C)c2)C(=O)CC1)c1ccsc1 ZINC000057986442 558892501 /nfs/dbraw/zinc/89/25/01/558892501.db2.gz IIQIZWIYHKCJSS-HXUWFJFHSA-N 0 3 412.559 3.739 50 0 HHAAHN Cc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)NCCN3CCCC[C@@H]3C)C2)nn1 ZINC000035397999 558893723 /nfs/dbraw/zinc/89/37/23/558893723.db2.gz UYAZVZQXNBLBRO-LEWJYISDSA-N 0 3 421.589 3.659 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)NCCO[C@@H]3CCCC[C@@H]3C)cc2C)CC1 ZINC000058109331 558899409 /nfs/dbraw/zinc/89/94/09/558899409.db2.gz NJFJDDUSOHOYLO-PGRDOPGGSA-N 0 3 402.583 3.854 50 0 HHAAHN CCOC(=O)C1C(CN2CCCCCCC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000058167072 558907325 /nfs/dbraw/zinc/90/73/25/558907325.db2.gz HSRYRNCPZDOBJJ-LJQANCHMSA-N 0 3 405.926 3.777 50 0 HHAAHN NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)CSc3ccccc3Cl)cc2)C1 ZINC000058300280 558917601 /nfs/dbraw/zinc/91/76/01/558917601.db2.gz YRKXYDMJNFFIQI-MRXNPFEDSA-N 0 3 417.962 3.768 50 0 HHAAHN CCCN(CCC)Cc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1CC ZINC000058337586 558920209 /nfs/dbraw/zinc/92/02/09/558920209.db2.gz YEWFLKVTJBWUHZ-UHFFFAOYSA-N 0 3 406.596 3.853 50 0 HHAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)n1 ZINC000065365469 558976417 /nfs/dbraw/zinc/97/64/17/558976417.db2.gz JDRGFNRVTPBCKZ-UHFFFAOYSA-N 0 3 412.513 3.577 50 0 HHAAHN CN(Cc1nc(-c2ccccc2)no1)C(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000067601944 558987662 /nfs/dbraw/zinc/98/76/62/558987662.db2.gz DFCSGQLGSPXDQK-UHFFFAOYSA-N 0 3 408.477 3.746 50 0 HHAAHN Cc1ccc(CN2CCC(C(=O)NCc3nc(-c4ccccc4C)no3)CC2)cc1 ZINC000067612775 558988882 /nfs/dbraw/zinc/98/88/82/558988882.db2.gz GLVYWMDAIKAPEW-UHFFFAOYSA-N 0 3 404.514 3.882 50 0 HHAAHN CN1CCC(Oc2ccc(CNS(=O)(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000067614294 558989516 /nfs/dbraw/zinc/98/95/16/558989516.db2.gz CPSZCKGKUZHLRI-UHFFFAOYSA-N 0 3 410.539 3.791 50 0 HHAAHN CCN1c2cc(C(=O)N3CCN(C4CCCCC4)CC3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000097087492 558991007 /nfs/dbraw/zinc/99/10/07/558991007.db2.gz CYJAAWZUFFUJMN-QHCPKHFHSA-N 0 3 424.589 3.569 50 0 HHAAHN Cc1ccc(CSc2nccc3c2ccn3CC(=O)NCCN2CCCC2)cc1 ZINC000033298603 559047920 /nfs/dbraw/zinc/04/79/20/559047920.db2.gz IZIMZBRVWBPZCB-UHFFFAOYSA-N 0 3 408.571 3.849 50 0 HHAAHN O=C(c1ccc(-c2nccnc2N2CCCC2)cc1)N1CCN(C2CCCCC2)CC1 ZINC000033313066 559055083 /nfs/dbraw/zinc/05/50/83/559055083.db2.gz PCUWDLAKPHAXGG-UHFFFAOYSA-N 0 3 419.573 3.834 50 0 HHAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3cccnc3)=NN12 ZINC000005033790 559231778 /nfs/dbraw/zinc/23/17/78/559231778.db2.gz QOYKQVGGUNBOMR-GOSISDBHSA-N 0 3 413.319 3.810 50 0 HHAAHN Cc1ccc(CN(C(=O)c2ccco2)c2cccc(CC(=O)NCCN(C)C)c2)cc1 ZINC000037601475 559255673 /nfs/dbraw/zinc/25/56/73/559255673.db2.gz PSISQNXVZMSPAI-UHFFFAOYSA-N 0 3 419.525 3.655 50 0 HHAAHN COCC(=O)N(CC(C)C)C[C@H]1CN(Cc2cccn2C)C[C@H]1c1cccc(F)c1 ZINC000248156267 559265738 /nfs/dbraw/zinc/26/57/38/559265738.db2.gz VTNILQFEDOEAIB-OFNKIYASSA-N 0 3 415.553 3.511 50 0 HHAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000137754379 559280914 /nfs/dbraw/zinc/28/09/14/559280914.db2.gz AJAPTWKTHVPRHV-BHDDXSALSA-N 0 3 418.424 3.885 50 0 HHAAHN OC1CCN(Cc2cccc(NCc3cccc(OCCn4ccnc4)c3)c2)CC1 ZINC000078869790 560540487 /nfs/dbraw/zinc/54/04/87/560540487.db2.gz BDDVIAGIKQNYLK-UHFFFAOYSA-N 0 3 406.530 3.531 50 0 HHAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccs4)[C@@H]3C2=O)c1 ZINC000102861405 560831861 /nfs/dbraw/zinc/83/18/61/560831861.db2.gz CXQYYROFFWGQCQ-SLFFLAALSA-N 0 3 406.463 3.808 50 0 aggregator HHAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000103019882 560836782 /nfs/dbraw/zinc/83/67/82/560836782.db2.gz QKCWRQZHQLQNEA-PCCBWWKXSA-N 0 3 404.422 3.729 50 0 HHAAHN CCN(C(=O)Nc1ccc(N2CCOCC2)nc1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000106924946 560894548 /nfs/dbraw/zinc/89/45/48/560894548.db2.gz XSLRBRZZVPLYQG-DENIHFKCSA-N 0 3 423.561 3.608 50 0 HHAAHN CCOc1ccc(CN(Cc2cc(=O)n3nc(CC)sc3n2)CC(C)C)cc1 ZINC000046032485 568424768 /nfs/dbraw/zinc/42/47/68/568424768.db2.gz DVYOFASIWAVZQT-UHFFFAOYSA-N 0 3 400.548 3.770 50 0 HHAAHN COc1cccc(OC)c1C(=O)C1CC(=O)Nc2c1c(C)nn2-c1ccc(F)cc1 ZINC000046057639 568426194 /nfs/dbraw/zinc/42/61/94/568426194.db2.gz GTXHTHVXWNUFEG-OAHLLOKOSA-N 0 3 409.417 3.646 50 0 HHAAHN COc1cc([C@H](C)NCc2ccc(OCc3cscn3)cc2)ccc1OCCO ZINC000048341026 