smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000012521960 132361657 /nfs/dbraw/zinc/36/16/57/132361657.db2.gz PKMGMNUTKUDDHG-UHFFFAOYSA-N 0 1 409.917 4.913 50 0 HJAAMN CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nc(C(C)C)n[nH]1 ZINC000032957575 521285798 /nfs/dbraw/zinc/28/57/98/521285798.db2.gz FVVGDEWAIIVVFZ-UHFFFAOYSA-N 0 1 400.548 4.648 50 0 HJAAMN CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1n[nH]c(C(C)C)n1 ZINC000032957575 521285807 /nfs/dbraw/zinc/28/58/07/521285807.db2.gz FVVGDEWAIIVVFZ-UHFFFAOYSA-N 0 1 400.548 4.648 50 0 HJAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1cccc(Cl)c1 ZINC000019881378 526767863 /nfs/dbraw/zinc/76/78/63/526767863.db2.gz NWJQOJPBNXWJRM-UHFFFAOYSA-N 0 1 419.956 4.686 50 0 HJAAMN O=c1[nH]c(=S)n(-c2ccccc2Cl)c2c1CN(Cc1ccccc1Cl)CN2 ZINC000020567703 527436200 /nfs/dbraw/zinc/43/62/00/527436200.db2.gz UMGVOWHPUYBODB-UHFFFAOYSA-N 0 1 419.337 4.587 50 0 HJAAMN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N5CCCCCC5)C4=O)cc3)sc2c1 ZINC000000689511 557060311 /nfs/dbraw/zinc/06/03/11/557060311.db2.gz OQMLVSOSOHGAHK-FQEVSTJZSA-N 0 1 419.550 4.780 50 0 HJAAMN COc1cccc([C@H]2CC(c3c(O)cc(C)oc3=O)=Nc3ccccc3S2)c1O ZINC000000754335 557076177 /nfs/dbraw/zinc/07/61/77/557076177.db2.gz BWCPGXSVXRCGOT-LJQANCHMSA-N 0 1 409.463 4.726 50 0 HJAAMN CC(=O)Nc1ccc2[nH]c(-c3ccc(-c4nc5ccc(NC(C)=O)cc5[nH]4)cc3)nc2c1 ZINC000001324163 557255189 /nfs/dbraw/zinc/25/51/89/557255189.db2.gz UDCVWKKKHBTWIJ-UHFFFAOYSA-N 0 1 424.464 4.690 50 0 HJAAMN CCOC(=O)C1C(CSc2ccccc2C)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000001421922 557260526 /nfs/dbraw/zinc/26/05/26/557260526.db2.gz NOJRNUPJLDUVDW-NRFANRHFSA-N 0 1 410.539 4.575 50 0 HJAAMN C[C@@H](NC(=O)c1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1)c1ccccc1 ZINC000034668723 557362397 /nfs/dbraw/zinc/36/23/97/557362397.db2.gz SBCSCFYGPOUZFP-HXUWFJFHSA-N 0 1 417.528 4.639 50 0 HJAAMN COc1ccc(Oc2c(C)nc(SCC(=O)c3ccc(Cl)cc3)[nH]c2=O)cc1 ZINC000005176619 557638983 /nfs/dbraw/zinc/63/89/83/557638983.db2.gz XDNNRFWFVDOOBL-UHFFFAOYSA-N 0 1 416.886 4.508 50 0 HJAAMN CCc1cccc(C)c1N(C(=O)CSc1nc2ccc(C)cc2[nH]1)[C@@H](C)COC ZINC000002666056 557740883 /nfs/dbraw/zinc/74/08/83/557740883.db2.gz GSYKRHBKHPBDPE-KRWDZBQOSA-N 0 1 411.571 4.902 50 0 HJAAMN O=C(CC[C@@H]1CCCN(Cc2ccccc2OC(F)F)C1)NCc1ccccc1F ZINC000011814187 558278462 /nfs/dbraw/zinc/27/84/62/558278462.db2.gz JPCWFAULSIDQLE-KRWDZBQOSA-N 0 1 420.475 4.736 50 0 HJAAMN CCc1cc(CN2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000019880649 558300727 /nfs/dbraw/zinc/30/07/27/558300727.db2.gz IQHWJLSXCFBSCV-UHFFFAOYSA-N 0 1 419.594 4.881 50 0 HJAAMN CN(CCc1nc2ccc(Cl)cc2[nH]1)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000020454555 558368365 /nfs/dbraw/zinc/36/83/65/558368365.db2.gz VDQKDBYSYFBWHF-UHFFFAOYSA-N 0 1 402.285 4.594 50 0 HJAAMN O=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(Cc2ccccc2F)CC1 ZINC000012304947 558374141 /nfs/dbraw/zinc/37/41/41/558374141.db2.gz JKXZDNXNWDQBHT-UHFFFAOYSA-N 0 1 405.473 4.864 50 0 HJAAMN O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000020716778 558401600 /nfs/dbraw/zinc/40/16/00/558401600.db2.gz BUFRXMXROUJKMO-XCLFUZPHSA-N 0 1 409.486 4.922 50 0 HJAAMN Cc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CC[NH+](Cc4cccc5ccccc54)CC3)c2c1 ZINC000020727101 558405154 /nfs/dbraw/zinc/40/51/54/558405154.db2.gz AJNXKNWASOHUHI-VWLOTQADSA-N 0 1 413.521 4.573 50 0 HJAAMN CCn1ncc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)c1C ZINC000012439294 558410805 /nfs/dbraw/zinc/41/08/05/558410805.db2.gz NGEKRXMQADAPEM-UHFFFAOYSA-N 0 1 420.532 4.868 50 0 HJAAMN Cc1ccc(OCc2cc(C(=O)N(C)Cc3nc4ccc(Cl)cc4[nH]3)no2)cc1C ZINC000012445550 558413750 /nfs/dbraw/zinc/41/37/50/558413750.db2.gz XYDWZAQSRQMXNT-UHFFFAOYSA-N 0 1 424.888 4.672 50 0 HJAAMN COc1cc(CN[C@@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)cc(OC)c1OC ZINC000012591240 558435956 /nfs/dbraw/zinc/43/59/56/558435956.db2.gz HVIPWRQZXVNJTQ-OAQYLSRUSA-N 0 1 421.541 4.682 50 0 HJAAMN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000072058558 558443434 /nfs/dbraw/zinc/44/34/34/558443434.db2.gz UXDFFQLISYHZSJ-QFIPXVFZSA-N 0 1 400.482 4.733 50 0 HJAAMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCCC[C@@H]1CCN1CCCC1=O ZINC000012704343 558448937 /nfs/dbraw/zinc/44/89/37/558448937.db2.gz HUSJKCBYSCEOFR-LJQANCHMSA-N 0 1 401.938 4.670 50 0 HJAAMN CN(C)CCN(C(=O)c1ccc(Cl)s1)c1nc2c(cccc2Cl)s1 ZINC000004359314 558450754 /nfs/dbraw/zinc/45/07/54/558450754.db2.gz LKQYEEBBQFRIPM-UHFFFAOYSA-N 0 1 400.356 4.873 50 0 HJAAMN CC(=O)NCC[C@@H]1CCCCN1Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C ZINC000012711747 558452927 /nfs/dbraw/zinc/45/29/27/558452927.db2.gz MJSXQPVPWUAMFL-SFHVURJKSA-N 0 1 409.452 4.550 50 0 HJAAMN CC(=O)NCC[C@H]1CCCCN1Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C ZINC000012711751 558452981 /nfs/dbraw/zinc/45/29/81/558452981.db2.gz MJSXQPVPWUAMFL-GOSISDBHSA-N 0 1 409.452 4.550 50 0 HJAAMN C[C@H]1CCc2c(sc3nc(CCN4CC=C(c5ccccc5)CC4)nc(N)c23)C1 ZINC000014070231 558617443 /nfs/dbraw/zinc/61/74/43/558617443.db2.gz JLBWSEPMVYXQAN-INIZCTEOSA-N 0 1 404.583 4.730 50 0 HJAAMN Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)N2CCCCC2)cc1 ZINC000028289030 558695770 /nfs/dbraw/zinc/69/57/70/558695770.db2.gz FNCPRDGLRKKBQE-JOCHJYFZSA-N 0 1 418.537 4.675 50 0 HJAAMN COc1ccc(Br)cc1CN[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000028925259 558707462 /nfs/dbraw/zinc/70/74/62/558707462.db2.gz VEWRIBHYTRHXAB-CYBMUJFWSA-N 0 1 403.320 4.657 50 0 HJAAMN CCOC(=O)N[C@@H](CNCc1sc(Sc2ccccc2)nc1Cl)C1CC1 ZINC000072289902 558724285 /nfs/dbraw/zinc/72/42/85/558724285.db2.gz PKONCCTWYWJVKZ-AWEZNQCLSA-N 0 1 411.980 4.562 50 0 HJAAMN O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000015859673 558757394 /nfs/dbraw/zinc/75/73/94/558757394.db2.gz FNBMEBFBZDQTPM-OAQYLSRUSA-N 0 1 409.917 4.952 50 0 HJAAMN OC1(c2ccc(Br)cc2)CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000023282906 558781910 /nfs/dbraw/zinc/78/19/10/558781910.db2.gz UWDMRSVSGZRYSZ-UHFFFAOYSA-N 0 1 414.265 4.952 50 0 HJAAMN CC[C@H]1CCc2sc(C(=O)NC[C@@H](c3ccccc3OC)N3CCCC3)cc2C1 ZINC000032983096 558804096 /nfs/dbraw/zinc/80/40/96/558804096.db2.gz XAJKVMZMGJANRU-PXNSSMCTSA-N 0 1 412.599 4.839 50 0 HJAAMN CCCCc1ccc(S(=O)(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)cc1 ZINC000017092844 558821240 /nfs/dbraw/zinc/82/12/40/558821240.db2.gz HFBGGAMBGWTWHB-UHFFFAOYSA-N 0 1 421.925 4.867 50 0 HJAAMN Cc1[nH]n(-c2cccc(C)c2)c(=O)c1C=C1C(=O)N(c2ccc(Cl)cc2)N=C1C ZINC000001191759 558837287 /nfs/dbraw/zinc/83/72/87/558837287.db2.gz ZNHVJDBHNDFIIT-UNOMPAQXSA-N 0 1 406.873 4.654 50 0 HJAAMN CC(C)c1cc(N2CCN(Cc3ccccc3)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000054284512 558867140 /nfs/dbraw/zinc/86/71/40/558867140.db2.gz HDNMOEAUGMPIGR-UHFFFAOYSA-N 0 1 411.553 4.842 50 0 HJAAMN Cc1nn2c(nc(C)cc2N2CCN(Cc3ccccc3)CC2)c1-c1ccc(C)cc1 ZINC000054284520 558867193 /nfs/dbraw/zinc/86/71/93/558867193.db2.gz GAFJWZWQAZYQJL-UHFFFAOYSA-N 0 1 411.553 4.644 50 0 HJAAMN CCOc1cc2[n-]c(=S)n(CCC[N@H+]3CCCC[C@@H]3CC)c(=O)c2cc1OCC ZINC000004657954 558872217 /nfs/dbraw/zinc/87/22/17/558872217.db2.gz AWACEEJCBSRXQO-INIZCTEOSA-N 0 1 419.591 4.511 50 0 HJAAMN Cc1nc2ccc(CC(=O)Nc3ccc(C)c(NC(=O)c4ccc(C)cc4)c3)cc2[nH]1 ZINC000055413149 558881134 /nfs/dbraw/zinc/88/11/34/558881134.db2.gz CFGGJKKOGZWRGF-UHFFFAOYSA-N 0 1 412.493 4.922 50 0 HJAAMN COc1ccc(C)cc1NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000055477926 558881528 /nfs/dbraw/zinc/88/15/28/558881528.db2.gz ITAHKLCZQWHDIN-UHFFFAOYSA-N 0 1 415.537 4.578 50 0 HJAAMN Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3ccc4ccccc4c3)C2)CC1 ZINC000055568827 558882869 /nfs/dbraw/zinc/88/28/69/558882869.db2.gz UGYPAKRAZQKFQD-VWLOTQADSA-N 0 1 413.565 4.575 50 0 HJAAMN Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)Nc1ccc(C)cc1C ZINC000033173834 558902093 /nfs/dbraw/zinc/90/20/93/558902093.db2.gz ZLKZBRNXIDTDTF-UHFFFAOYSA-N 0 1 415.462 4.883 50 0 HJAAMN Cc1ccc2nc([C@H]3CCCN3C(=O)Cc3csc(-c4ccsc4)n3)[nH]c2c1 ZINC000058342306 558920542 /nfs/dbraw/zinc/92/05/42/558920542.db2.gz VTVLTMJOSAHKAM-GOSISDBHSA-N 0 1 408.552 4.963 50 0 HJAAMN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1 ZINC000058645365 558929196 /nfs/dbraw/zinc/92/91/96/558929196.db2.gz WRRYHMANPKAWCZ-UHFFFAOYSA-N 0 1 408.523 4.636 50 0 HJAAMN C[C@@H](NCc1ccc(NC(=O)c2cccnc2)cc1)c1ccc(Br)o1 ZINC000097105392 558993830 /nfs/dbraw/zinc/99/38/30/558993830.db2.gz WYDAWZABLNOQLC-CYBMUJFWSA-N 0 1 400.276 4.540 50 0 HJAAMN Cc1cc2oc3c(c2cc1NS(=O)(=O)c1cccc2cccnc21)C(=O)CCC3 ZINC000004735774 559034923 /nfs/dbraw/zinc/03/49/23/559034923.db2.gz HGMDILCLYCYOBF-UHFFFAOYSA-N 0 1 406.463 4.609 50 0 HJAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H]1Nc2ccccc2C(=O)N1C1CCCCC1 ZINC000102454286 559150453 /nfs/dbraw/zinc/15/04/53/559150453.db2.gz QAODEMDRTKMEBL-QFIPXVFZSA-N 0 1 402.498 4.786 50 0 HJAAMN COc1cccc(-c2cc(-c3ccc(C(=O)NCc4ccccc4F)cc3)[nH]n2)c1 ZINC000023434040 559174536 /nfs/dbraw/zinc/17/45/36/559174536.db2.gz UCOXTMJPTSPLIL-UHFFFAOYSA-N 0 1 