568440404 /nfs/dbraw/zinc/44/04/04/568440404.db2.gz FIXHQPTVTXFIHC-INIZCTEOSA-N 0 3 414.527 3.953 50 0 HHAAHN Cc1ccc(Cl)cc1NC(=O)[C@H](C)NC[C@H](c1cccs1)N1CCOCC1 ZINC000095399572 568604829 /nfs/dbraw/zinc/60/48/29/568604829.db2.gz LQDHRARTHKTZLT-MAUKXSAKSA-N 0 3 407.967 3.700 50 0 HHAAHN COc1cc(-c2noc(CN(C(C)C)[C@@H]3CCCC[C@@H]3O)n2)ccc1OC(F)F ZINC000095435057 568609559 /nfs/dbraw/zinc/60/95/59/568609559.db2.gz MFWWLKNNZOSBRR-CABCVRRESA-N 0 3 411.449 3.861 50 0 HHAAHN C[C@H]1C[C@H](C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)CCC1=O ZINC000095447030 568612261 /nfs/dbraw/zinc/61/22/61/568612261.db2.gz QMIZSJPTEGBPQM-PZJWPPBQSA-N 0 3 405.542 3.953 50 0 HHAAHN Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)NCCc1nccn1C(F)F ZINC000095450997 568614534 /nfs/dbraw/zinc/61/45/34/568614534.db2.gz GUMZWAVDCANIAZ-ZDUSSCGKSA-N 0 3 409.481 3.900 50 0 HHAAHN Cc1ccc2c(c1)-c1onc(C(=O)NCCCN3CCc4ccccc4C3)c1CO2 ZINC000020509950 568620870 /nfs/dbraw/zinc/62/08/70/568620870.db2.gz ASFBQLYRPFXKEQ-UHFFFAOYSA-N 0 3 403.482 3.721 50 0 HHAAHN O=C1Nc2cc(Br)ccc2[C@H]1CN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000095997225 568679155 /nfs/dbraw/zinc/67/91/55/568679155.db2.gz ZZWMEUORAUBYTE-DOTOQJQBSA-N 0 3 405.292 3.759 50 0 HHAAHN CC1CCN(C[C@H](O)COc2ccc(Br)cc2Br)CC1 ZINC000012420320 568720460 /nfs/dbraw/zinc/72/04/60/568720460.db2.gz AFHXIRKJGRAZMB-ZDUSSCGKSA-N 0 3 407.146 3.683 50 0 HHAAHN CC(=O)Nc1ccc(-c2cc(C(=O)NCCN3CCCC3)c3ccccc3n2)cc1 ZINC000021662891 568736250 /nfs/dbraw/zinc/73/62/50/568736250.db2.gz NXRZWTJYWFKYJU-UHFFFAOYSA-N 0 3 402.498 3.686 50 0 HHAAHN CCn1ccc2sc(C)c(C(=O)NC3CCN(Cc4ccccc4)CC3)c2c1=O ZINC000097161497 568769148 /nfs/dbraw/zinc/76/91/48/568769148.db2.gz XFNUPQXRCWLRKM-UHFFFAOYSA-N 0 3 409.555 3.786 50 0 HHAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4F)[C@@H]3C2=O)c1 ZINC000230047538 568804464 /nfs/dbraw/zinc/80/44/64/568804464.db2.gz VVZSTPFSPDKUIM-BHDDXSALSA-N 0 3 418.424 3.885 50 0 HHAAHN CN1CCN(CCCNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000056903292 568821092 /nfs/dbraw/zinc/82/10/92/568821092.db2.gz KWNJDAAJXUHYPI-AABGKKOBSA-N 0 3 411.512 3.850 50 0 HHAAHN COc1ccc(NC(=O)[C@H]2C[C@H](C(C)C)N[C@]23C(=O)Nc2ccc(Cl)cc23)cc1 ZINC000057099767 568824115 /nfs/dbraw/zinc/82/41/15/568824115.db2.gz FKTVMWWFWZQARA-JUXOCIIHSA-N 0 3 413.905 3.769 50 0 HHAAHN C[C@@H]1CCCCN1CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 ZINC000230075859 568831418 /nfs/dbraw/zinc/83/14/18/568831418.db2.gz WAZDEYWLRCMYRY-CZAAIQMYSA-N 0 3 411.571 3.649 50 0 HHAAHN O=C(C1[C@H](c2ccc(Cl)cc2)NC(=S)N[C@@]1(O)c1cccs1)C(F)(F)F ZINC000003175699 568859739 /nfs/dbraw/zinc/85/97/39/568859739.db2.gz URVYXSNHCSJDJP-SLEUVZQESA-N 0 3 420.865 3.513 50 0 HHAAHN CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)CNC(C)(C)C)ccc1Cl ZINC000012599788 568869695 /nfs/dbraw/zinc/86/96/95/568869695.db2.gz KGIMGNPPLXKLLI-UHFFFAOYSA-N 0 3 423.966 3.882 50 0 HHAAHN CCCCn1cnc2sc3c(c2c1=O)CC[C@H](NCc1cn2cc(C)ccc2n1)C3 ZINC000299768134 568873900 /nfs/dbraw/zinc/87/39/00/568873900.db2.gz GKPNNWHLTJIBRE-INIZCTEOSA-N 0 3 421.570 3.861 50 0 HHAAHN O=S(=O)(c1cccs1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1 ZINC000217591585 568895629 /nfs/dbraw/zinc/89/56/29/568895629.db2.gz DSVYYOKLMDDGDF-UHFFFAOYSA-N 0 3 424.563 3.584 50 0 HHAAHN CCc1ccc([C@H](NCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C(C)C)cc1 ZINC000083823592 568917703 /nfs/dbraw/zinc/91/77/03/568917703.db2.gz FBHYLITXKCFZDP-OAQYLSRUSA-N 0 3 406.523 3.717 50 0 HHAAHN Cc1noc(C)c1COc1ccc(CC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000007985682 568964564 /nfs/dbraw/zinc/96/45/64/568964564.db2.gz LEHLLFRASBBRPG-QFIPXVFZSA-N 0 3 419.525 3.804 50 0 HHAAHN Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCCN1CCCC[C@@H]1C ZINC000015681644 568968164 /nfs/dbraw/zinc/96/81/64/568968164.db2.gz CKMVAMCFAFFNPL-KRWDZBQOSA-N 0 3 409.509 3.715 50 0 HHAAHN Cc1ccc2c(c1)CN(CCC(=O)N1CCC([C@@H](O)c3ccccc3)CC1)C[C@H](C)O2 ZINC000011841875 568987225 /nfs/dbraw/zinc/98/72/25/568987225.db2.gz XPTRGIZHCYWHAA-FNZWTVRRSA-N 0 3 422.569 3.940 50 0 HHAAHN Cc1oc(-c2ccc(C(=O)NCCN(C)C)cc2)nc1CN1CCc2ccccc21 ZINC000015785944 569006746 /nfs/dbraw/zinc/00/67/46/569006746.db2.gz HYTRBVXQLFENLU-UHFFFAOYSA-N 0 3 404.514 3.504 50 0 HHAAHN COc1ccc2c(c1)C=C(C(=O)NCCN1CCC(Cc3ccccc3)CC1)CO2 ZINC000015786322 569007534 /nfs/dbraw/zinc/00/75/34/569007534.db2.gz MFKOSKKNKCDLJH-UHFFFAOYSA-N 0 3 406.526 3.542 50 0 HHAAHN CC(C)(C)CN1CCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C[C@H]1CCO ZINC000104367791 569008546 /nfs/dbraw/zinc/00/85/46/569008546.db2.gz UYRROJFNQPSPQD-HXUWFJFHSA-N 0 3 402.970 3.712 50 0 HHAAHN Cc1cccc(CN2CCC3(CC2)N=C(c2ccc(Br)cc2)C(=O)N3)c1 ZINC000035430989 569037012 /nfs/dbraw/zinc/03/70/12/569037012.db2.gz DBIFBLYMZJDISQ-UHFFFAOYSA-N 0 3 412.331 3.669 50 0 HHAAHN Cc1ccc(C)c(CN(Cc2nc(C(=O)NCCN(C)C)co2)Cc2ccccc2)c1 ZINC000036073737 569086869 /nfs/dbraw/zinc/08/68/69/569086869.db2.gz ZRQSHAKUDLWBEU-UHFFFAOYSA-N 0 3 420.557 3.785 50 0 HHAAHN Cc1ccc(NC(=O)N2CCC(CC(=O)NCCN3CCCCCC3)CC2)cc1 ZINC000064847200 569108299 /nfs/dbraw/zinc/10/82/99/569108299.db2.gz AHQBZXNCRSNVAP-UHFFFAOYSA-N 0 3 400.567 3.621 50 0 HHAAHN CC1CCN(CCNC(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)CC1 ZINC000064919448 569120847 /nfs/dbraw/zinc/12/08/47/569120847.db2.gz IVRXYAMLBWMDFW-UHFFFAOYSA-N 0 3 407.493 3.535 50 0 HHAAHN O=C(NCCN1CCCCCC1)c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1 ZINC000064919443 569120885 /nfs/dbraw/zinc/12/08/85/569120885.db2.gz XCPXQVXNVVXBFC-UHFFFAOYSA-N 0 3 407.493 3.679 50 0 HHAAHN C[C@@H]1CCCCN1CCNC(=O)CC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 ZINC000065136471 569183387 /nfs/dbraw/zinc/18/33/87/569183387.db2.gz NBYGLADCNQZALG-MOPGFXCFSA-N 0 3 418.557 3.840 50 0 HHAAHN C[C@H]1CCCCN1CCNC(=O)CC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 ZINC000065136474 569183407 /nfs/dbraw/zinc/18/34/07/569183407.db2.gz NBYGLADCNQZALG-OALUTQOASA-N 0 3 418.557 3.840 50 0 HHAAHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000065474276 569231211 /nfs/dbraw/zinc/23/12/11/569231211.db2.gz SHTFPMVMGLVGSN-VNHYZAJKSA-N 0 3 419.360 3.614 50 0 HHAAHN CCCN1CCN(c2ccc(NC(=O)COc3ccccc3F)c(OCC)c2)CC1 ZINC000170606083 569244391 /nfs/dbraw/zinc/24/43/91/569244391.db2.gz WGGDMXUEFVQZJK-UHFFFAOYSA-N 0 3 415.509 3.774 50 0 HHAAHN COc1cc(C(C)=O)ccc1OCC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000170629025 569250749 /nfs/dbraw/zinc/25/07/49/569250749.db2.gz YXAJIHDEMYCKBQ-QGZVFWFLSA-N 0 3 410.514 3.618 50 0 HHAAHN Cc1cccc(N2CCN(CCCCNC(=O)c3ccnc(Cl)c3F)CC2)c1 ZINC000089672751 569262232 /nfs/dbraw/zinc/26/22/32/569262232.db2.gz JUSYQBFRPWKHLC-UHFFFAOYSA-N 0 3 404.917 3.515 50 0 HHAAHN CC[C@](C)(COc1ncccc1Cl)NCC(=O)N(C)Cc1ccccc1OC ZINC000089942107 569269380 /nfs/dbraw/zinc/26/93/80/569269380.db2.gz RLJCBWXLEYHIRN-OAQYLSRUSA-N 0 3 405.926 3.539 50 0 HHAAHN COCCn1c(C)cc(O)c([C@H](c2cccc(Cl)c2)N2CCC(C)CC2)c1=O ZINC000016993370 569270894 /nfs/dbraw/zinc/27/08/94/569270894.db2.gz ZEQNIIMYVLUAGM-NRFANRHFSA-N 0 3 404.938 3.983 50 0 HHAAHN CC(C)(C)c1ccc(C(=O)NCC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000027605944 569375988 /nfs/dbraw/zinc/37/59/88/569375988.db2.gz KJFWBSJRQGPDSB-IBGZPJMESA-N 0 3 413.587 3.729 50 0 HHAAHN CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OC)c1 ZINC000002421781 569398196 /nfs/dbraw/zinc/39/81/96/569398196.db2.gz KZBOAUAIAGOSIR-NRFANRHFSA-N 0 3 406.482 3.689 50 0 HHAAHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000079046114 569425109 /nfs/dbraw/zinc/42/51/09/569425109.db2.gz SIXCHSTYCOPRDB-AVRDEDQJSA-N 0 3 421.545 3.591 50 0 HHAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000238881696 571046647 /nfs/dbraw/zinc/04/66/47/571046647.db2.gz BBDZXTPMYXECLD-VAMGGRTRSA-N 0 3 406.463 3.808 50 0 HHAAHN O=C(NCCN1CCCC[C@@H]1CO)c1ccccc1SCc1ccc(F)cc1 ZINC000670473389 571105856 /nfs/dbraw/zinc/10/58/56/571105856.db2.gz MVCVYKBXPNDQLF-LJQANCHMSA-N 0 3 402.535 3.695 50 0 HHAAHN COc1ccc(OCCCN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000008879886 571131395 /nfs/dbraw/zinc/13/13/95/571131395.db2.gz JBTWVEODIWLHDH-UHFFFAOYSA-N 0 3 412.486 3.544 50 0 HHAAHN Cc1ccc(-n2cnnc2SCC(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)cc1 ZINC000040089266 571159108 /nfs/dbraw/zinc/15/91/08/571159108.db2.gz FIMYMRSZNFTOFW-FQEVSTJZSA-N 0 3 415.607 3.541 50 0 HHAAHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)NCc1ccc2c(c1)OCO2 ZINC000040150038 571198480 /nfs/dbraw/zinc/19/84/80/571198480.db2.gz BMDFZRATMIRXRR-QFIPXVFZSA-N 0 3 409.530 3.688 50 0 HHAAHN COc1ccc(-n2cc(C(=O)NCCN3CCCC[C@H]3C)c3ccccc3c2=O)cc1 ZINC000009433772 571258598 /nfs/dbraw/zinc/25/85/98/571258598.db2.gz MYHKXXARHDPVAU-GOSISDBHSA-N 0 3 419.525 3.604 50 0 HHAAHN COC(=O)c1cccc(OC[C@@H](O)CN(C)C(c2ccccc2)c2ccccc2)c1 ZINC000009513310 571264560 /nfs/dbraw/zinc/26/45/60/571264560.db2.gz UFNSBUCSEMSOOD-QFIPXVFZSA-N 0 3 405.494 3.934 50 0 HHAAHN CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)c1nc2c(cccc2F)s1 ZINC000070973680 571283932 /nfs/dbraw/zinc/28/39/32/571283932.db2.gz UOBPMUPQULRMTE-UHFFFAOYSA-N 0 3 412.534 3.652 50 0 HHAAHN C[C@@H](NCc1ccccc1CN1CCOCC1)C(=O)Nc1cccc2ccccc21 ZINC000009753466 571284274 /nfs/dbraw/zinc/28/42/74/571284274.db2.gz ZMMANBFQEOMRIA-LJQANCHMSA-N 0 3 403.526 3.789 50 0 HHAAHN C[C@@H](CNC(=O)CN1CCCCC1)Oc1cccc(CN(C)Cc2ccsc2)c1 ZINC000011783223 962188934 /nfs/dbraw/zinc/18/89/34/962188934.db2.gz MFHYMMHOTKVIML-IBGZPJMESA-N 0 3 415.603 3.750 50 0 HHAAHN CCCC[C@H]1CN(CCC(=O)NCc2cn3ccccc3n2)Cc2ccccc2O1 ZINC000012244175 962257498 /nfs/dbraw/zinc/25/74/98/962257498.db2.gz JFXLYMAPSWZBQO-NRFANRHFSA-N 0 3 406.530 3.794 50 0 HHAAHN Fc1cc(F)cc(-n2ncc3c2CCC[C@@H]3NCc2cccn2-c2ncccn2)c1 ZINC000012596888 962299011 /nfs/dbraw/zinc/29/90/11/962299011.db2.gz XYBJPKOHONQJQX-FQEVSTJZSA-N 0 3 406.440 3.898 50 0 HHAAHN CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(-c3ccco3)cc1)CC2 ZINC000014950512 962612992 /nfs/dbraw/zinc/61/29/92/962612992.db2.gz SLARTPYQDGFRHH-OAQYLSRUSA-N 0 3 421.545 3.820 50 0 HHAAHN CN(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCc1nc2ccccc2[nH]1 ZINC000020868376 963399000 /nfs/dbraw/zinc/39/90/00/963399000.db2.gz UIGYGHZTUFLJOZ-UHFFFAOYSA-N 0 3 414.509 3.987 50 0 HHAAHN CN(Cc1nccs1)Cc1ccc(OC[C@@H](O)CN(C)Cc2ccccc2)cc1 ZINC000055195679 965781188 /nfs/dbraw/zinc/78/11/88/965781188.db2.gz TYTDMXQGAITOOJ-NRFANRHFSA-N 0 3 411.571 3.647 50 0 HHAAHN CN(Cc1nccs1)Cc1ccc(OC[C@H](O)CN(C)Cc2ccccc2)cc1 ZINC000055195675 965781566 /nfs/dbraw/zinc/78/15/66/965781566.db2.gz TYTDMXQGAITOOJ-OAQYLSRUSA-N 0 3 411.571 3.647 50 0 HHAAHN CCN1CCN(c2ccc(N[C@H](C)C(=O)Nc3ccc(C(C)=O)cc3)c(C)c2)CC1 ZINC000032772038 521699352 /nfs/dbraw/zinc/69/93/52/521699352.db2.gz RNRANYSOQMSCJY-GOSISDBHSA-N 0 3 408.546 3.779 50 0 HHAAHN CC[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856969 522363406 /nfs/dbraw/zinc/36/34/06/522363406.db2.gz WCCOUMUDNAYZBC-QFIPXVFZSA-N 0 3 414.571 3.570 50 0 HHAAHN CN(C[C@@H](O)COC(c1ccccc1)c1ccccc1)C[C@@H]1COc2ccccc2O1 ZINC000032686444 523019328 /nfs/dbraw/zinc/01/93/28/523019328.db2.gz HCPYGECYHALWDB-DHIUTWEWSA-N 0 3 419.521 3.925 50 0 HHAAHN CCc1ccc([C@@H](CNC(=O)CSCC(=O)Nc2ccc(C)cc2)N(C)C)cc1 ZINC000032733175 524029535 /nfs/dbraw/zinc/02/95/35/524029535.db2.gz KRASWHYYRRYMAB-OAQYLSRUSA-N 0 3 413.587 3.648 50 0 HHAAHN Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@@H](CN(C)C)[C@H](O)c1ccccc1 ZINC000043494837 525061193 /nfs/dbraw/zinc/06/11/93/525061193.db2.gz UJROFVZGGBHNRR-NZQKXSOJSA-N 0 3 410.562 3.628 50 0 HHAAHN Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCC(N4CCCCC4)CC3)c2)on1 ZINC000020580269 526039039 /nfs/dbraw/zinc/03/90/39/526039039.db2.gz NDZYMJNHAOGLGF-UHFFFAOYSA-N 0 3 403.548 3.597 50 0 HHAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032899700 526492628 /nfs/dbraw/zinc/49/26/28/526492628.db2.gz OANSZYURNYWIGX-GMAHTHKFSA-N 0 3 423.532 3.631 50 0 HHAAHN CCN1CCN(c2ccc(N[C@@H](C)C(=O)Nc3cc(F)ccc3F)c(C)c2)CC1 ZINC000012544434 535747978 /nfs/dbraw/zinc/74/79/78/535747978.db2.gz WXMSJORXFWJBRA-INIZCTEOSA-N 0 3 402.489 3.854 50 0 HHAAHN CCOc1cc(CNC(C)C)c(Cl)cc1OCC(=O)NCCc1ccccc1 ZINC000002741084 557375401 /nfs/dbraw/zinc/37/54/01/557375401.db2.gz MKMRCTHXCLFKSG-UHFFFAOYSA-N 0 3 404.938 3.974 50 0 HHAAHN O=C(COc1ccccc1)Nc1ccc(N2CCCN(Cc3cccs3)CC2)nc1 ZINC000034681985 557383994 /nfs/dbraw/zinc/38/39/94/557383994.db2.gz OJZRJPOVYSQSQK-UHFFFAOYSA-N 0 3 422.554 3.873 50 0 HHAAHN CCOc1ccccc1N1C(=O)C[C@@H](NCCc2c[nH]c3ccc(Cl)cc23)C1=O ZINC000005274587 557642948 /nfs/dbraw/zinc/64/29/48/557642948.db2.gz BOPISWQPFYPLPU-GOSISDBHSA-N 0 3 411.889 3.684 50 0 HHAAHN COCCNC(=O)c1cccc(OC2CCN(Cc3cn(C)c4ccccc34)CC2)c1 ZINC000011668038 558269700 /nfs/dbraw/zinc/26/97/00/558269700.db2.gz ICSMBUXWSQQWAD-UHFFFAOYSA-N 0 3 421.541 3.598 50 0 HHAAHN Cc1ccc(CN2CCC(=O)N(Cc3cc4c(cc3Cl)OCO4)CC2)c(C)c1 ZINC000011788709 558276853 /nfs/dbraw/zinc/27/68/53/558276853.db2.gz UPWQQFOMBKJQLR-UHFFFAOYSA-N 0 3 400.906 3.920 50 0 HHAAHN Cc1c(CN2CCC3(C[C@@H]3C(=O)NCC3(c4ccccc4)CCCC3)CC2)cnn1C ZINC000011838749 558285609 /nfs/dbraw/zinc/28/56/09/558285609.db2.gz AEUHSIFOSQAFKF-HSZRJFAPSA-N 