401.441 4.821 50 0 HJAAMN COc1cccc(-c2nc(-c3ccccc3)c(SCC(=O)NCc3ccco3)[nH]2)c1 ZINC000004927688 559208072 /nfs/dbraw/zinc/20/80/72/559208072.db2.gz SFKFUSZQYJORBX-UHFFFAOYSA-N 0 1 419.506 4.754 50 0 HJAAMN c1ccc(CN2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4cccnc4)=NN23)cc1 ZINC000005092125 559243886 /nfs/dbraw/zinc/24/38/86/559243886.db2.gz CQGMVAWMAHVVTL-XMMPIXPASA-N 0 1 410.521 4.617 50 0 HJAAMN CCn1c2ccccc2c2cc(NS(=O)(=O)c3cc(OC)ccc3OC)ccc21 ZINC000005126702 559248755 /nfs/dbraw/zinc/24/87/55/559248755.db2.gz BDVADHAVTYSASV-UHFFFAOYSA-N 0 1 410.495 4.632 50 0 HJAAMN Cc1cccc(NC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)c1C ZINC000005648207 560636350 /nfs/dbraw/zinc/63/63/50/560636350.db2.gz YDVFNKSIFGPJSV-UHFFFAOYSA-N 0 1 415.445 4.800 50 0 biogenic HJAAMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2Cl)cc1 ZINC000015756953 560646343 /nfs/dbraw/zinc/64/63/43/560646343.db2.gz JQGZTBKLMWCTMC-UHFFFAOYSA-N 0 1 416.886 4.892 50 0 HJAAMN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018010474 560752387 /nfs/dbraw/zinc/75/23/87/560752387.db2.gz KHHCYVQXMCAFRN-VSKRKVRLSA-N 0 1 418.880 4.700 50 0 HJAAMN CCCC[C@H](CC)[C@@H]1c2c(O)n(-c3ccc(C)cc3)c(O)c2ON1c1ccccc1 ZINC000102726151 560821883 /nfs/dbraw/zinc/82/18/83/560821883.db2.gz NJBXYNKCLWDUAR-JBJBFBLISA-N 0 1 406.526 4.890 50 0 HJAAMN CCCC[C@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102726151 560821885 /nfs/dbraw/zinc/82/18/85/560821885.db2.gz NJBXYNKCLWDUAR-JBJBFBLISA-N 0 1 406.526 4.890 50 0 HJAAMN CCCOc1ccc(C(O)=C2CC(=O)Nc3c2c(C)nn3-c2cc(C)cc(C)c2)cc1 ZINC000046056646 568425909 /nfs/dbraw/zinc/42/59/09/568425909.db2.gz FGRCWVWEGWZWRH-OAQYLSRUSA-N 0 1 417.509 4.895 50 0 HJAAMN Cc1nn(-c2cccc(C)c2)c2c1C(=C(O)c1ccc(Br)cc1)CC(=O)N2 ZINC000046057536 568426231 /nfs/dbraw/zinc/42/62/31/568426231.db2.gz ZBWMOCOGTSOMJW-QGZVFWFLSA-N 0 1 424.298 4.560 50 0 HJAAMN CSc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccco2)cc1 ZINC000006752792 568458482 /nfs/dbraw/zinc/45/84/82/568458482.db2.gz OZHNGIFRLFWJRW-JOCHJYFZSA-N 0 1 417.490 4.843 50 0 HJAAMN COc1ccc([C@](O)([C@@H](CN2CCOCC2)c2ccccc2)C2CCCCC2)cc1 ZINC000020440840 568607625 /nfs/dbraw/zinc/60/76/25/568607625.db2.gz VHZOBNQFBZAHNB-UIOOFZCWSA-N 0 1 409.570 4.579 50 0 HJAAMN CCc1ccc([C@](O)(c2ccccc2)[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000020440968 568607629 /nfs/dbraw/zinc/60/76/29/568607629.db2.gz MVYBHHVHMNAQPU-KAYWLYCHSA-N 0 1 401.550 4.601 50 0 HJAAMN CCc1ccc([C@](O)(c2cccc(C)c2)[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000020447573 568608785 /nfs/dbraw/zinc/60/87/85/568608785.db2.gz ZVMURFWVZYTHBO-NSOVKSMOSA-N 0 1 415.577 4.909 50 0 HJAAMN O[C@@](CCc1ccccc1)(c1ccccc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000021170333 568676124 /nfs/dbraw/zinc/67/61/24/568676124.db2.gz HTSNGPAGLOBCSR-SXOMAYOGSA-N 0 1 401.550 4.623 50 0 HJAAMN Cc1cc(-c2cc(S(=O)(=O)Nc3cccc(Br)c3)c(C)s2)on1 ZINC000096323501 568732227 /nfs/dbraw/zinc/73/22/27/568732227.db2.gz IOWIRNVZRXOKFR-UHFFFAOYSA-N 0 1 413.318 4.583 50 0 HJAAMN CCn1c(-c2cc(NC(=O)COc3ccc(Cl)cc3)[nH]n2)cc2cc(OC)ccc21 ZINC000096398591 568747435 /nfs/dbraw/zinc/74/74/35/568747435.db2.gz QZRAVAQXBMCNKC-UHFFFAOYSA-N 0 1 424.888 4.731 50 0 HJAAMN CCn1c(-c2cc(NC(=O)Cc3ccc(OC)c(Cl)c3)[nH]n2)cc2ccccc21 ZINC000096400257 568749386 /nfs/dbraw/zinc/74/93/86/568749386.db2.gz JKHACHAEDQBUCG-UHFFFAOYSA-N 0 1 408.889 4.895 50 0 HJAAMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)NC1CCCCCCC1 ZINC000012516372 568840673 /nfs/dbraw/zinc/84/06/73/568840673.db2.gz KYTXMQFCHCXVBF-UHFFFAOYSA-N 0 1 401.576 4.849 50 0 HJAAMN O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccccc1Oc1ccccc1 ZINC000003406921 568897215 /nfs/dbraw/zinc/89/72/15/568897215.db2.gz SBSFKKWKKSJUJF-UHFFFAOYSA-N 0 1 402.479 4.995 50 0 HJAAMN O=C(c1cc2occc2c(Nc2ccc(F)cc2)n1)N1CCN(C2CCCCC2)CC1 ZINC000035503262 569040552 /nfs/dbraw/zinc/04/05/52/569040552.db2.gz NCVQIRUQLFNOGV-UHFFFAOYSA-N 0 1 422.504 4.801 50 0 HJAAMN O=S(=O)(Nc1ccc(F)cc1F)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557386 569044751 /nfs/dbraw/zinc/04/47/51/569044751.db2.gz RNJFYRSMPIUXRO-UHFFFAOYSA-N 0 1 411.455 4.535 50 0 HJAAMN COc1ccc([C@@H](NC(=O)CN2CCC[C@H]2c2cccs2)c2ccccc2)cc1 ZINC000239432839 569054333 /nfs/dbraw/zinc/05/43/33/569054333.db2.gz WPBDKNVLMQCNAY-URXFXBBRSA-N 0 1 406.551 4.799 50 0 HJAAMN CCc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)cc1 ZINC000006463740 569057772 /nfs/dbraw/zinc/05/77/72/569057772.db2.gz FYIDWCDVMBQWIV-GFCCVEGCSA-N 0 1 416.934 4.815 50 0 HJAAMN O[C@@H](COc1ccc(Cl)cc1)CN(Cc1ccsc1)Cc1ccc(F)cc1 ZINC000036031584 569081193 /nfs/dbraw/zinc/08/11/93/569081193.db2.gz BSVRZRSUSURWDT-HXUWFJFHSA-N 0 1 405.922 4.983 50 0 HJAAMN CC[C@H](NC(=O)C(C)C)[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccc(C)cc1 ZINC000006695776 569091721 /nfs/dbraw/zinc/09/17/21/569091721.db2.gz XNHQQQZADZZEOR-DHLKQENFSA-N 0 1 424.585 4.662 50 0 HJAAMN COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)Nc1ccc(Cl)cc1C ZINC000064837351 569105138 /nfs/dbraw/zinc/10/51/38/569105138.db2.gz GEPPYHVXNKHXRD-UHFFFAOYSA-N 0 1 406.891 4.730 50 0 HJAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2cccc(Cl)c2)N1Cc1cccnc1 ZINC000006744659 569107434 /nfs/dbraw/zinc/10/74/34/569107434.db2.gz MBDLBDGGSSEJKT-JOCHJYFZSA-N 0 1 416.868 4.576 50 0 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COc1cccc(-c2cc(-c3ccc(C(=O)NCc4ccc(F)c(F)c4)cc3)[nH]n2)c1 ZINC000023443075 559175074 /nfs/dbraw/zinc/17/50/74/559175074.db2.gz ZWMUHGIUCBZFJR-UHFFFAOYSA-N 0 1 419.431 4.961 50 0 HJAAMN Cc1oc(-c2ccccc2C)nc1CN1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000005043348 559236227 /nfs/dbraw/zinc/23/62/27/559236227.db2.gz VWDYNVIXCFZSRZ-UHFFFAOYSA-N 0 1 417.553 4.795 50 0 HJAAMN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000005044233 559236407 /nfs/dbraw/zinc/23/64/07/559236407.db2.gz OWSVIBFCPSXIAH-SFHVURJKSA-N 0 1 415.965 4.964 50 0 HJAAMN Cc1oc(-c2ccccc2C)nc1CN1CCC[C@@H](C(=O)NCc2ccc(F)cc2)C1 ZINC000005055775 559237681 /nfs/dbraw/zinc/23/76/81/559237681.db2.gz BBWWBWKPNLGNSX-HXUWFJFHSA-N 0 1 421.516 4.626 50 0 HJAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2ccc(F)cc2)N1CCc1ccccc1 ZINC000005343821 560566777 /nfs/dbraw/zinc/56/67/77/560566777.db2.gz CXLWOEKFLWICEC-XMMPIXPASA-N 0 1 413.452 4.709 50 0 HJAAMN O=C(NC[C@H](c1ccco1)N1CCCCC1)C1c2ccccc2Oc2ccccc21 ZINC000005511537 560601150 /nfs/dbraw/zinc/60/11/50/560601150.db2.gz OPTYHPDRICIIRI-HXUWFJFHSA-N 0 1 402.494 4.861 50 0 HJAAMN COC(=O)c1ccccc1Oc1nc(-c2cccc(OC)c2O)nc2ccccc21 ZINC000005561081 560617900 /nfs/dbraw/zinc/61/79/00/560617900.db2.gz YOQDTCDYONKIMO-UHFFFAOYSA-N 0 1 402.406 4.590 50 0 HJAAMN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102717107 560823256 /nfs/dbraw/zinc/82/32/56/560823256.db2.gz QBVBZOBHRWSSFE-WXFUMESZSA-N 0 1 412.489 4.663 50 0 HJAAMN Cc1nc([C@@H](NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)n[nH]1 ZINC000111117493 560892892 /nfs/dbraw/zinc/89/28/92/560892892.db2.gz GORABBJIDJIIOE-HNNXBMFYSA-N 0 1 409.799 4.696 50 0 HJAAMN COc1ccc(CN2CCC(Nc3ncc(C(F)(F)F)cc3Cl)CC2)cc1F ZINC000048286716 568434564 /nfs/dbraw/zinc/43/45/64/568434564.db2.gz YKQPFUDZADOGGQ-UHFFFAOYSA-N 0 1 417.834 4.978 50 0 HJAAMN O=C(C1CCN(CCSc2cc(Cl)ccc2Cl)CC1)N1CCCCC1 ZINC000095423232 568607532 /nfs/dbraw/zinc/60/75/32/568607532.db2.gz OSLQWVNQUJPHBC-UHFFFAOYSA-N 0 1 401.403 4.810 50 0 HJAAMN CCc1ccc([C@](O)(c2cccc(C)c2)[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000020447579 568608782 /nfs/dbraw/zinc/60/87/82/568608782.db2.gz ZVMURFWVZYTHBO-IZLXSDGUSA-N 0 1 415.577 4.909 50 0 HJAAMN NC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000095465135 568623072 /nfs/dbraw/zinc/62/30/72/568623072.db2.gz QBIWZEGHVKJQOR-HOTGVXAUSA-N 0 1 411.893 4.619 50 0 HJAAMN CC(C)[C@](O)(c1ccc(Cl)cc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020868659 568647116 /nfs/dbraw/zinc/64/71/16/568647116.db2.gz RIKOXWFFIMHCII-VXKWHMMOSA-N 0 1 408.369 4.953 50 0 HJAAMN CC[C@@](O)(c1ccc(OCCC(C)C)cc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000020868870 568647210 /nfs/dbraw/zinc/64/72/10/568647210.db2.gz ROHDAMDNCHTNMF-IZZNHLLZSA-N 0 1 411.586 4.825 50 0 HJAAMN COc1ccc(C)cc1NC(=O)NCC1CCN(Cc2cccc(Cl)c2)CC1 ZINC000020889640 568647704 /nfs/dbraw/zinc/64/77/04/568647704.db2.gz KQWMGUMLUMMCAA-UHFFFAOYSA-N 0 1 401.938 4.691 50 0 HJAAMN Cc1ccc([C@@](O)(Cc2ccccc2)[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000021169835 568676182 /nfs/dbraw/zinc/67/61/82/568676182.db2.gz VWQVGWSRCHCRHG-SVBPBHIXSA-N 0 1 401.550 4.541 50 0 HJAAMN CCCc1nc2ccc(CCC(=O)Nc3ccc(Br)c(F)c3)cc2[nH]1 ZINC000096332879 568736378 /nfs/dbraw/zinc/73/63/78/568736378.db2.gz ALJSYPPJMUUJQF-UHFFFAOYSA-N 0 1 404.283 4.988 50 0 HJAAMN CCOc1ccc(C(=O)Nc2cc(-c3cc4c(cccc4OC)n3CC)n[nH]2)cc1 ZINC000096398636 568747525 /nfs/dbraw/zinc/74/75/25/568747525.db2.gz JTHIMCHBWJUWRI-UHFFFAOYSA-N 0 1 404.470 4.711 50 0 HJAAMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000002971885 568831915 /nfs/dbraw/zinc/83/19/15/568831915.db2.gz BRXGCLUJBPOLPX-UHFFFAOYSA-N 0 1 417.490 4.880 50 0 HJAAMN