0 3 420.601 3.959 50 0 HHAAHN C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2 ZINC000011911347 558296915 /nfs/dbraw/zinc/29/69/15/558296915.db2.gz XBPHFAJUQINSHC-HNNXBMFYSA-N 0 3 421.526 3.635 50 0 HHAAHN COc1ccc(CN2CCC3(C[C@@H]3C(=O)NCCc3ccccc3)CC2)c(OC)c1C ZINC000012055918 558315838 /nfs/dbraw/zinc/31/58/38/558315838.db2.gz NDDVSGZNOFDRNH-JOCHJYFZSA-N 0 3 422.569 3.973 50 0 HHAAHN O=C(NCCN1CCC[C@H](c2ccccc2)C1)c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000012090955 558324246 /nfs/dbraw/zinc/32/42/46/558324246.db2.gz SAENULSHNODELC-FQEVSTJZSA-N 0 3 423.948 3.589 50 0 HHAAHN COc1ccccc1/C=C/CN1CCC2(C[C@@H]2C(=O)NCc2cccc(C)n2)CC1 ZINC000012135943 558333839 /nfs/dbraw/zinc/33/38/39/558333839.db2.gz OTMLJAHXNUWWMZ-MECCDNJOSA-N 0 3 405.542 3.830 50 0 HHAAHN CCn1cc(CN2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 ZINC000020209412 558347083 /nfs/dbraw/zinc/34/70/83/558347083.db2.gz ACZGIABLTCIOOI-OAQYLSRUSA-N 0 3 421.511 3.708 50 0 HHAAHN COc1ccc(N[C@@H]2CCCN(C(=O)C3(N4CCCC4)CCCC3)C2)cc1OC ZINC000012208190 558353334 /nfs/dbraw/zinc/35/33/34/558353334.db2.gz HUOUZBWVVYUVTD-LJQANCHMSA-N 0 3 401.551 3.515 50 0 HHAAHN COc1ccc(N[C@H]2CCCN(C(=O)C3(N4CCCC4)CCCC3)C2)cc1OC ZINC000012208197 558353338 /nfs/dbraw/zinc/35/33/38/558353338.db2.gz HUOUZBWVVYUVTD-IBGZPJMESA-N 0 3 401.551 3.515 50 0 HHAAHN Cc1cn2c(C(=O)N(C)C[C@@H]3CCCN(CCc4ccccc4F)C3)csc2n1 ZINC000012302461 558372036 /nfs/dbraw/zinc/37/20/36/558372036.db2.gz MCHJQKPCCKVFAU-KRWDZBQOSA-N 0 3 414.550 3.870 50 0 HHAAHN COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCC(C(N)=O)CC2)cc1F ZINC000012303328 558372843 /nfs/dbraw/zinc/37/28/43/558372843.db2.gz YOQRXPSKXYNIRW-UHFFFAOYSA-N 0 3 422.504 3.693 50 0 HHAAHN O=C(N[C@H]1CCCc2c1cnn2-c1ccccn1)C1(N2CCCCC2)CCCCC1 ZINC000012305823 558374806 /nfs/dbraw/zinc/37/48/06/558374806.db2.gz JKVXLAWMRNYIDF-FQEVSTJZSA-N 0 3 407.562 3.950 50 0 HHAAHN O=C(CCC1CCN(Cc2c[nH]nc2-c2cccc(F)c2)CC1)NC[C@@H]1CCCO1 ZINC000012317815 558381090 /nfs/dbraw/zinc/38/10/90/558381090.db2.gz KFLYPUBPHRNOQA-NRFANRHFSA-N 0 3 414.525 3.503 50 0 HHAAHN COc1ccc(-n2ncc([C@@H](C)NC3CCN(Cc4ccccn4)CC3)c2C)cc1 ZINC000012430697 558405216 /nfs/dbraw/zinc/40/52/16/558405216.db2.gz VCPSIEKAXFTQFG-GOSISDBHSA-N 0 3 405.546 3.900 50 0 HHAAHN Cn1cc(CN[C@H](Cn2ccnc2)c2ccccc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012437610 558409568 /nfs/dbraw/zinc/40/95/68/558409568.db2.gz WNXOAYMHTBLUKD-OAQYLSRUSA-N 0 3 415.497 3.586 50 0 HHAAHN CC(C)OCCNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012458643 558418272 /nfs/dbraw/zinc/41/82/72/558418272.db2.gz AHUJVSGZIBVBQT-UHFFFAOYSA-N 0 3 410.558 3.927 50 0 HHAAHN CCc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)cc1 ZINC000021795178 558449192 /nfs/dbraw/zinc/44/91/92/558449192.db2.gz IAKKFXUIQNFSIV-UHFFFAOYSA-N 0 3 408.550 3.692 50 0 HHAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)[C@@H]1CC(=O)c2ccccc21 ZINC000012706873 558450274 /nfs/dbraw/zinc/45/02/74/558450274.db2.gz GLQKNOKMSUCPSS-HSZRJFAPSA-N 0 3 408.517 3.909 50 0 HHAAHN CC(=O)c1ccc(OCC(=O)N(CCc2ccccc2)C[C@@H]2CCCN(C)C2)cc1 ZINC000012711021 558452397 /nfs/dbraw/zinc/45/23/97/558452397.db2.gz PWYHYTIAALABGN-JOCHJYFZSA-N 0 3 408.542 3.681 50 0 HHAAHN O=C(NCC1CCOCC1)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012753580 558459519 /nfs/dbraw/zinc/45/95/19/558459519.db2.gz RHCYGMBEGRGNRX-UHFFFAOYSA-N 0 3 422.569 3.929 50 0 HHAAHN CN(C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)[C@H]1CCOC1 ZINC000013595914 558547056 /nfs/dbraw/zinc/54/70/56/558547056.db2.gz DNXGOCLDAXFQNW-QFIPXVFZSA-N 0 3 408.542 3.633 50 0 HHAAHN COc1cc(CN2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)cc(Cl)c1O ZINC000023374825 558554566 /nfs/dbraw/zinc/55/45/66/558554566.db2.gz DHYXVKWOXQEXMQ-HXUWFJFHSA-N 0 3 415.965 3.841 50 0 HHAAHN O=C(CC1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc(Cl)c1 ZINC000023382131 558555393 /nfs/dbraw/zinc/55/53/93/558555393.db2.gz UULYMYQMBGKBBQ-QFBILLFUSA-N 0 3 424.888 3.785 50 0 HHAAHN Cc1ccccc1NC(=O)CC1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21 ZINC000023382472 558556078 /nfs/dbraw/zinc/55/60/78/558556078.db2.gz ZFGCDSKRXFMZOM-OAQYLSRUSA-N 0 3 411.465 3.856 50 0 HHAAHN CCN1CCC2(CC1)OCCN2C(=O)c1oc2cc(Br)ccc2c1C ZINC000013691673 558573520 /nfs/dbraw/zinc/57/35/20/558573520.db2.gz OBYQIEDRTZJVJM-UHFFFAOYSA-N 0 3 407.308 3.788 50 0 HHAAHN COc1ccc([C@@H](CNCc2cc(Br)ccc2F)N2CCOCC2)cc1 ZINC000025262012 558636101 /nfs/dbraw/zinc/63/61/01/558636101.db2.gz JXPXGHKXGVCQEC-HXUWFJFHSA-N 0 3 423.326 3.760 50 0 HHAAHN CCN1CCN(c2ccc(NC(=O)c3cccc(OC[C@H]4CCCO4)c3)c(C)c2)CC1 ZINC000026359631 558659405 /nfs/dbraw/zinc/65/94/05/558659405.db2.gz IRKWGVSOOLCUKK-HSZRJFAPSA-N 0 3 423.557 3.947 50 0 HHAAHN CN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1cc3ccccc3[nH]1)CC2 ZINC000014540920 558659845 /nfs/dbraw/zinc/65/98/45/558659845.db2.gz DCQXSNVOTJBAIK-UHFFFAOYSA-N 0 3 402.498 3.597 50 0 HHAAHN CC[C@H](O)C1CCN(C(=O)c2ccc(OC)c(OC3CCN(C(C)C)CC3)c2)CC1 ZINC000014960790 558683846 /nfs/dbraw/zinc/68/38/46/558683846.db2.gz RMEMMCJYSNKROE-NRFANRHFSA-N 0 3 418.578 3.570 50 0 HHAAHN COc1cccc(CNC(=O)CC[C@H]2CCCN(Cc3cnc(N(C)C)s3)C2)c1 ZINC000014961046 558684073 /nfs/dbraw/zinc/68/40/73/558684073.db2.gz IZBICCOGCANHEQ-QGZVFWFLSA-N 0 3 416.591 3.526 50 0 HHAAHN COc1cccc(CN2C(=O)CC[C@H]2CCNCc2cc3c(cc2Cl)OCO3)c1 ZINC000014988291 558693356 /nfs/dbraw/zinc/69/33/56/558693356.db2.gz DEFRAKHAPCZYJF-KRWDZBQOSA-N 0 3 416.905 3.748 50 0 HHAAHN Cc1nc2n(c(=O)c1CCN1CCC(c3noc4ccc(F)cc43)CC1)CCCC2 ZINC000028247550 558693545 /nfs/dbraw/zinc/69/35/45/558693545.db2.gz YNIYHYADOBEXLE-UHFFFAOYSA-N 0 3 410.493 3.590 50 0 in-vitro HHAAHN COc1cc(C[C@H]2CC(CNCCc3c(C)[nH]c4ccccc43)=NO2)cc2c1OCO2 ZINC000015085757 558720398 /nfs/dbraw/zinc/72/03/98/558720398.db2.gz XSVUKSGTMASBLX-SFHVURJKSA-N 0 3 421.497 3.733 50 0 HHAAHN COc1ccc(Nc2nc(NCCN(C)C)nc3c2cnn3-c2ccccc2)cc1 ZINC000016913670 558809197 /nfs/dbraw/zinc/80/91/97/558809197.db2.gz PBFQIEZFRGPRFS-UHFFFAOYSA-N 0 3 403.490 3.541 50 0 HHAAHN COc1ccc(Cl)cc1S(=O)(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000023127732 559016078 /nfs/dbraw/zinc/01/60/78/559016078.db2.gz KINUEJDIZHOQQL-UHFFFAOYSA-N 0 3 414.980 3.601 50 0 HHAAHN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CCCN(CC)CC1 ZINC000072274140 559019073 /nfs/dbraw/zinc/01/90/73/559019073.db2.gz NCCHEUAWVXXLQW-UHFFFAOYSA-N 0 3 415.559 3.558 50 0 HHAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000011652655 559119772 /nfs/dbraw/zinc/11/97/72/559119772.db2.gz MFWBBYWNISGMDC-JOCHJYFZSA-N 0 3 418.541 3.998 50 0 HHAAHN Cc1nc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)nn1-c1ccc(Cl)cc1 ZINC000023741172 559179634 /nfs/dbraw/zinc/17/96/34/559179634.db2.gz XWLYOPOAYPIHQQ-HXUWFJFHSA-N 0 3 409.921 3.796 50 0 HHAAHN COc1ccc(Nc2cc(C(=O)NCCN3CCCC3)c3ccccc3n2)cc1OC ZINC000004909646 559201459 /nfs/dbraw/zinc/20/14/59/559201459.db2.gz DFZBVGAKQHAUPD-UHFFFAOYSA-N 0 3 420.513 3.821 50 0 HHAAHN CN(C)CCNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2ccccc2)cc1 ZINC000037555445 559254959 /nfs/dbraw/zinc/25/49/59/559254959.db2.gz NXJLHBYFPMDKSF-UHFFFAOYSA-N 0 3 415.537 3.754 50 0 HHAAHN COCCN(C[C@H]1CN(Cc2ccco2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000248167132 559267055 /nfs/dbraw/zinc/26/70/55/559267055.db2.gz PAGXHOBXHCWNQO-KNQAVFIVSA-N 0 3 402.510 3.765 50 0 HHAAHN O=C(C1CC1)N1CCC[C@H](C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000078879445 560540661 /nfs/dbraw/zinc/54/06/61/560540661.db2.gz AXJUCWBQEPAGOK-QHCPKHFHSA-N 0 3 423.601 3.682 50 0 HHAAHN CCN(CC)CCn1cnc2c(c1=N)[C@@H](c1ccccc1OC)c1ccc(O)cc1O2 ZINC000005349037 560571264 /nfs/dbraw/zinc/57/12/64/560571264.db2.gz MSSXPLMAXBJPOT-NRFANRHFSA-N 0 3 420.513 3.704 50 0 HHAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@H]2C(=O)N1c1ccccc1Cl ZINC000018059679 560774157 /nfs/dbraw/zinc/77/41/57/560774157.db2.gz DVBZCJRJEDPHLH-HSALFYBXSA-N 0 3 405.841 3.786 50 0 HHAAHN COc1cccc([C@@H]2C[C@@H]2C(=O)N(C)CC2CCN(C[C@H](O)c3ccccc3)CC2)c1 ZINC000107072689 560895265 /nfs/dbraw/zinc/89/52/65/560895265.db2.gz GTXXAQVDPOWIJP-SDHOMARFSA-N 0 3 422.569 3.703 50 0 HHAAHN CN(C)C[C@@H](CNC(=O)Nc1nnc(C2CCCCC2)s1)[C@H](O)c1ccccc1 ZINC000048275192 568435442 /nfs/dbraw/zinc/43/54/42/568435442.db2.gz KYEHYGQAEPWBEK-QZTJIDSGSA-N 0 3 417.579 3.619 50 0 HHAAHN C[C@@H]1CN(c2ccccc2NC(=O)N(CCc2ccccc2)CCN(C)C)C[C@H](C)O1 ZINC000048280163 568435922 /nfs/dbraw/zinc/43/59/22/568435922.db2.gz MBWYUDXKOOGWTJ-OYRHEFFESA-N 0 3 424.589 3.938 50 0 HHAAHN O=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCN(C2CCCCC2)CC1 ZINC000006940025 568464962 /nfs/dbraw/zinc/46/49/62/568464962.db2.gz LWVGRLNVEFHYSY-UHFFFAOYSA-N 0 3 421.520 3.893 50 0 HHAAHN