CCOc1ccc2nc(SCC(=O)NC(c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000006000379 568834769 /nfs/dbraw/zinc/83/47/69/568834769.db2.gz DUPDHGXLBLZTOL-UHFFFAOYSA-N 0 1 417.534 4.960 50 0 HJAAMN CCc1ccc(C(=O)CSc2nc(-c3ccccc3Br)n[nH]2)cc1 ZINC000006006606 568835073 /nfs/dbraw/zinc/83/50/73/568835073.db2.gz HMKPMRAXOIKNLS-UHFFFAOYSA-N 0 1 402.317 4.772 50 0 HJAAMN O=C(Nc1ccccc1)Nc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000012521097 568841480 /nfs/dbraw/zinc/84/14/80/568841480.db2.gz IXALHVLHGNABSL-UHFFFAOYSA-N 0 1 401.875 4.785 50 0 HJAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc(C(C)C)cc2)c1 ZINC000012552103 568853999 /nfs/dbraw/zinc/85/39/99/568853999.db2.gz UKNVWBBXSPBCTL-UHFFFAOYSA-N 0 1 424.522 4.872 50 0 HJAAMN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN[C@@H](C)c1ccccc1 ZINC000057851828 568863299 /nfs/dbraw/zinc/86/32/99/568863299.db2.gz JNWWTZHYPAMEKI-INIZCTEOSA-N 0 1 408.523 4.881 50 0 HJAAMN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN[C@H](C)c1ccccc1 ZINC000057851830 568863409 /nfs/dbraw/zinc/86/34/09/568863409.db2.gz JNWWTZHYPAMEKI-MRXNPFEDSA-N 0 1 408.523 4.881 50 0 HJAAMN CSc1ccc(CN2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000299770787 568874152 /nfs/dbraw/zinc/87/41/52/568874152.db2.gz RIUPDAGUHNAUBB-UHFFFAOYSA-N 0 1 408.489 4.662 50 0 HJAAMN O=C(C[C@@H](c1cccc2ccccc21)n1cccc1)Nc1ccc2nc(CO)[nH]c2c1 ZINC000263587653 568883186 /nfs/dbraw/zinc/88/31/86/568883186.db2.gz JODHVTCKWSXPPH-QHCPKHFHSA-N 0 1 410.477 4.628 50 0 HJAAMN COc1cc([C@H]2CC(c3c(O)cc(C)oc3=O)=Nc3ccccc3S2)ccc1O ZINC000005441735 568906917 /nfs/dbraw/zinc/90/69/17/568906917.db2.gz LEFSSOXXUTTWQA-HXUWFJFHSA-N 0 1 409.463 4.726 50 0 biogenic HJAAMN C[C@H](NC(=O)[C@H](C)N1CCC(c2nc3ccccc3s2)CC1)c1ccc(F)cc1 ZINC000012821369 569005825 /nfs/dbraw/zinc/00/58/25/569005825.db2.gz AQIDDXSIBILVJX-HOTGVXAUSA-N 0 1 411.546 4.881 50 0 HJAAMN CCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3ccccc3OC)ccc21 ZINC000026121267 569017485 /nfs/dbraw/zinc/01/74/85/569017485.db2.gz NTKKWRHSSXVGDW-UHFFFAOYSA-N 0 1 406.530 4.549 50 0 HJAAMN COc1ccc(NC(=O)CCC2CCCC2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000006178394 569017534 /nfs/dbraw/zinc/01/75/34/569017534.db2.gz QRPNKGDIRWKVKW-UHFFFAOYSA-N 0 1 420.506 4.544 50 0 HJAAMN CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)N[C@@H](C)CCc3ccccc3)n2)cc1 ZINC000006214802 569033273 /nfs/dbraw/zinc/03/32/73/569033273.db2.gz YMSQJZPUWYNOPB-DLBZAZTESA-N 0 1 408.571 4.652 50 0 HJAAMN COc1ccc(-c2nc(-c3ccccc3)c(SCC(=O)NC3CCCC3)[nH]2)cc1 ZINC000006729195 569102006 /nfs/dbraw/zinc/10/20/06/569102006.db2.gz AZOFIMOQUDQLCX-UHFFFAOYSA-N 0 1 407.539 4.903 50 0 HJAAMN Cc1ccc(O)c(-c2[nH]nc3c2[C@H](c2ccccc2F)N(Cc2ccco2)C3=O)c1 ZINC000006753262 569110744 /nfs/dbraw/zinc/11/07/44/569110744.db2.gz KCGNWMHNDRLLNS-QFIPXVFZSA-N 0 1 403.413 4.568 50 0 aggregator HJAAMN CC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)C ZINC000036302018 569128714 /nfs/dbraw/zinc/12/87/14/569128714.db2.gz ATKIGYSKZXRJSC-OAQYLSRUSA-N 0 1 423.557 4.963 50 0 HJAAMN COc1ccccc1[C@H]1CC(c2ccc(C)cc2)=NN1C(=O)CN1CCCC[C@@H]1C ZINC000036345282 569143235 /nfs/dbraw/zinc/14/32/35/569143235.db2.gz ZXZVLPPWXGZTGL-WMZHIEFXSA-N 0 1 405.542 4.556 50 0 HJAAMN COc1cccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCC(C)CC2)c1 ZINC000036345666 569143429 /nfs/dbraw/zinc/14/34/29/569143429.db2.gz VTGFUPQYPVVLDP-RUZDIDTESA-N 0 1 419.569 4.722 50 0 HJAAMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2nc(Cl)ccc2c1 ZINC000036394873 569168472 /nfs/dbraw/zinc/16/84/72/569168472.db2.gz PNYWOYOBSWFRAZ-UHFFFAOYSA-N 0 1 414.336 4.936 50 0 HJAAMN Cc1nn(C[C@H](C)c2n[nH]c(=S)n2-c2cccc(C)c2C)c(C)c1Br ZINC000006912979 569179468 /nfs/dbraw/zinc/17/94/68/569179468.db2.gz DRWAPUZTNWNCJD-NSHDSACASA-N 0 1 420.380 4.926 50 0 HJAAMN COc1cccc(-c2cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)n[nH]2)c1 ZINC000006942898 569186991 /nfs/dbraw/zinc/18/69/91/569186991.db2.gz IHOGNXVCHCLHDN-UHFFFAOYSA-N 0 1 411.505 4.970 50 0 biogenic HJAAMN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 ZINC000007005284 569198523 /nfs/dbraw/zinc/19/85/23/569198523.db2.gz BAXATOOKUZRJBT-UHFFFAOYSA-N 0 1 410.854 4.560 50 0 HJAAMN COc1ccc2cc3cc(C(=O)NCCN4CCC(C)CC4)sc3nc2c1Cl ZINC000065330823 569225074 /nfs/dbraw/zinc/22/50/74/569225074.db2.gz BGSUKFCGJSGGBE-UHFFFAOYSA-N 0 1 417.962 4.573 50 0 HJAAMN O=C(CSc1nc(-c2ccccc2)n[nH]1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000007440053 569238998 /nfs/dbraw/zinc/23/89/98/569238998.db2.gz NBNVFXWVMCFVLF-NRFANRHFSA-N 0 1 414.534 4.664 50 0 HJAAMN CC(C)(C)C(=O)Nc1ccc(-c2csc(NC(=O)c3ccn4cncc4c3)n2)cc1 ZINC000089621339 569261384 /nfs/dbraw/zinc/26/13/84/569261384.db2.gz HVQTUYFMUDISLV-UHFFFAOYSA-N 0 1 419.510 4.695 50 0 HJAAMN COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccc(Cl)cc2)ccc1O ZINC000002213509 569308373 /nfs/dbraw/zinc/30/83/73/569308373.db2.gz HAZRINAWSLTYFD-WWPVKYPJSA-N 0 1 401.934 4.923 50 0 HJAAMN CCO[C@H](C)c1nc(CN2[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@H]3CCCC[C@@H]32)cs1 ZINC000252671073 569319342 /nfs/dbraw/zinc/31/93/42/569319342.db2.gz MPPZIXAFTCORID-DUWFINSESA-N 0 1 421.651 4.925 50 0 HJAAMN O=S(=O)(CCN(Cc1ccccc1)Cc1ccccc1)Oc1ccc(Cl)cc1 ZINC000002262084 569325314 /nfs/dbraw/zinc/32/53/14/569325314.db2.gz LEEKGAQFJIDIGS-UHFFFAOYSA-N 0 1 415.942 4.751 50 0 HJAAMN O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1cccc(-c2nnc[nH]2)c1 ZINC000253404300 569388893 /nfs/dbraw/zinc/38/88/93/569388893.db2.gz HTMCTACINLYDJY-GOSISDBHSA-N 0 1 405.889 4.739 50 0 HJAAMN O=C(NCc1ccc(Cl)cc1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000055150095 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HJAAMN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101010913 568417849 /nfs/dbraw/zinc/41/78/49/568417849.db2.gz QBVBZOBHRWSSFE-VXNXHJTFSA-N 0 1 412.489 4.663 50 0 HJAAMN CCN(CC)Cc1ccc(C(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)o1 ZINC000048299941 568437274 /nfs/dbraw/zinc/43/72/74/568437274.db2.gz AGTHXGKYOPQBMG-GOSISDBHSA-N 0 1 419.525 4.865 50 0 HJAAMN Cc1ccc([C@](O)(c2cccc(C)c2)[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000020868596 568647166 /nfs/dbraw/zinc/64/71/66/568647166.db2.gz XBXZDDMTGVIVGH-SVBPBHIXSA-N 0 1 401.550 4.655 50 0 HJAAMN COc1ccc(S(=O)(=O)Nc2cccc(Br)c2)c(Cl)c1Cl ZINC000012420123 568719444 /nfs/dbraw/zinc/71/94/44/568719444.db2.gz XNDXCAINRDSMQQ-UHFFFAOYSA-N 0 1 411.104 4.565 50 0 HJAAMN CCn1c(-c2cc(NC(=O)CCc3ccc(OC)cc3)[nH]n2)cc2ccc(OC)cc21 ZINC000096400329 568749689 /nfs/dbraw/zinc/74/96/89/568749689.db2.gz XVQVOYQGPYFHHV-UHFFFAOYSA-N 0 1 418.497 4.640 50 0 HJAAMN CN1CCC2(CC1)N=C(c1ccccc1)C(=S)N2C(=O)c1ccc(C(C)(C)C)cc1 ZINC000002693540 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O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000009222736 571238481 /nfs/dbraw/zinc/23/84/81/571238481.db2.gz ISHVGALSWYWRBB-UHFFFAOYSA-N 0 1 422.510 4.634 50 0 HJAAMN Fc1ccc([C@H]2c3[nH]cnc3CCN2C(=S)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000009382427 571253943 /nfs/dbraw/zinc/25/39/43/571253943.db2.gz WLEADXSKRWMVBO-SFHVURJKSA-N 0 1 420.435 4.912 50 0 HJAAMN O=S(=O)(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1C(F)(F)F ZINC000009520481 571265613 /nfs/dbraw/zinc/26/56/13/571265613.db2.gz AQUBQOYLPIXYTN-UHFFFAOYSA-N 0 1 423.441 4.882 50 0 HJAAMN COc1cc2ccccc2cc1C(=O)N(CCN(C)C)c1nc2c(cccc2F)s1 ZINC000009603987 571273028 /nfs/dbraw/zinc/27/30/28/571273028.db2.gz ZNWOGRULIQISOL-UHFFFAOYSA-N 0 1 423.513 4.806 50 0 HJAAMN CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1N1CCN(Cc2ccccc2)CC1 ZINC000000645729 132229942 /nfs/dbraw/zinc/22/99/42/132229942.db2.gz NIXVSNOUSINWRM-UHFFFAOYSA-N 0 1 423.944 4.696 50 0 HJAAMN Cc1c2ccccc2oc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000012509351 132361143 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424.492 4.899 50 0 HJAAMN Cc1ccc(-c2noc([C@H](C)N3CCC[C@H](C(=O)Nc4ccccc4)C3)n2)cc1F ZINC000036389829 569165397 /nfs/dbraw/zinc/16/53/97/569165397.db2.gz JJEGBUXDECEGPF-WMZOPIPTSA-N 0 1 408.477 4.596 50 0 HJAAMN Cc1cc(O)c(C2=Nc3ccccc3N[C@@H](c3c[nH]nc3-c3ccccc3)C2)c(=O)o1 ZINC000036621420 569212092 /nfs/dbraw/zinc/21/20/92/569212092.db2.gz IHKOTDKKFPYQJB-LJQANCHMSA-N 0 1 412.449 4.722 50 0 HJAAMN O=C(CSc1nc(-c2ccccc2Br)n[nH]1)c1ccc(Cl)cc1 ZINC000007252235 569230381 /nfs/dbraw/zinc/23/03/81/569230381.db2.gz IRHSQXRGZINOSK-UHFFFAOYSA-N 0 1 408.708 4.863 50 0 HJAAMN CN1CCN(c2ccccc2NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1 ZINC000007735241 569304663 /nfs/dbraw/zinc/30/46/63/569304663.db2.gz OCWIKALLJHIDQY-DEOSSOPVSA-N 0 1 417.578 4.911 50 0 HJAAMN Cc1cc(NC(=O)CN[C@@H](C)c2ccc(Cl)c(Cl)c2)n(-c2ccccc2)n1 ZINC000019535772 569422658 /nfs/dbraw/zinc/42/26/58/569422658.db2.gz YMLBPLNKEGCQNQ-AWEZNQCLSA-N 0 1 403.313 4.777 50 0 HJAAMN Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)N(C)Cc2ccccc2)n[nH]1 ZINC000038651923 571052184 /nfs/dbraw/zinc/05/21/84/571052184.db2.gz UJGYMYBFPFXCCW-UHFFFAOYSA-N 0 1 406.486 4.920 50 0 HJAAMN CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)N[C@@H]3CCCc4ccccc43)n2)cc1 