C[C@@H]1CCCCN1CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000020507920 568619864 /nfs/dbraw/zinc/61/98/64/568619864.db2.gz WAZDEYWLRCMYRY-TYCQWZJGSA-N 0 3 411.571 3.649 50 0 HHAAHN CN(C)CCOc1cccc(CC(=O)Nc2cc(CCc3ccccc3)ccn2)c1 ZINC000225415173 568635827 /nfs/dbraw/zinc/63/58/27/568635827.db2.gz MTOWWYBNKFYCJD-UHFFFAOYSA-N 0 3 403.526 3.988 50 0 HHAAHN COc1ccc(CC[C@H](C)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1O ZINC000225424870 568636887 /nfs/dbraw/zinc/63/68/87/568636887.db2.gz KOLIAGFBCDOCRP-SCLBCKFNSA-N 0 3 406.885 3.910 50 0 HHAAHN CCN(CC(=O)NCc1ccc(C)c(F)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000225670355 568662450 /nfs/dbraw/zinc/66/24/50/568662450.db2.gz QAUYCIZUAMLZSG-IBGZPJMESA-N 0 3 421.557 3.862 50 0 HHAAHN Cc1ncc(CN(C)CCO)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116526 568696105 /nfs/dbraw/zinc/69/61/05/568696105.db2.gz HUNXQBLAGHTOEZ-UHFFFAOYSA-N 0 3 404.466 3.822 50 0 biogenic HHAAHN O=C(CC[C@@H]1CCCN(Cc2ccc3cc(Cl)ccc3n2)C1)N1CCOCC1 ZINC000015071841 568749315 /nfs/dbraw/zinc/74/93/15/568749315.db2.gz MCSDFMWVNHNTDL-KRWDZBQOSA-N 0 3 401.938 3.739 50 0 HHAAHN COc1cccc(Nc2nc(N3CCN(C4CCCCC4)CC3)nc3c2cnn3C)c1 ZINC000021928393 568761516 /nfs/dbraw/zinc/76/15/16/568761516.db2.gz MISBTCIOZJMKLL-UHFFFAOYSA-N 0 3 421.549 3.570 50 0 HHAAHN Cc1cccc(Nc2nc(N3CCN(C4CCCCC4)CC3)nc3c2cnn3C)c1 ZINC000021928790 568761585 /nfs/dbraw/zinc/76/15/85/568761585.db2.gz XWRZNTVZGHUBQU-UHFFFAOYSA-N 0 3 405.550 3.870 50 0 HHAAHN O[C@H](CNCc1cccc(C(F)(F)F)c1)COc1ccc(Br)cc1 ZINC000003324090 568854619 /nfs/dbraw/zinc/85/46/19/568854619.db2.gz KDAVBDAYYYRART-OAHLLOKOSA-N 0 3 404.226 3.997 50 0 HHAAHN CC(C)CC(=O)Nc1ccc2c(c1)nc(CCN1CCN(c3ccccc3)CC1)n2C ZINC000057264298 568825226 /nfs/dbraw/zinc/82/52/26/568825226.db2.gz BYSCPMNATLEOCB-UHFFFAOYSA-N 0 3 419.573 3.923 50 0 HHAAHN COc1cc(C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCCC2)cc(OC)c1OC ZINC000003261408 568849469 /nfs/dbraw/zinc/84/94/69/568849469.db2.gz VTHDVDAJZUUHBN-LIRRHRJNSA-N 0 3 404.532 3.729 50 0 HHAAHN COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccco2)nc1C ZINC000003643290 568865721 /nfs/dbraw/zinc/86/57/21/568865721.db2.gz JOGXQZDGWZSLSL-HNNXBMFYSA-N 0 3 422.418 3.687 50 0 HHAAHN COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccco2)nc1C ZINC000003643292 568865793 /nfs/dbraw/zinc/86/57/93/568865793.db2.gz JOGXQZDGWZSLSL-OAHLLOKOSA-N 0 3 422.418 3.687 50 0 HHAAHN COc1ccccc1CCN1CCC(CN(C)C(=O)[C@@H]2CC(=O)c3ccccc32)CC1 ZINC000012595750 568868805 /nfs/dbraw/zinc/86/88/05/568868805.db2.gz HKRKLXLQIXIKMI-HSZRJFAPSA-N 0 3 420.553 3.778 50 0 HHAAHN CC[C@H](C)N(CCNC(=O)c1nn(C)c2c1COc1ccccc1-2)Cc1ccco1 ZINC000015674417 568962818 /nfs/dbraw/zinc/96/28/18/568962818.db2.gz JGVZIHYDWOWZQP-INIZCTEOSA-N 0 3 408.502 3.603 50 0 HHAAHN CCn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCCN1CCCCCC1 ZINC000015681867 568968327 /nfs/dbraw/zinc/96/83/27/568968327.db2.gz DQJKQHWCMUWRIR-UHFFFAOYSA-N 0 3 414.525 3.533 50 0 HHAAHN COc1ccc([C@H](CNC(=O)Cc2coc3cc(OC)ccc23)N2CCCC2)cc1 ZINC000008231044 568984132 /nfs/dbraw/zinc/98/41/32/568984132.db2.gz SJAKYPZLQJBJPX-QFIPXVFZSA-N 0 3 408.498 3.946 50 0 HHAAHN COc1ccc([C@@H](CNC(=O)Cc2coc3cc(OC)ccc23)N2CCCC2)cc1 ZINC000008231041 568984161 /nfs/dbraw/zinc/98/41/61/568984161.db2.gz SJAKYPZLQJBJPX-JOCHJYFZSA-N 0 3 408.498 3.946 50 0 HHAAHN COC(=O)C1(OC(=O)C2c3ccccc3Oc3ccccc32)C[C@H]2CC[C@@H](C1)N2C ZINC000085429835 568989360 /nfs/dbraw/zinc/98/93/60/568989360.db2.gz CBLVOBMVXLECFT-LZFXEFOOSA-N 0 3 407.466 3.636 50 0 HHAAHN COc1cc(CN2CCN(Cc3cccc4ccccc43)C[C@H]2CCO)cc(OC)c1 ZINC000104347374 569008275 /nfs/dbraw/zinc/00/82/75/569008275.db2.gz ZBLTUBSRCCPCIJ-HSZRJFAPSA-N 0 3 420.553 3.926 50 0 HHAAHN COc1ccc(CN2CCN(Cc3ccc4ncccc4c3)C[C@H]2CCO)c(C)c1C ZINC000107100324 569009254 /nfs/dbraw/zinc/00/92/54/569009254.db2.gz JWIVIFIBHNJUJD-XMMPIXPASA-N 0 3 419.569 3.929 50 0 HHAAHN C[C@H](Oc1ccc(Br)cc1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000013003820 569049347 /nfs/dbraw/zinc/04/93/47/569049347.db2.gz VBQUUEMYGITEBQ-INIZCTEOSA-N 0 3 417.347 3.997 50 0 HHAAHN COCCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000064666630 569078507 /nfs/dbraw/zinc/07/85/07/569078507.db2.gz JBLVFYMYCQQZGA-UHFFFAOYSA-N 0 3 423.532 3.803 50 0 HHAAHN Cc1cc(=O)oc2c(C)c(OCC(=O)NC3CCN(Cc4ccccc4)CC3)ccc12 ZINC000006659782 569083887 /nfs/dbraw/zinc/08/38/87/569083887.db2.gz