ZINC000008484146 571055150 /nfs/dbraw/zinc/05/51/50/571055150.db2.gz SYYKEQGHHPERIS-MGPUTAFESA-N 0 1 406.555 4.709 50 0 HJAAMN Cc1ccc(C)c([C@H](C)N[C@@H]2c3ccccc3C[C@@H]2NS(=O)(=O)c2ccccc2)c1 ZINC000008491750 571061399 /nfs/dbraw/zinc/06/13/99/571061399.db2.gz BOMDGRDQPRQHME-PNTFMKQHSA-N 0 1 420.578 4.599 50 0 HJAAMN COc1cc(C(C)=O)ccc1OCCN1CCC(c2nc3ccccc3s2)CC1 ZINC000009052932 571216499 /nfs/dbraw/zinc/21/64/99/571216499.db2.gz JWBUCJFJTJGNBJ-UHFFFAOYSA-N 0 1 410.539 4.766 50 0 HJAAMN COc1cccc(-c2nc(-c3ccccc3)c(SCC(=O)Nc3nccs3)[nH]2)c1 ZINC000009674136 571278864 /nfs/dbraw/zinc/27/88/64/571278864.db2.gz IEQWSLUCJOFJFW-UHFFFAOYSA-N 0 1 422.535 4.940 50 0 HJAAMN COc1ccc([C@@H]2CCCN2CC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)cc1 ZINC000010053761 571294585 /nfs/dbraw/zinc/29/45/85/571294585.db2.gz YLGYJELUHPWSDE-VWLOTQADSA-N 0 1 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1 420.412 4.759 50 0 HJAAMN Cc1n[nH]c([C@H]2CCCN(Cc3nc4cc(Cl)ccc4n3Cc3ccccc3)C2)n1 ZINC000079108999 569427836 /nfs/dbraw/zinc/42/78/36/569427836.db2.gz CYYIEVPEILVESJ-SFHVURJKSA-N 0 1 420.948 4.544 50 0 HJAAMN CSc1nc2ccc(NS(=O)(=O)c3ccccc3Br)cc2s1 ZINC000008725712 571108153 /nfs/dbraw/zinc/10/81/53/571108153.db2.gz ZYWGDPNPRPYYRQ-UHFFFAOYSA-N 0 1 415.359 4.582 50 0 HJAAMN CCN1CCN(c2ccccc2NC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000040103958 571164793 /nfs/dbraw/zinc/16/47/93/571164793.db2.gz UFTODRSXDMBDJJ-QGZVFWFLSA-N 0 1 400.954 4.707 50 0 HJAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000008965722 571191288 /nfs/dbraw/zinc/19/12/88/571191288.db2.gz ACYRHZGHBZAPMV-UHFFFAOYSA-N 0 1 420.519 4.761 50 0 HJAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009516701 571265085 /nfs/dbraw/zinc/26/50/85/571265085.db2.gz LTMUYJOVEVVSMX-HKUYNNGSSA-N 0 1 424.570 4.615 50 0 HJAAMN Cc1ccc2nc(SCC(=O)N3CCC(c4nc5ccccc5s4)CC3)[nH]c2c1 ZINC000009516776 571265137 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COc1ccc(C(=O)Nc2ccc(CCc3nc4ccc(C)cc4[nH]3)cc2)c(OC)c1 ZINC000032960924 523749099 /nfs/dbraw/zinc/74/90/99/523749099.db2.gz CRMMNFALKWMJTR-UHFFFAOYSA-N 0 1 415.493 4.926 50 0 HJAAMN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)c(C(C)C)cc1Br ZINC000032602044 525419625 /nfs/dbraw/zinc/41/96/25/525419625.db2.gz SFQZAQLQZRKJHW-UHFFFAOYSA-N 0 1 403.729 4.730 50 0 HJAAMN Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3)N3CCCCC3)no2)cc1C ZINC000032623535 525725735 /nfs/dbraw/zinc/72/57/35/525725735.db2.gz XAFTURFWBJKANO-HSZRJFAPSA-N 0 1 403.526 4.915 50 0 HJAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc(Br)cc1F ZINC000009510367 557109704 /nfs/dbraw/zinc/10/97/04/557109704.db2.gz WBCGEKNIBJQEBQ-UHFFFAOYSA-N 0 1 414.687 4.849 50 0 HJAAMN O=S(=O)(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000001023830 557144452 /nfs/dbraw/zinc/14/44/52/557144452.db2.gz CQXMKHRGHBZIOW-UHFFFAOYSA-N 0 1 412.364 4.833 50 0 HJAAMN COc1cc(-c2n[nH]c(=S)n2-c2cccc(C(F)(F)F)c2)cc(OC)c1OC ZINC000001443461 557265213 /nfs/dbraw/zinc/26/52/13/557265213.db2.gz 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COc1ccc(NS(=O)(=O)c2ccccc2-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000033175600 558904958 /nfs/dbraw/zinc/90/49/58/558904958.db2.gz KSSPJEFBAJRWQZ-UHFFFAOYSA-N 0 1 421.478 4.521 50 0 HJAAMN CC(C)N(C)CC(=O)Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1 ZINC000058377652 558922838 /nfs/dbraw/zinc/92/28/38/558922838.db2.gz XPKACFLLYSNJLR-UHFFFAOYSA-N 0 1 420.282 4.675 50 0 HJAAMN COc1ccc(-c2csc(N3[NH2+]C4=C(C[C@@H](C)CC4)[C@@]3([O-])C(F)(F)F)n2)cc1 ZINC000016957509 559087476 /nfs/dbraw/zinc/08/74/76/559087476.db2.gz NXFZJPXBYCSWAD-KQYVJACZSA-N 0 1 411.449 4.682 50 0 HJAAMN COc1cccc(-c2cc(-c3ccc(C(=O)NC4Cc5ccccc5C4)cc3)[nH]n2)c1 ZINC000023441479 559175033 /nfs/dbraw/zinc/17/50/33/559175033.db2.gz KXEDJRZHWBXNMI-UHFFFAOYSA-N 0 1 409.489 4.650 50 0 HJAAMN COc1cc2ccccc2cc1C(=O)N(CCN(C)C)c1nc2c(cccc2C)s1 ZINC000005115499 559247300 /nfs/dbraw/zinc/24/73/00/559247300.db2.gz VVZZSLLWHHYGPD-UHFFFAOYSA-N 0 1 419.550 4.975 50 0 HJAAMN COc1ccc([C@@H](CNC(=O)c2cc(SC)ccc2Cl)N2CCCC2)cc1 ZINC000017911560 560730526 /nfs/dbraw/zinc/73/05/26/560730526.db2.gz QTPBQKJWKUNHNO-HXUWFJFHSA-N 0 1 404.963 4.637 50 0 HJAAMN Cc1cccc(NC(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(F)cc5)nc-4c3c2)c1 ZINC000101828789 560802737 /nfs/dbraw/zinc/80/27/37/560802737.db2.gz AQEITSIQEALOEQ-UHFFFAOYSA-N 0 1 412.424 4.518 50 0 HJAAMN CCCC[C@H](CC)[C@@H]1c2c(O)n(-c3ccccc3C)c(O)c2ON1c1ccccc1 ZINC000102736791 560822623 /nfs/dbraw/zinc/82/26/23/560822623.db2.gz ZWVOJGSNYJKDCJ-JBJBFBLISA-N 0 1 406.526 4.890 50 0 HJAAMN CCCC[C@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccccc3C)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102736791 560822624 /nfs/dbraw/zinc/82/26/24/560822624.db2.gz ZWVOJGSNYJKDCJ-JBJBFBLISA-N 0 1 406.526 4.890 50 0 HJAAMN Cc1ccc(C)c([C@H](C)N[C@H]2c3ccccc3C[C@H]2NS(=O)(=O)c2ccccc2)c1 ZINC000103242059 560840480 /nfs/dbraw/zinc/84/04/80/560840480.db2.gz BOMDGRDQPRQHME-OWAUWMPXSA-N 0 1 420.578 4.599 50 0 HJAAMN C[C@@H]1CCC[C@H](NC(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)[C@H]1C ZINC000104173326 560848989 /nfs/dbraw/zinc/84/89/89/560848989.db2.gz 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ZINC000000949724 568755407 /nfs/dbraw/zinc/75/54/07/568755407.db2.gz USFJHLJNWJYQJZ-SFHVURJKSA-N 0 1 415.280 4.617 50 0 HJAAMN CCOC(=O)c1cnc2c(C(=O)[O-])cccc2c1Nc1ccc([NH+](CC)CC)cc1 ZINC000055408431 568774309 /nfs/dbraw/zinc/77/43/09/568774309.db2.gz RTKJGMVHRRJNAF-UHFFFAOYSA-N 0 1 407.470 4.700 50 0 HJAAMN Cc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1NS(=O)(=O)c1ccc(C)cc1 ZINC000002792424 568810103 /nfs/dbraw/zinc/81/01/03/568810103.db2.gz STRFSSALQCHBDS-UHFFFAOYSA-N 0 1 423.460 4.676 50 0 HJAAMN Cc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C(C)C)cc4)[nH]n3)C[C@H]2C)cc1 ZINC000057413305 568833310 /nfs/dbraw/zinc/83/33/10/568833310.db2.gz OVYRKKZKRXGMRN-LJQANCHMSA-N 0 1 402.542 4.859 50 0 HJAAMN CCOc1cc2c(cc1CNCc1cc(Cl)c3c(c1)OCCCO3)O[C@H](C)C2 ZINC000008345230 568994435 /nfs/dbraw/zinc/99/44/35/568994435.db2.gz ORXRJPGNZGMECK-CQSZACIVSA-N 0 1 403.906 4.513 50 0 HJAAMN Fc1ccc(OCCCSc2nc(-c3ccccc3Br)n[nH]2)cc1 ZINC000008394999 568999168 /nfs/dbraw/zinc/99/91/68/568999168.db2.gz BLQQKLNTRUHSNK-UHFFFAOYSA-N 0 1 408.296 4.935 50 0 HJAAMN CCc1cc([C@H](c2ccccc2)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546526 569000158 /nfs/dbraw/zinc/00/01/58/569000158.db2.gz FHTTVEJTHHKVLN-QFIPXVFZSA-N 0 1 423.582 4.883 50 0 HJAAMN CCOc1ccc(C(O)=C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2C)cc1 ZINC000035170925 569002141 /nfs/dbraw/zinc/00/21/41/569002141.db2.gz RFUZRHHAYJNCCI-IBGZPJMESA-N 0 1 403.482 4.505 50 0 HJAAMN O=S(=O)(c1cc(Cl)cc(Cl)c1)c1cnc2cc(Cl)c(F)cc2c1O ZINC000015829473 569011821 /nfs/dbraw/zinc/01/18/21/569011821.db2.gz UAKOUTMZZYYWTR-UHFFFAOYSA-N 0 1 406.649 4.873 50 0 HJAAMN O=c1c2cc(F)c(Cl)cc2[nH]cc1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000015829473 569011823 /nfs/dbraw/zinc/01/18/23/569011823.db2.gz UAKOUTMZZYYWTR-UHFFFAOYSA-N 0 1 406.649 4.873 50 0 HJAAMN O=C(c1ccc2c(=O)[nH]c(=S)[nH]c2c1)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000063809218 569016877 /nfs/dbraw/zinc/01/68/77/569016877.db2.gz XMEPSLZGJVZJGC-UHFFFAOYSA-N 0 1 403.866 4.595 50 0 HJAAMN COc1ccc(CN2CCCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000012928170 569024031 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419.569 4.722 50 0 HJAAMN COc1cccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCC(C)CC2)c1 ZINC000036345665 569143361 /nfs/dbraw/zinc/14/33/61/569143361.db2.gz VTGFUPQYPVVLDP-VWLOTQADSA-N 0 1 419.569 4.722 50 0 HJAAMN CC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 ZINC000036346027 569143553 /nfs/dbraw/zinc/14/35/53/569143553.db2.gz KZIQXMXKIATIMU-FQEVSTJZSA-N 0 1 409.505 4.847 50 0 HJAAMN CC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 ZINC000036346028 569143602 /nfs/dbraw/zinc/14/36/02/569143602.db2.gz KZIQXMXKIATIMU-HXUWFJFHSA-N 0 1 409.505 4.847 50 0 HJAAMN CC[NH+](CC)CCCn1c(-c2cccc(OC(F)(F)C(F)F)c2)n[n-]c1=S ZINC000006891349 569174069 /nfs/dbraw/zinc/17/40/69/569174069.db2.gz QVOZZERBVAOKSV-UHFFFAOYSA-N 0 1 406.449 4.576 50 0 HJAAMN Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3cccc(Cl)c3Cl)c(O)c12 ZINC000007424045 569238001 /nfs/dbraw/zinc/23/80/01/569238001.db2.gz DNTJNEDKFIFFFO-UHFFFAOYSA-N 0 1 413.264 4.581 50 0 HJAAMN CCOc1ccccc1-c1n[nH]c(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000014152384 569258749 /nfs/dbraw/zinc/25/87/49/569258749.db2.gz PUWLROCKUYAEEM-UHFFFAOYSA-N 0 1 422.432 4.620 50 0 HJAAMN CCc1ccc(N(C(=O)C(C)C)C2CCN(Cc3cc(OC)cc(OC)c3)CC2)cc1 ZINC000037587956 569308269 /nfs/dbraw/zinc/30/82/69/569308269.db2.gz DDFDNOHYRMPREJ-UHFFFAOYSA-N 0 1 424.585 4.920 50 0 HJAAMN COc1cccc(-c2nc3ccccc3c(Oc3cccc(NC(C)=O)c3)n2)c1O ZINC000002326013 569375334 /nfs/dbraw/zinc/37/53/34/569375334.db2.gz SJRFNJPITNTMGE-UHFFFAOYSA-N 0 1 401.422 4.762 50 0 HJAAMN CCOC(=O)c1ccc(Oc2nc(-c3cccc(OC)c3O)nc3ccccc32)cc1 ZINC000002434036 569399281 /nfs/dbraw/zinc/39/92/81/569399281.db2.gz VMDAIGPVMKEXHJ-UHFFFAOYSA-N 0 1 416.433 4.980 50 0 HJAAMN CCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CC)cc1OCC ZINC000008845835 571125539 /nfs/dbraw/zinc/12/55/39/571125539.db2.gz QUPBNEBVQKKLBF-HSZRJFAPSA-N 0 1 421.497 4.535 50 0 HJAAMN COc1ccc([C@@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CCCC2)cc1 ZINC000008917593 571153496 /nfs/dbraw/zinc/15/34/96/571153496.db2.gz BMSVBQGDZJKKSR-HXUWFJFHSA-N 0 1 412.917 4.970 50 0 HJAAMN CCOCCCC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000040132462 571184920 /nfs/dbraw/zinc/18/49/20/571184920.db2.gz UUKRNMXUEDDGMM-LJQANCHMSA-N 0 1 405.420 4.604 50 0 HJAAMN Cc1ccc2nc(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccco3)[nH]c2c1 ZINC000008965552 571191104 /nfs/dbraw/zinc/19/11/04/571191104.db2.gz FUJFGSSBKINUAA-KRWDZBQOSA-N 0 1 422.535 4.996 50 0 HJAAMN Cc1ccc(-c2n[nH]c(SCC(=O)N(C)[C@H](C)c3nc4ccccc4s3)n2)cc1 ZINC000009478679 571261907 /nfs/dbraw/zinc/26/19/07/571261907.db2.gz YNVYHNKLXCAKDV-CQSZACIVSA-N 0 1 423.567 4.702 50 0 HJAAMN COc1ccc(-c2nonc2NC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)cc1 ZINC000009577254 571269949 /nfs/dbraw/zinc/26/99/49/571269949.db2.gz YCROBTUVJSEMSW-UHFFFAOYSA-N 0 1 416.437 4.531 50 0 HJAAMN CC(=O)c1cccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)c1 ZINC000009699124 571280594 /nfs/dbraw/zinc/28/05/94/571280594.db2.gz AWCQZRFCYMZXHL-UHFFFAOYSA-N 0 1 421.309 4.712 50 0 HJAAMN Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccccc3-c3ccccc3)c(O)c12 ZINC000010166777 571295672 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/nfs/dbraw/zinc/32/10/21/557321021.db2.gz QPVPHOKBSAWVIP-UHFFFAOYSA-N 0 1 402.347 4.703 50 0 HJAAMN COc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c(Cl)c1Cl ZINC000002855463 557406841 /nfs/dbraw/zinc/40/68/41/557406841.db2.gz XQGBCBBNTBCDLV-UHFFFAOYSA-N 0 1 400.205 4.822 50 0 HJAAMN Fc1ccc(COc2ccc(Br)cc2CNCc2ccncc2)cc1 ZINC000004661537 557577908 /nfs/dbraw/zinc/57/79/08/557577908.db2.gz ULVCFGLOBJJNMH-UHFFFAOYSA-N 0 1 401.279 4.852 50 0 HJAAMN CCOc1ccc2nc(S[C@@H](C(=O)Nc3nccs3)c3ccccc3)[nH]c2c1 ZINC000008813109 557809539 /nfs/dbraw/zinc/80/95/39/557809539.db2.gz AJQKQZYFHOYWRZ-QGZVFWFLSA-N 0 1 410.524 4.890 50 0 HJAAMN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc(-c2cc(C)cc(C)c2O)n[nH]1 ZINC000008845579 557811942 /nfs/dbraw/zinc/81/19/42/557811942.db2.gz KUTLTXJXFIMBGM-UHFFFAOYSA-N 0 1 413.499 4.506 50 0 HJAAMN COc1cc(Cl)c(CN2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)cc1OC ZINC000011814203 558278528 /nfs/dbraw/zinc/27/85/28/558278528.db2.gz MGAPEMLRADUNBX-JOCHJYFZSA-N 0 1 424.368 4.828 50 0 HJAAMN COc1cc(CN[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)cc(Cl)c1OC ZINC000012028361 558310624 /nfs/dbraw/zinc/31/06/24/558310624.db2.gz FBHHKVCMSHNUPC-ZDUSSCGKSA-N 0 1 403.885 4.841 50 0 HJAAMN O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CCN(Cc2ccc(CO)o2)CC1 ZINC000012057464 558316420 /nfs/dbraw/zinc/31/64/20/558316420.db2.gz DJJRHIUGPPPXIB-UHFFFAOYSA-N 0 1 424.472 4.554 50 0 HJAAMN CCOc1cc(CN[C@@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)ccc1OC ZINC000012058640 558316861 /nfs/dbraw/zinc/31/68/61/558316861.db2.gz MZXHCSPOWBBOEH-HXUWFJFHSA-N 0 1 413.468 4.725 50 0 HJAAMN Cc1cc2nc(N(CCN(C)C)C(=O)c3ccc4ncsc4c3)sc2c(C)c1 ZINC000004359406 558451683 /nfs/dbraw/zinc/45/16/83/558451683.db2.gz COBWXYIRLAATBT-UHFFFAOYSA-N 0 1 410.568 4.731 50 0 HJAAMN COC(=O)c1sc2nc(CN3CCCC[C@H]3C)ccc2c1NC(=O)c1ccccc1 ZINC000012726674 558457151 /nfs/dbraw/zinc/45/71/51/558457151.db2.gz FPNUKLCZSUOFMQ-OAHLLOKOSA-N 0 1 423.538 4.710 50 0 HJAAMN O=C(Nc1ccnn1C1CCN(Cc2ccc(Cl)cc2)CC1)c1cccc(F)c1 ZINC000012755185 558459821 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C[C@H](NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)c1ccc(F)cc1 ZINC000014142351 558625508 /nfs/dbraw/zinc/62/55/08/558625508.db2.gz ICAVFXWIOMSTMK-KBXCAEBGSA-N 0 1 413.543 4.977 50 0 HJAAMN CN(C)[C@H](CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccsc1 ZINC000025330102 558638484 /nfs/dbraw/zinc/63/84/84/558638484.db2.gz NTMUEENSDQYTIM-CQSZACIVSA-N 0 1 410.383 4.818 50 0 HJAAMN Cc1c2cc(Br)ccc2oc1C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000027590789 558676906 /nfs/dbraw/zinc/67/69/06/558676906.db2.gz LQLGMZDDBSMLCL-QGZVFWFLSA-N 0 1 419.294 4.676 50 0 HJAAMN Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N(C)C)cc(=O)c2c1 ZINC000028289787 558696472 /nfs/dbraw/zinc/69/64/72/558696472.db2.gz NVAQVCNXWDSXKL-NRFANRHFSA-N 0 1 420.553 4.740 50 0 HJAAMN Cc1nnc(-c2cccc(NC(=O)C3CCN(Cc4ccccc4F)CC3)c2)s1 ZINC000015064791 558707732 /nfs/dbraw/zinc/70/77/32/558707732.db2.gz XUDBCOOAVCANTB-UHFFFAOYSA-N 0 1 410.518 4.503 50 0 HJAAMN CCc1ncc(CN2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)cn1 ZINC000015069021 558711494 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Cc1ccc2nc(CN([C@H](C)c3cccc(C(F)(F)F)c3)C3CC3)cc(=O)n2c1 ZINC000059578031 558937550 /nfs/dbraw/zinc/93/75/50/558937550.db2.gz NRSPPOUBAVUGLZ-OAHLLOKOSA-N 0 1 401.432 4.747 50 0 HJAAMN CSC1=NC(C)(C)C[C@]2(C[C@H](c3ccccc3)Oc3cc(OC(C)=O)ccc32)N1 ZINC000096602023 558981200 /nfs/dbraw/zinc/98/12/00/558981200.db2.gz IMFLNOWDDUVXEY-OFNKIYASSA-N 0 1 410.539 4.822 50 0 HJAAMN C[C@H](Sc1nc(C=Cc2ccc(F)cc2)n[nH]1)C(=O)Nc1ccc(F)c(F)c1F ZINC000096942189 559015031 /nfs/dbraw/zinc/01/50/31/559015031.db2.gz OMMCMRRSKBUPEY-FWAPLPHYSA-N 0 1 422.407 4.651 50 0 HJAAMN COc1ccc(CN2CCC(Nc3ccc(Br)cc3)CC2)c(OC)c1 ZINC000004749417 559047229 /nfs/dbraw/zinc/04/72/29/559047229.db2.gz IOVMUCRBAICBOJ-UHFFFAOYSA-N 0 1 405.336 4.543 50 0 HJAAMN Cc1ccc(-c2noc(-c3ccccc3S(=O)(=O)Nc3cccc(F)c3)n2)cc1 ZINC000033307040 559051902 /nfs/dbraw/zinc/05/19/02/559051902.db2.gz HGGHTEKMOVKBDQ-UHFFFAOYSA-N 0 1 409.442 4.652 50 0 HJAAMN O=C(CSc1n[nH]c(CC2CCCC2)n1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000011498584 559078553 /nfs/dbraw/zinc/07/85/53/559078553.db2.gz AQNXJBRIKKXIJK-UHFFFAOYSA-N 0 1 418.872 4.940 50 0 HJAAMN O=C(CSc1nc(CC2CCCC2)n[nH]1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000011498584 559078555 /nfs/dbraw/zinc/07/85/55/559078555.db2.gz AQNXJBRIKKXIJK-UHFFFAOYSA-N 0 1 418.872 4.940 50 0 HJAAMN O=C(CSc1n[nH]c(CC2CCCC2)n1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000011498734 559078646 /nfs/dbraw/zinc/07/86/46/559078646.db2.gz SUSPKYBZWIQXRK-UHFFFAOYSA-N 0 1 418.872 4.940 50 0 HJAAMN O=C(CSc1nc(CC2CCCC2)n[nH]1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000011498734 559078647 /nfs/dbraw/zinc/07/86/47/559078647.db2.gz SUSPKYBZWIQXRK-UHFFFAOYSA-N 0 1 418.872 4.940 50 0 HJAAMN CC[C@H]1CN(Cc2ccccc2)CCN1C(=O)CCc1ncc(-c2ccc(C)cc2)o1 ZINC000072303033 559124086 /nfs/dbraw/zinc/12/40/86/559124086.db2.gz WOYMHWGSVYUFFU-QHCPKHFHSA-N 0 1 417.553 4.706 50 0 HJAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H]1Nc2ccccc2C(=O)N1CCc1ccccc1 ZINC000100103199 559129795 /nfs/dbraw/zinc/12/97/95/559129795.db2.gz UBOHQNHSSQYXPL-XMMPIXPASA-N 0 1 424.504 4.696 50 0 HJAAMN COc1cccc(C[N@H+](CC(=O)N2CCS[C@@H]2c2ccc(F)cc2)CC(C)C)c1 ZINC000004827634 559155320 /nfs/dbraw/zinc/15/53/20/559155320.db2.gz PSTMDBPYPRTIBK-HSZRJFAPSA-N 0 1 416.562 4.567 50 0 HJAAMN COc1cccc(CN(CC(=O)N2CCS[C@@H]2c2ccc(F)cc2)CC(C)C)c1 ZINC000004827634 559155321 /nfs/dbraw/zinc/15/53/21/559155321.db2.gz PSTMDBPYPRTIBK-HSZRJFAPSA-N 0 1 416.562 4.567 50 0 HJAAMN CCSc1ccccc1C(=O)N(CCN(C)C)c1nc2ccc(F)cc2s1 ZINC000005242590 560549666 /nfs/dbraw/zinc/54/96/66/560549666.db2.gz MHKWDFJUAUULLM-UHFFFAOYSA-N 0 1 403.548 4.756 50 0 HJAAMN C[C@H](Sc1nc(-c2ccncc2)n[nH]1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000005530857 560607004 /nfs/dbraw/zinc/60/70/04/560607004.db2.gz YHSMCWISNCYMPO-HNNXBMFYSA-N 0 1 417.494 4.778 50 0 HJAAMN Cc1ccc(-n2nc3c4cc(C(=O)Nc5ccc(C)c(C)c5)ccc4[nH]cc-3c2=O)cc1 ZINC000101828185 560802694 /nfs/dbraw/zinc/80/26/94/560802694.db2.gz MGQRTIMTTSBLBO-UHFFFAOYSA-N 0 1 422.488 4.996 50 0 HJAAMN C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000102547395 560814739 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CC1(C)Cc2cc(CN3CCC(O)(Cc4cc(-c5ccccc5)no4)CC3)ccc2O1 ZINC000012702069 558447894 /nfs/dbraw/zinc/44/78/94/558447894.db2.gz HMMQLLIEEATFGJ-UHFFFAOYSA-N 0 1 418.537 4.625 50 0 HJAAMN O=C(Nc1cccc(-c2ccco2)c1)C1CCN(Cc2cccc3c2OCO3)CC1 ZINC000012703123 558448531 /nfs/dbraw/zinc/44/85/31/558448531.db2.gz JDRHFQRPELYPFG-UHFFFAOYSA-N 0 1 404.466 4.526 50 0 HJAAMN COc1ccc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)cc1Cn1cccn1 ZINC000012759217 558460887 /nfs/dbraw/zinc/46/08/87/558460887.db2.gz JBYLARROVLVBPI-FQEVSTJZSA-N 0 1 423.944 4.688 50 0 HJAAMN CCCC[C@@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)Nc1cc(C)on1 ZINC000022279487 558475713 /nfs/dbraw/zinc/47/57/13/558475713.db2.gz HMJNLEDKIPLVBE-CQSZACIVSA-N 0 1 405.911 4.711 50 0 HJAAMN CCc1ccc([C@@H](C)NCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000013041892 558507670 /nfs/dbraw/zinc/50/76/70/558507670.db2.gz WKVALISNJHUBHL-GOSISDBHSA-N 0 1 401.510 4.791 50 0 HJAAMN Cc1ccc(C)c(-c2n[nH]cc2CN2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)c1 ZINC000023310897 558548506 /nfs/dbraw/zinc/54/85/06/558548506.db2.gz HQYGYAXYQBEYFR-LJQANCHMSA-N 0 1 417.509 4.517 50 0 HJAAMN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](c2ccsc2)N(C)C)o1 ZINC000025329437 558638359 /nfs/dbraw/zinc/63/83/59/558638359.db2.gz PRJKANJDDZUJFY-HXUWFJFHSA-N 0 1 420.538 4.535 50 0 HJAAMN Brc1csc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC000027223147 558671122 /nfs/dbraw/zinc/67/11/22/558671122.db2.gz NPMCEYLGVXRGQZ-SFHVURJKSA-N 0 1 402.361 4.923 50 0 HJAAMN FC(F)(F)c1ccc(Cl)c(N2C(=S)N=NC2c2cc(-c3ccco3)[nH]n2)c1 ZINC000015985554 558765369 /nfs/dbraw/zinc/76/53/69/558765369.db2.gz AZNPSPJCZLPRCJ-UHFFFAOYSA-N 0 1 411.796 4.878 50 0 HJAAMN Cc1cc(N2CCN(Cc3ccccc3)CC2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000054284492 558867184 /nfs/dbraw/zinc/86/71/84/558867184.db2.gz GHRDNNZFFRKSQS-UHFFFAOYSA-N 0 1 417.944 4.680 50 0 HJAAMN CCOc1cc2[n-]c(=S)n(CCC[N@H+]3CCCC[C@H]3CC)c(=O)c2cc1OCC ZINC000004657953 558872106 /nfs/dbraw/zinc/87/21/06/558872106.db2.gz AWACEEJCBSRXQO-MRXNPFEDSA-N 0 1 419.591 4.511 50 0 HJAAMN Cc1cc(C)c2nc(C(F)(F)F)nc(N3CCN(Cc4ccccc4)CC3)c2c1 ZINC000055412340 558881172 /nfs/dbraw/zinc/88/11/72/558881172.db2.gz ASDUPYHJWTXWKX-UHFFFAOYSA-N 0 1 400.448 4.588 50 0 HJAAMN Cc1c([C@H](C)NCc2ccc(Oc3ncccn3)cc2)cnn1-c1cccc(F)c1 ZINC000082039289 559036044 /nfs/dbraw/zinc/03/60/44/559036044.db2.gz WCEMBQUPXOCUGL-INIZCTEOSA-N 0 1 403.461 4.753 50 0 HJAAMN CCCCOCCCNC(=O)c1ccc(-c2cc(-c3cccc(OC)c3)n[nH]2)cc1 ZINC000023305003 559095215 /nfs/dbraw/zinc/09/52/15/559095215.db2.gz OGKRTYSLNQGYGU-UHFFFAOYSA-N 0 1 407.514 4.689 50 0 biogenic HJAAMN COCCCNC(=O)CSc1[nH]c(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000004927885 559208228 /nfs/dbraw/zinc/20/82/28/559208228.db2.gz YKYYHDUXFZDXKX-UHFFFAOYSA-N 0 1 415.946 4.642 50 0 HJAAMN CCc1nnsc1C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000004941909 559213272 /nfs/dbraw/zinc/21/32/72/559213272.db2.gz VMWVUZGCVONNEE-UHFFFAOYSA-N 0 1 411.870 4.983 50 0 HJAAMN CN(C)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2c(cc(F)cc2F)s1 ZINC000005121745 559248562 /nfs/dbraw/zinc/24/85/62/559248562.db2.gz INULJHVFMABHPF-UHFFFAOYSA-N 0 1 415.509 4.662 50 0 HJAAMN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018023815 560771868 /nfs/dbraw/zinc/77/18/68/560771868.db2.gz XDFUWSLMORUIPV-VXNXHJTFSA-N 0 1 412.489 4.663 50 0 HJAAMN CCOc1ccc(C(O)=C2CC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2C)cc1 ZINC000046056618 568425885 /nfs/dbraw/zinc/42/58/85/568425885.db2.gz SJAQPGRZGAPNLA-KRWDZBQOSA-N 0 1 423.900 4.850 50 0 HJAAMN C[C@H](Sc1nc(C=Cc2ccc(F)cc2)n[nH]1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000014898027 568453295 /nfs/dbraw/zinc/45/32/95/568453295.db2.gz QWNHZPDRDUQCDV-GMMCIKNFSA-N 0 1 408.502 4.722 50 0 HJAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000019898050 568585437 /nfs/dbraw/zinc/58/54/37/568585437.db2.gz RALXSZXMLPFWFY-UHFFFAOYSA-N 0 1 419.956 4.686 50 0 HJAAMN COc1ccc(Sc2nsc(NC(=O)c3cc(-c4cccs4)on3)n2)cc1 ZINC000080345373 568602845 /nfs/dbraw/zinc/60/28/45/568602845.db2.gz ALNIBUQWBPZQIA-UHFFFAOYSA-N 0 1 416.509 4.667 50 0 HJAAMN CCCCOc1ccc([C@](O)(CCC)[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000020756617 568641430 /nfs/dbraw/zinc/64/14/30/568641430.db2.gz DIBAFDMSKKHAMC-IZZNHLLZSA-N 0 1 411.586 4.969 50 0 HJAAMN Cc1ccc(C)c([C@@H](c2ccccc2)N2CCN(C(=O)COc3ccccc3)CC2)c1 ZINC000096183780 568703110 /nfs/dbraw/zinc/70/31/10/568703110.db2.gz DXJGRDLNICXPNI-HHHXNRCGSA-N 0 1 414.549 4.616 50 0 HJAAMN C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014086504 568719422 /nfs/dbraw/zinc/71/94/22/568719422.db2.gz WXXWORPXSCHHCB-FUHWJXTLSA-N 0 1 411.546 4.662 50 0 HJAAMN C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014086504 568719423 /nfs/dbraw/zinc/71/94/23/568719423.db2.gz WXXWORPXSCHHCB-FUHWJXTLSA-N 0 1 411.546 4.662 50 0 HJAAMN Cc1ccc(-c2cc(C(=O)NC[C@@H](c3cccc(C(F)(F)F)c3)N(C)C)no2)cc1 ZINC000238950201 568727389 /nfs/dbraw/zinc/72/73/89/568727389.db2.gz XAOYVCVGDXNGTQ-IBGZPJMESA-N 0 1 417.431 4.702 50 0 HJAAMN CCn1c(-c2cc(NC(=O)CCc3ccc(OC)cc3)[nH]n2)cc2c1cccc2OC ZINC000096398631 568747588 /nfs/dbraw/zinc/74/75/88/568747588.db2.gz HQTFUPIVSWFARM-UHFFFAOYSA-N 0 1 418.497 4.640 50 0 HJAAMN CCOc1ccc(NC(=O)c2ccccc2NC(=O)CN[C@@H](C)c2ccccc2)cc1 ZINC000057315207 568826565 /nfs/dbraw/zinc/82/65/65/568826565.db2.gz WYEKGKARFDMDHV-SFHVURJKSA-N 0 1 417.509 4.627 50 0 HJAAMN Cn1c(Cc2nc(=O)c3sc4c(c3[nH]2)CC[C@@H](C(C)(C)C)C4)nc2ccccc21 ZINC000012535233 568845149 /nfs/dbraw/zinc/84/51/49/568845149.db2.gz RXFBIFKEJHZJFO-CYBMUJFWSA-N 0 1 406.555 4.613 50 0 HJAAMN O=c1c2cc(I)ccc2[nH]c(=S)n1CCC1=CCCCC1 ZINC000003043362 568848232 /nfs/dbraw/zinc/84/82/32/568848232.db2.gz ZBDKYRFOZUAFFG-UHFFFAOYSA-N 0 1 412.296 4.554 50 0 HJAAMN Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@H](c2ccco2)N2CCCCC2)s1 ZINC000012569529 568861360 /nfs/dbraw/zinc/86/13/60/568861360.db2.gz KLCKKTSOZWUBTM-HXUWFJFHSA-N 0 1 423.582 4.906 50 0 HJAAMN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000012634702 568883758 /nfs/dbraw/zinc/88/37/58/568883758.db2.gz VOJJKJHXZNLGIX-UHFFFAOYSA-N 0 1 423.947 4.802 50 0 HJAAMN Cc1ccccc1Cn1cnc2c1cc(C)c(C)c2NS(=O)(=O)c1ccc(F)cc1 ZINC000001391854 568924546 /nfs/dbraw/zinc/92/45/46/568924546.db2.gz NCPAGTXJCUMNKK-UHFFFAOYSA-N 0 1 423.513 4.950 50 0 HJAAMN COc1c(C)ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c1C ZINC000031722657 568929780 /nfs/dbraw/zinc/92/97/80/568929780.db2.gz WAYKUZVVKWPSHB-UHFFFAOYSA-N 0 1 404.713 4.529 50 0 HJAAMN CCCOc1ccc(C(O)=C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc1 ZINC000035171052 569002155 /nfs/dbraw/zinc/00/21/55/569002155.db2.gz DZMIZUFQUSEGHF-HXUWFJFHSA-N 0 1 403.482 4.587 50 0 HJAAMN Cc1ccc(-c2nc(CC(=O)NC[C@@H](c3ccco3)N3CCCCC3)cs2)cc1 ZINC000012903464 569020945 /nfs/dbraw/zinc/02/09/45/569020945.db2.gz QNUSIDDVKWUGHO-FQEVSTJZSA-N 0 1 409.555 4.597 50 0 HJAAMN c1ccc(CNc2nc(N3CCN(Cc4ccccc4)CC3)nc3ccccc32)cc1 ZINC000090506803 569040497 /nfs/dbraw/zinc/04/04/97/569040497.db2.gz AVLXXJCJVHLDEQ-UHFFFAOYSA-N 0 1 409.537 4.564 50 0 HJAAMN COc1cc([C@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3ccccc3S2)ccc1O ZINC000137818805 569045260 /nfs/dbraw/zinc/04/52/60/569045260.db2.gz GSXARWKBUWXWEH-HXUWFJFHSA-N 0 1 409.463 4.726 50 0 HJAAMN COc1cc([C@H]2CC(c3c(O)cc(C)oc3=O)=Nc3ccccc3S2)ccc1O ZINC000137818805 569045261 /nfs/dbraw/zinc/04/52/61/569045261.db2.gz GSXARWKBUWXWEH-HXUWFJFHSA-N 0 1 409.463 4.726 50 0 HJAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc(OC(F)(F)F)cc1 ZINC000006382882 569046271 /nfs/dbraw/zinc/04/62/71/569046271.db2.gz NDMGLXFZMSPGEL-UHFFFAOYSA-N 0 1 401.797 4.846 50 0 HJAAMN O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc(COc2ccccc2)cc1 ZINC000013009121 569049907 /nfs/dbraw/zinc/04/99/07/569049907.db2.gz XDRBZXIJIUFPCP-HSZRJFAPSA-N 0 1 404.510 4.816 50 0 HJAAMN Cc1[nH]c2ccccc2c1[C@H](c1ccncc1)N1CCN(c2ccccc2F)CC1 ZINC000054105762 569057482 /nfs/dbraw/zinc/05/74/82/569057482.db2.gz BQXJUUKVIURCHV-VWLOTQADSA-N 0 1 400.501 4.922 50 0 HJAAMN Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000006471548 569058068 /nfs/dbraw/zinc/05/80/68/569058068.db2.gz BXANCKZDDFFUSC-UHFFFAOYSA-N 0 1 400.887 4.702 50 0 HJAAMN CN(C)[C@@H](CNc1nc(-c2cccnc2)nc2sc3c(c21)CCC3)c1ccco1 ZINC000006541412 569064734 /nfs/dbraw/zinc/06/47/34/569064734.db2.gz GCSHYHBRMWJLMK-INIZCTEOSA-N 0 1 405.527 4.550 50 0 HJAAMN CCc1nc2sc([C@@H](c3cccc(C(F)(F)F)c3)[N@H+]3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000016690051 569070561 /nfs/dbraw/zinc/07/05/61/569070561.db2.gz MZUKNHVZUQMFLD-MLGOLLRUSA-N 0 1 424.492 4.899 50 0 HJAAMN CCC[C@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146318 569098679 /nfs/dbraw/zinc/09/86/79/569098679.db2.gz FDNWKKVCEHPPHI-SFTDATJTSA-N 0 1 404.913 4.635 50 0 HJAAMN Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)Nc2ccc(F)c(Cl)c2)on1 ZINC000064845566 569108074 /nfs/dbraw/zinc/10/80/74/569108074.db2.gz IMWFFGPDRVSEKN-UHFFFAOYSA-N 0 1 400.884 4.922 50 0 HJAAMN COc1ccc(-c2c(C)oc3cc(OCCN4CCCCC4)ccc3c2=O)cc1OC ZINC000006759214 569113179 /nfs/dbraw/zinc/11/31/79/569113179.db2.gz QWMWBRNZQVDFOC-UHFFFAOYSA-N 0 1 423.509 4.650 50 0 biogenic HJAAMN CCCN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](C)O ZINC000036316510 569135230 /nfs/dbraw/zinc/13/52/30/569135230.db2.gz OWGUDXHBWCGLTL-GOSISDBHSA-N 0 1 411.521 4.959 50 0 HJAAMN COc1ccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@@H](c3cc(C)ccc3C)C2)cc1 ZINC000036344573 569142619 /nfs/dbraw/zinc/14/26/19/569142619.db2.gz UQKKPSSMJMYUJJ-RUZDIDTESA-N 0 1 419.569 4.722 50 0 HJAAMN COc1cccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCCC[C@@H]2C)c1 ZINC000036345688 569143351 /nfs/dbraw/zinc/14/33/51/569143351.db2.gz PNJWCAYMOOHPGG-NBGIEHNGSA-N 0 1 419.569 4.864 50 0 HJAAMN CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 ZINC000006930202 569183974 /nfs/dbraw/zinc/18/39/74/569183974.db2.gz NAKBLGRERLBLGV-UHFFFAOYSA-N 0 1 414.527 4.645 50 0 HJAAMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)N(Cc1ccco1)C1=CCCCC1 ZINC000009909559 569251582 /nfs/dbraw/zinc/25/15/82/569251582.db2.gz JDOQTGQEOFYXGD-UHFFFAOYSA-N 0 1 412.490 4.783 50 0 HJAAMN Cc1ccc(C)c(NS(=O)(=O)c2cc(Br)ccc2Br)c1 ZINC000011635159 569291449 /nfs/dbraw/zinc/29/14/49/569291449.db2.gz SUSAHYVYSOTYNF-UHFFFAOYSA-N 0 1 419.138 4.629 50 0 HJAAMN COc1ccc([C@H](NC(=O)CN2CCC[C@@H]2c2cccs2)c2ccccc2)cc1 ZINC000007606423 569295181 /nfs/dbraw/zinc/29/51/81/569295181.db2.gz WPBDKNVLMQCNAY-ZJSXRUAMSA-N 0 1 406.551 4.799 50 0 HJAAMN O=C(CSc1nc(-c2ccccc2)n[nH]1)N[C@@H](c1cccs1)c1ccccc1 ZINC000007733522 569304447 /nfs/dbraw/zinc/30/44/47/569304447.db2.gz WPZYJIDYHOFAKR-LJQANCHMSA-N 0 1 406.536 4.531 50 0 HJAAMN CCCC(=O)N(c1cccc(C)c1)C1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000037560077 569306964 /nfs/dbraw/zinc/30/69/64/569306964.db2.gz CSDGDQAQJGMXTQ-UHFFFAOYSA-N 0 1 410.558 4.810 50 0 HJAAMN CCc1ccc(-c2nc(-c3ccccc3)c(SCC(=O)NC[C@@H]3CCCO3)[nH]2)cc1 ZINC000013365799 569412233 /nfs/dbraw/zinc/41/22/33/569412233.db2.gz SQFDLIHBNQVALY-FQEVSTJZSA-N 0 1 421.566 4.693 50 0 HJAAMN COc1ccc(CN(C)Cc2cccc(SC(=O)N(C)C)c2)cc1OC(F)F ZINC000079053315 569425684 /nfs/dbraw/zinc/42/56/84/569425684.db2.gz IMSQICPXDMAPPI-UHFFFAOYSA-N 0 1 410.486 4.702 50 0 HJAAMN Cc1ccccc1N1OC2=C([O-])N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]1c1cccs1 ZINC000238924101 571046543 /nfs/dbraw/zinc/04/65/43/571046543.db2.gz QZCDVQBDBIBHHP-ZCNNSNEGSA-N 0 1 424.909 4.761 50 0 HJAAMN Cc1ccccc1N1O[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]1c1cccs1 ZINC000238924101 571046546 /nfs/dbraw/zinc/04/65/46/571046546.db2.gz QZCDVQBDBIBHHP-ZCNNSNEGSA-N 0 1 424.909 4.761 50 0 HJAAMN Cc1ccc(O)c(-c2[nH]nc3c2[C@H](c2ccc(F)cc2)N(Cc2ccco2)C3=O)c1 ZINC000008606613 571092285 /nfs/dbraw/zinc/09/22/85/571092285.db2.gz MLHCQZDSAJKJLL-QFIPXVFZSA-N 0 1 403.413 4.568 50 0 aggregator HJAAMN COc1ccccc1Oc1ccc(NC(=O)NC[C@H](c2cccs2)N(C)C)cc1 ZINC000040104322 571165190 /nfs/dbraw/zinc/16/51/90/571165190.db2.gz MKBSNNXMNDXJAJ-GOSISDBHSA-N 0 1 411.527 4.973 50 0 HJAAMN COc1ccccc1C1=NN(C(=O)CN2CCCC[C@H]2C)[C@H](c2ccc(C)cc2)C1 ZINC000245279949 571222703 /nfs/dbraw/zinc/22/27/03/571222703.db2.gz KSSOMGAEUWGTST-XXBNENTESA-N 0 1 405.542 4.556 50 0 HJAAMN COc1ccc2c(CC(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)coc2c1 ZINC000009377232 571253060 /nfs/dbraw/zinc/25/30/60/571253060.db2.gz BQSNVWQVDMPQQF-NRFANRHFSA-N 0 1 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Cc1cccc(CNC(=O)c2ccc(C)nc2C2CCN(Cc3ccoc3)CC2)c1 ZINC000034725838 557442735 /nfs/dbraw/zinc/44/27/35/557442735.db2.gz BTMBPBMQDOFABI-UHFFFAOYSA-N 0 1 403.526 4.601 50 0 HJAAMN COC(=O)Nc1ccc2c(c1)N(C(=O)[C@@H](C)N1CCCCC1)c1ccccc1CC2 ZINC000005020536 557626509 /nfs/dbraw/zinc/62/65/09/557626509.db2.gz HWCPUNDHQJXCBF-QGZVFWFLSA-N 0 1 407.514 4.503 50 0 HJAAMN COC(=O)c1ccc(COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1 ZINC000005910230 557680678 /nfs/dbraw/zinc/68/06/78/557680678.db2.gz DWHMSCZNTMLIDR-UHFFFAOYSA-N 0 1 402.402 4.531 50 0 biogenic HJAAMN OC[C@@]1(Cc2ccc(F)cc2F)CCCN(Cc2c[nH]nc2C2CCCCC2)C1 ZINC000011663425 558267030 /nfs/dbraw/zinc/26/70/30/558267030.db2.gz MYPQFTIVGKABJV-HSZRJFAPSA-N 0 1 403.517 4.553 50 0 HJAAMN CCN1C[C@@H](CN(C)Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)CC1=O ZINC000011878529 558293075 /nfs/dbraw/zinc/29/30/75/558293075.db2.gz ABZHYZFGMOHIPZ-LJQANCHMSA-N 0 1 419.525 4.743 50 0 HJAAMN CC1(CCC(=O)N(C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)CC1 ZINC000011934900 558298829 /nfs/dbraw/zinc/29/88/29/558298829.db2.gz GJLBZXJIXOZYCH-QFIPXVFZSA-N 0 1 416.581 4.626 50 0 HJAAMN CCCn1ncc(CN2CCC[C@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)c1C ZINC000012192958 558348440 /nfs/dbraw/zinc/34/84/40/558348440.db2.gz GADWXYQRYAOHRZ-QFIPXVFZSA-N 0 1 405.542 4.858 50 0 HJAAMN CCOc1cc(CN[C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)ccc1OC ZINC000012299264 558369253 /nfs/dbraw/zinc/36/92/53/558369253.db2.gz LUVNLCABHQAPMB-CQSZACIVSA-N 0 1 401.457 4.717 50 0 HJAAMN Cc1c([C@@H](C)NCc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)cnn1C ZINC000012315743 558379122 /nfs/dbraw/zinc/37/91/22/558379122.db2.gz MBDOYHYQUXBBFT-QGZVFWFLSA-N 0 1 403.505 4.880 50 0 HJAAMN c1ccc(CN2CCN(CCOCCOc3ccccc3-c3ccccc3)CC2)cc1 ZINC000020500142 558380680 /nfs/dbraw/zinc/38/06/80/558380680.db2.gz KTJFSNZMMFRYOH-UHFFFAOYSA-N 0 1 416.565 4.567 50 0 HJAAMN Cc1[nH]c2ccccc2c1[C@@H](C(=O)[O-])N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000020720788 558402705 /nfs/dbraw/zinc/40/27/05/558402705.db2.gz ZIVDXWXOKMLHEV-VWLOTQADSA-N 0 1 413.521 4.573 50 0 HJAAMN CN(C)CCN(C(=O)c1nc2ccccc2s1)c1nc2c(cccc2Cl)s1 ZINC000004359312 558450849 /nfs/dbraw/zinc/45/08/49/558450849.db2.gz GWJRAWAPCMNMJA-UHFFFAOYSA-N 0 1 416.959 4.768 50 0 HJAAMN COc1ccccc1[C@H](C)NC(=O)[C@H](C)Sc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000022253287 558474085 /nfs/dbraw/zinc/47/40/85/558474085.db2.gz MWONKPZCBYPVLC-RDJZCZTQSA-N 0 1 409.555 4.676 50 0 HJAAMN CC(C)(C)C(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000022843525 558516310 /nfs/dbraw/zinc/51/63/10/558516310.db2.gz QRWVJRAOOJLZNK-UHFFFAOYSA-N 0 1 401.315 4.779 50 0 HJAAMN CSc1ccccc1C(=O)N1CCC(c2[nH]ncc2CCc2ccccc2)CC1 ZINC000023541012 558561223 /nfs/dbraw/zinc/56/12/23/558561223.db2.gz ITAZAVCMVYKUJT-UHFFFAOYSA-N 0 1 405.567 4.937 50 0 HJAAMN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000023804790 558576154 /nfs/dbraw/zinc/57/61/54/558576154.db2.gz UZRIKSUXAVZHGO-CJNGLKHVSA-N 0 1 413.370 4.776 50 0 HJAAMN O=C(CCc1nc2ccccc2s1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000023936664 558581890 /nfs/dbraw/zinc/58/18/90/558581890.db2.gz ZWNTXSLZDCLMAP-UHFFFAOYSA-N 0 1 415.562 4.727 50 0 HJAAMN COc1ccc(CCN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1OC ZINC000023956376 558582656 /nfs/dbraw/zinc/58/26/56/558582656.db2.gz DZAFYXPXGXOCDX-RUZDIDTESA-N 0 1 414.505 4.941 50 0 HJAAMN COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000024226603 558592832 /nfs/dbraw/zinc/59/28/32/558592832.db2.gz XWDDNUQRQSWDRB-UHFFFAOYSA-N 0 1 411.104 4.565 50 0 HJAAMN CC(C)c1cc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)c2cnn(C(C)C)c2n1 ZINC000014085146 558618716 /nfs/dbraw/zinc/61/87/16/558618716.db2.gz NJSQAAVKABLHCG-NRFANRHFSA-N 0 1 423.561 4.686 50 0 HJAAMN COc1ccc(C(C)=O)cc1CN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000025076447 558630590 /nfs/dbraw/zinc/63/05/90/558630590.db2.gz MFJBOUJDLYHTCU-UHFFFAOYSA-N 0 1 420.475 4.625 50 0 HJAAMN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl)c1ccc2[nH]nnc2c1 ZINC000025180228 558633945 /nfs/dbraw/zinc/63/39/45/558633945.db2.gz MMUROCRBJRWLCK-KRWDZBQOSA-N 0 1 415.884 4.655 50 0 HJAAMN Cc1ccc(C(C)C)c(OCC(=O)NC[C@H](c2cccs2)N2CCCCC2)c1 ZINC000027580643 558675810 /nfs/dbraw/zinc/67/58/10/558675810.db2.gz PTGTYAMUAPGYCZ-HXUWFJFHSA-N 0 1 400.588 4.902 50 0 HJAAMN Cc1cccc(-c2ccc(NC(=O)C3CCN(Cc4ccc(CO)o4)CC3)cc2)c1 ZINC000015065987 558708854 /nfs/dbraw/zinc/70/88/54/558708854.db2.gz JDQFVRVSSWCLSV-UHFFFAOYSA-N 0 1 404.510 4.598 50 0 HJAAMN COc1ccc(CN[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)c(OC)c1 ZINC000015074637 558715308 /nfs/dbraw/zinc/71/53/08/558715308.db2.gz PAIYPYVXAQBAOJ-NRFANRHFSA-N 0 1 409.505 4.832 50 0 HJAAMN Cc1ccc(-c2cc(C(=O)NC[C@@H](c3cccs3)N3CCC(C)CC3)no2)cc1 ZINC000015859994 558757890 /nfs/dbraw/zinc/75/78/90/558757890.db2.gz PLTQFXCBDMROMH-FQEVSTJZSA-N 0 1 409.555 4.915 50 0 HJAAMN CCc1ccc(OC)c(S(=O)(=O)Nc2cccc(-c3cn4cccc(C)c4n3)c2)c1 ZINC000016780403 558806805 /nfs/dbraw/zinc/80/68/05/558806805.db2.gz XOFPPVAIOYLNSD-UHFFFAOYSA-N 0 1 421.522 4.682 50 0 HJAAMN Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)Nc1ccc(F)cc1C ZINC000033173876 558902019 /nfs/dbraw/zinc/90/20/19/558902019.db2.gz KDZDVTCHOZWECU-UHFFFAOYSA-N 0 1 419.425 4.714 50 0 HJAAMN Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)Nc1ccc(C)c(C)c1 ZINC000033173839 558902175 /nfs/dbraw/zinc/90/21/75/558902175.db2.gz MJHJJZCTTLVKBW-UHFFFAOYSA-N 0 1 415.462 4.883 50 0 HJAAMN CCCCc1nc(SCC(=O)Nc2ccc(OC(F)(F)Cl)cc2)[nH]c1C ZINC000004629792 558933331 /nfs/dbraw/zinc/93/33/31/558933331.db2.gz DUPIOKNYDISPNO-UHFFFAOYSA-N 0 1 403.882 4.959 50 0 HJAAMN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c(C(F)(F)F)c1 ZINC000011265261 559017435 /nfs/dbraw/zinc/01/74/35/559017435.db2.gz RCEQYAFJVSEKSY-UHFFFAOYSA-N 0 1 408.401 4.618 50 0 HJAAMN Cc1[nH]nc(-c2c(C)sc(C)c2S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1C ZINC000033306744 559051820 /nfs/dbraw/zinc/05/18/20/559051820.db2.gz MXJCTHXKFUSFOS-UHFFFAOYSA-N 0 1 413.927 4.965 50 0 HJAAMN Cc1ccc(NS(=O)(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000033307133 559051969 /nfs/dbraw/zinc/05/19/69/559051969.db2.gz SZZSIFGTQIFOLG-UHFFFAOYSA-N 0 1 409.442 4.652 50 0 HJAAMN CC[C@H](Sc1nc(Cc2ccc(O)cc2)c(C)[nH]1)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000004945539 559214056 /nfs/dbraw/zinc/21/40/56/559214056.db2.gz NVIPXBLBOLZZOU-NRFANRHFSA-N 0 1 423.538 4.727 50 0 HJAAMN COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)ccc1O ZINC000007064864 560206650 /nfs/dbraw/zinc/20/66/50/560206650.db2.gz YQITXDDUZAGSSZ-NMNUPHIUSA-N 