UTOKZXASYNWNLD-UHFFFAOYSA-N 0 3 420.509 3.569 50 0 HHAAHN Cc1cccc(OCc2nc(CN(CCN(C)C)C(=O)NC(C)C)cs2)c1C ZINC000036115209 569093886 /nfs/dbraw/zinc/09/38/86/569093886.db2.gz NHGOWHKXXQVCKG-UHFFFAOYSA-N 0 3 404.580 3.821 50 0 HHAAHN CCC(CC)C(=O)N(CCN(C)C)Cc1cc(NC(=O)C(C)C)ccc1N(C)C ZINC000006722337 569099487 /nfs/dbraw/zinc/09/94/87/569099487.db2.gz BQDANSUJBQKEOH-UHFFFAOYSA-N 0 3 404.599 3.674 50 0 HHAAHN Cc1ccccc1Oc1nccnc1SCC(=O)NCCN1CCCCCC1 ZINC000065111219 569178862 /nfs/dbraw/zinc/17/88/62/569178862.db2.gz OARXEWCRDCVGAW-UHFFFAOYSA-N 0 3 400.548 3.662 50 0 HHAAHN CCOc1ccc(NC(=O)c2ccnc(N3CCN[C@H](c4ccccc4)C3)c2)cc1 ZINC000065255971 569208120 /nfs/dbraw/zinc/20/81/20/569208120.db2.gz BKBHEVSXVXSFOX-QFIPXVFZSA-N 0 3 402.498 3.884 50 0 HHAAHN CC(C)(CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)N1CCCCC1 ZINC000007064257 569217194 /nfs/dbraw/zinc/21/71/94/569217194.db2.gz XNSMLYASPKYLIL-SFHVURJKSA-N 0 3 405.970 3.573 50 0 HHAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccs4)[C@H]3C2=O)c1 ZINC000238882256 569227483 /nfs/dbraw/zinc/22/74/83/569227483.db2.gz CXQYYROFFWGQCQ-VAMGGRTRSA-N 0 3 406.463 3.808 50 0 aggregator HHAAHN CCN(CC)CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(OC)cc1 ZINC000007263649 569230799 /nfs/dbraw/zinc/23/07/99/569230799.db2.gz LGZMBUZBXFGZIJ-QFIPXVFZSA-N 0 3 420.509 3.997 50 0 HHAAHN Cc1cn2c(CNC[C@@H](c3ccc(Cl)cc3)N3CCOCC3)c(C)nc2s1 ZINC000237919257 569281912 /nfs/dbraw/zinc/28/19/12/569281912.db2.gz IWKYBWRRDBHLHF-IBGZPJMESA-N 0 3 404.967 3.829 50 0 HHAAHN CN(C[C@@H](O)COC(c1ccccc1)c1ccccc1)C[C@H]1COc2ccccc2O1 ZINC000252452829 569286339 /nfs/dbraw/zinc/28/63/39/569286339.db2.gz HCPYGECYHALWDB-PKTZIBPZSA-N 0 3 419.521 3.925 50 0 HHAAHN Cc1cc(NC(=O)CN[C@@H]2[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)n(C(C)(C)C)n1 ZINC000253417381 569367430 /nfs/dbraw/zinc/36/74/30/569367430.db2.gz SBSQIYPSGJBGMP-URLQWDBASA-N 0 3 421.586 3.509 50 0 HHAAHN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CCN2CCC(O)CC2)cc1 ZINC000078947452 569421852 /nfs/dbraw/zinc/42/18/52/569421852.db2.gz CPRVQMROVDCERW-MRXNPFEDSA-N 0 3 402.922 3.745 50 0 HHAAHN COC(=O)c1ccsc1N1CC[C@H](N[C@@H](c2ccc(F)cc2)C2CCC2)C1=O ZINC000078953963 569422077 /nfs/dbraw/zinc/42/20/77/569422077.db2.gz FKYVRHSALSZXPX-ZWKOTPCHSA-N 0 3 402.491 3.910 50 0 HHAAHN CN(C)Cc1ccc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000008724715 571107773 /nfs/dbraw/zinc/10/77/73/571107773.db2.gz AKBDWLQZOOOALZ-UHFFFAOYSA-N 0 3 400.832 3.657 50 0 HHAAHN FC(F)(F)c1cccnc1N1CCN(C2CCN(Cc3cccs3)CC2)CC1 ZINC000244975165 571211513 /nfs/dbraw/zinc/21/15/13/571211513.db2.gz IEOIYYYIMVQVJW-UHFFFAOYSA-N 0 3 410.509 3.949 50 0 HHAAHN O=c1c2ccc(Cl)cc2nc(SCCN2CCCCC2)n1C[C@@H]1CCCO1 ZINC000009112573 571223405 /nfs/dbraw/zinc/22/34/05/571223405.db2.gz FMVBPTWULSHUIC-INIZCTEOSA-N 0 3 407.967 3.807 50 0 HHAAHN O=C(NCCCCN1CCN(c2ccccc2)CC1)N1CC[C@H](c2ccccc2)C1 ZINC000069622205 571235174 /nfs/dbraw/zinc/23/51/74/571235174.db2.gz ZWFPOEPFZRSPLP-QHCPKHFHSA-N 0 3 406.574 3.788 50 0 HHAAHN Cc1c(C(=O)N2CCCCC2)nnn1-c1cccc2c1CCN(Cc1ccccc1)C2 ZINC000069899629 571248650 /nfs/dbraw/zinc/24/86/50/571248650.db2.gz SXFFLMUWEZUDSH-UHFFFAOYSA-N 0 3 415.541 3.760 50 0 HHAAHN CC(C)C[C@H](NC(=O)C1CCCCC1)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000009668189 571278247 /nfs/dbraw/zinc/27/82/47/571278247.db2.gz ZDFKKDSCCXJZDT-QFIPXVFZSA-N 0 3 401.595 3.688 50 0 HHAAHN CN(C)Cc1ccccc1CNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000009917481 571290185 /nfs/dbraw/zinc/29/01/85/571290185.db2.gz FADPANIJEFPBAG-UHFFFAOYSA-N 0 3 414.509 3.905 50 0 HHAAHN CC(C)[C@@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)[C@]2(N1)C(=O)Nc1ccc(Cl)cc12 ZINC000071335146 571292990 /nfs/dbraw/zinc/29/29/90/571292990.db2.gz DNLKODGNLMHUES-MDKPJZGXSA-N 0 3 401.869 3.899 50 0 HHAAHN O=C(NC[C@@H](c1cccc2ccccc21)N1CCCC1)C(=O)Nc1ccccc1F ZINC000010334032 571300702 /nfs/dbraw/zinc/30/07/02/571300702.db2.gz BQUZRIZJCNBTIQ-QFIPXVFZSA-N 0 3 405.473 3.871 50 0 HHAAHN Cc1ccc(CNC(=O)C(=O)NC[C@H](c2cccc3ccccc32)N2CCCC2)cc1 ZINC000010333888 571300718 /nfs/dbraw/zinc/30/07/18/571300718.db2.gz SCCCVKOCEXDJGT-XMMPIXPASA-N 0 3 415.537 3.718 50 0 HHAAHN CCNC(=O)[C@@H]1C[C@H](c2ccc(F)c(C)c2)CN(Cc2cc(OC)cc(OC)c2)C1 ZINC000034716730 571316362 /nfs/dbraw/zinc/31/63/62/571316362.db2.gz OOEVUBROORSHKM-VQTJNVASSA-N 0 3 414.521 3.893 50 0 HHAAHN