0 1 401.934 4.923 50 0 biogenic,in-vitro HJAAMN Cc1ccc(NC(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(C)cc5)nc-4c3c2)cc1 ZINC000101828152 560802627 /nfs/dbraw/zinc/80/26/27/560802627.db2.gz MWQLIJLLIJMQOO-UHFFFAOYSA-N 0 1 408.461 4.688 50 0 HJAAMN C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000102547404 560814769 /nfs/dbraw/zinc/81/47/69/560814769.db2.gz JVQMYTVWBQRPME-UPJWGTAASA-N 0 1 423.380 4.504 50 0 HJAAMN C[C@@H]1CCC[C@H](C)N1[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000103683543 560843858 /nfs/dbraw/zinc/84/38/58/560843858.db2.gz JUQKPGKVJWZPAC-LLGFUMIMSA-N 0 1 406.979 4.623 50 0 HJAAMN CCOc1ccc(-c2cc(C(=O)Nc3ccc(Br)c(C)c3)[nH]n2)cc1 ZINC000051315504 560856148 /nfs/dbraw/zinc/85/61/48/560856148.db2.gz FJMGLYQIHBHPPX-UHFFFAOYSA-N 0 1 400.276 4.799 50 0 HJAAMN CCC[C@H](O)CN(Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984437 560859040 /nfs/dbraw/zinc/85/90/40/560859040.db2.gz PJQRPLUIFPUTDT-RBBKRZOGSA-N 0 1 416.949 4.505 50 0 HJAAMN CCC[C@@H](O)CN(Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984440 560859087 /nfs/dbraw/zinc/85/90/87/560859087.db2.gz PJQRPLUIFPUTDT-IFMALSPDSA-N 0 1 416.949 4.505 50 0 HJAAMN CCCN(Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(C(C)(C)C)sc2n1 ZINC000046032258 568424594 /nfs/dbraw/zinc/42/45/94/568424594.db2.gz NPWLLJRGOWTEAG-UHFFFAOYSA-N 0 1 404.967 4.514 50 0 HJAAMN Cc1nn(-c2ccc(F)cc2F)c2c1C(=C(O)c1ccc(C(C)C)cc1)CC(=O)N2 ZINC000046057214 568426097 /nfs/dbraw/zinc/42/60/97/568426097.db2.gz ONGFGEKFPKGRDN-QGZVFWFLSA-N 0 1 409.436 4.891 50 0 HJAAMN COc1ccc(CNCc2c(OC(F)F)ccc3ccccc32)c(OC)c1OC ZINC000048747632 568443384 /nfs/dbraw/zinc/44/33/84/568443384.db2.gz UDYULNFRJYWVKH-UHFFFAOYSA-N 0 1 403.425 4.757 50 0 HJAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2ccccc2F)N1CCc1ccccc1 ZINC000006752876 568458501 /nfs/dbraw/zinc/45/85/01/568458501.db2.gz SJQAQESBFCCTGN-XMMPIXPASA-N 0 1 413.452 4.709 50 0 HJAAMN CCCCC[C@](O)(c1ccc(OCC)cc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000020034588 568586466 /nfs/dbraw/zinc/58/64/66/568586466.db2.gz YCFYBSDXXBXJMC-FTJBHMTQSA-N 0 1 411.586 4.969 50 0 HJAAMN CC(C)OC(=O)c1cccnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020389097 568604038 /nfs/dbraw/zinc/60/40/38/568604038.db2.gz UTGVBAYWBOSQOO-UHFFFAOYSA-N 0 1 415.537 4.558 50 0 HJAAMN CC(C)c1ccc(OCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000095394972 568604401 /nfs/dbraw/zinc/60/44/01/568604401.db2.gz NOKVVUSHAXDWSQ-UHFFFAOYSA-N 0 1 400.950 4.623 50 0 HJAAMN Cc1cc(C)c2c(n1)sc(C(=O)N1CCN(C3CCCCC3)CC1)c2-n1cccc1 ZINC000020465892 568610346 /nfs/dbraw/zinc/61/03/46/568610346.db2.gz WMENZLMWOPDYJC-UHFFFAOYSA-N 0 1 422.598 4.794 50 0 HJAAMN Cc1csc(CN(C)C(=O)[C@@H]2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000095465659 568623748 /nfs/dbraw/zinc/62/37/48/568623748.db2.gz CWJWWHNDQUAONR-LSDHHAIUSA-N 0 1 402.951 4.914 50 0 HJAAMN Cc1cc(O)c([C@@H](c2cccc(Cl)c2)N2CCCCC2)c(=O)n1Cc1ccco1 ZINC000021098165 568665880 /nfs/dbraw/zinc/66/58/80/568665880.db2.gz NKIWYPYPUNUFIH-JOCHJYFZSA-N 0 1 412.917 4.732 50 0 HJAAMN CCOc1ccccc1C(=O)Nc1cc(-c2cc3c(cccc3OC)n2CC)n[nH]1 ZINC000096400304 568749695 /nfs/dbraw/zinc/74/96/95/568749695.db2.gz OZWDDMUTYISOSD-UHFFFAOYSA-N 0 1 404.470 4.711 50 0 HJAAMN Cn1c(Cc2nc(=O)c3sc4c(c3[nH]2)CC[C@H](C(C)(C)C)C4)nc2ccccc21 ZINC000012535234 568845065 /nfs/dbraw/zinc/84/50/65/568845065.db2.gz RXFBIFKEJHZJFO-ZDUSSCGKSA-N 0 1 406.555 4.613 50 0 HJAAMN C[C@@H]1CN(C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000012561502 568858538 /nfs/dbraw/zinc/85/85/38/568858538.db2.gz MUDFBKCKCRBPPG-MRUHUIDDSA-N 0 1 424.368 4.570 50 0 HJAAMN COc1ccc(Br)cc1CNCc1c(C)nn(Cc2ccccc2)c1C ZINC000012861688 569011868 /nfs/dbraw/zinc/01/18/68/569011868.db2.gz JVXWJHMIFFLNJM-UHFFFAOYSA-N 0 1 414.347 4.609 50 0 HJAAMN COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3cccc4ccccc43)n2)cc1 ZINC000006141779 569014346 /nfs/dbraw/zinc/01/43/46/569014346.db2.gz YDVJXYZOVIZVIY-CQSZACIVSA-N 0 1 404.495 4.753 50 0 HJAAMN O=C(Nc1ccc(Cl)cc1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000006146972 569014551 /nfs/dbraw/zinc/01/45/51/569014551.db2.gz LZHHIYCFOTYEOG-UHFFFAOYSA-N 0 1 404.850 4.532 50 0 HJAAMN COc1ccc(C(=O)Nc2ccc3nc(CCc4ccccc4)[nH]c3c2)c(OC)c1 ZINC000015863846 569016280 /nfs/dbraw/zinc/01/62/80/569016280.db2.gz QUAPICDPCHXMMN-UHFFFAOYSA-N 0 1 401.466 4.618 50 0 HJAAMN N#CC(C(=O)OCc1ccccc1)=C1N=C(c2ccccc2)C=C(c2ccccc2)N1 ZINC000006111675 569027293 /nfs/dbraw/zinc/02/72/93/569027293.db2.gz ZHLJHZKCJSWWBO-YYDJUVGSSA-N 0 1 405.457 4.599 50 0 HJAAMN CCCC[C@H](CC)[C@@H]1c2c(O)n(-c3ccccc3C)c(O)c2ON1c1ccccc1 ZINC000226992348 569039920 /nfs/dbraw/zinc/03/99/20/569039920.db2.gz ZWVOJGSNYJKDCJ-XSEFMFLKSA-N 0 1 406.526 4.890 50 0 HJAAMN CCCC[C@H](CC)[C@@H]1[C@@H]2C(=O)N(c3ccccc3C)C(=O)[C@@H]2ON1c1ccccc1 ZINC000226992348 569039921 /nfs/dbraw/zinc/03/99/21/569039921.db2.gz ZWVOJGSNYJKDCJ-XSEFMFLKSA-N 0 1 406.526 4.890 50 0 HJAAMN Cc1ccc(Cl)cc1N1CCN(C[C@H](O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000239432913 569054342 /nfs/dbraw/zinc/05/43/42/569054342.db2.gz WWJTXTCUTDBECO-CMCISMSHSA-N 0 1 423.041 4.609 50 0 HJAAMN Cc1[nH]c2ccccc2c1[C@@H](c1ccncc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000054105763 569057488 /nfs/dbraw/zinc/05/74/88/569057488.db2.gz DWLQQSQXUARJQP-RUZDIDTESA-N 0 1 400.501 4.922 50 0 HJAAMN OC(=COc1ccccc1)n1nc(-c2ccco2)nc1NCc1ccccc1Cl ZINC000006475653 569058513 /nfs/dbraw/zinc/05/85/13/569058513.db2.gz LRHGRLGXMHALDL-UHFFFAOYSA-N 0 1 408.845 4.523 50 0 HJAAMN Fc1cccc(Cl)c1C=NNc1nn2c(nnc2C(F)(F)F)c2ccccc21 ZINC000252622977 569060822 /nfs/dbraw/zinc/06/08/22/569060822.db2.gz OGYZAHKDEKKKRT-UHFFFAOYSA-N 0 1 408.746 4.535 50 0 HJAAMN CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1cc(C)cc(C)c1 ZINC000064670182 569079070 /nfs/dbraw/zinc/07/90/70/569079070.db2.gz BBLUZWOFLKTONC-UHFFFAOYSA-N 0 1 402.541 4.935 50 0 HJAAMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NC2CCCCC2)CC1 ZINC000006772212 569117429 /nfs/dbraw/zinc/11/74/29/569117429.db2.gz LQARLQSOVOJVPJ-UHFFFAOYSA-N 0 1 415.965 4.964 50 0 HJAAMN Cc1cc(C(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)c(C)n1-c1nccs1 ZINC000006879101 569165193 /nfs/dbraw/zinc/16/51/93/569165193.db2.gz GLZOSRGIQKZIIG-UHFFFAOYSA-N 0 1 409.540 4.619 50 0 HJAAMN CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000007055925 569214456 /nfs/dbraw/zinc/21/44/56/569214456.db2.gz QINWRODQIGYMSJ-UHFFFAOYSA-N 0 1 408.504 4.967 50 0 HJAAMN FC(F)(F)c1nc2ccccc2n1CC1CCN(Cc2cn3ccccc3n2)CC1 ZINC000036708938 569223818 /nfs/dbraw/zinc/22/38/18/569223818.db2.gz JBAHNGCOMUMACN-UHFFFAOYSA-N 0 1 413.447 4.615 50 0 HJAAMN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000040156098 571203300 /nfs/dbraw/zinc/20/33/00/571203300.db2.gz TVUWOJBDIHZKAW-UHFFFAOYSA-N 0 1 401.451 4.902 50 0 HJAAMN O=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000040157734 571204313 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COc1cccc(N(C(=O)C2COc3ccccc3O2)c2nc3ccccc3s2)c1 ZINC000009949733 571291319 /nfs/dbraw/zinc/29/13/19/571291319.db2.gz LATXSIVTJHLEDU-HXUWFJFHSA-N 0 1 418.474 4.810 50 0 HJAAMN COc1ccc(CN2CCCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000010413496 571302168 /nfs/dbraw/zinc/30/21/68/571302168.db2.gz HZLBIPXXYYZAEB-UHFFFAOYSA-N 0 1 408.329 4.742 50 0 HJAAMN FC(F)(F)Oc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000004980279 132297374 /nfs/dbraw/zinc/29/73/74/132297374.db2.gz YYLBUVHXVXCTBF-UHFFFAOYSA-N 0 1 404.354 4.926 50 0 HJAAMN Cc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4c5ccccc5ccc4N(C)C3)C2=O)c(C)c1 ZINC000008974388 132334408 /nfs/dbraw/zinc/33/44/08/132334408.db2.gz JQFYPQGQFAACIX-VWLOTQADSA-N 0 1 413.477 4.559 50 0 HJAAMN COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cn1 ZINC000032915875 522282289 /nfs/dbraw/zinc/28/22/89/522282289.db2.gz ISBJTVWEUHLDKW-UHFFFAOYSA-N 0 1 404.875 4.645 50 0 HJAAMN CN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)[C@@H]1CCc2ccccc21 ZINC000029487966 522518981 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/nfs/dbraw/zinc/14/25/23/569142523.db2.gz SHPXDMQMGYLDMN-QFIPXVFZSA-N 0 1 411.933 4.512 50 0 HJAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](C)O ZINC000036346758 569143803 /nfs/dbraw/zinc/14/38/03/569143803.db2.gz BRKTXFZBSUOKJP-INIZCTEOSA-N 0 1 415.484 4.844 50 0 HJAAMN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)Nc1c(C)cc(C)cc1C ZINC000006887719 569171211 /nfs/dbraw/zinc/17/12/11/569171211.db2.gz UCXDJGNRPMWJMD-UHFFFAOYSA-N 0 1 400.500 4.693 50 0 HJAAMN CCCn1c(C)cc(C(=O)CSc2nc(-c3cc(Cl)ccc3OC)n[nH]2)c1C ZINC000006888301 569171432 /nfs/dbraw/zinc/17/14/32/569171432.db2.gz CDYMLPNFLACLSK-UHFFFAOYSA-N 0 1 418.950 4.937 50 0 HJAAMN COc1ccc([C@@H](NC(=O)CSc2nc3ccc(C)cc3[nH]2)c2ccccc2)cc1 ZINC000006972221 569192307 /nfs/dbraw/zinc/19/23/07/569192307.db2.gz XOYKIOLUUBCNMX-QHCPKHFHSA-N 0 1 417.534 4.878 50 0 HJAAMN C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000007579682 569268830 /nfs/dbraw/zinc/26/88/30/569268830.db2.gz HLRKHGNBXPHJHS-MRXNPFEDSA-N 0 1 411.546 4.662 50 0 HJAAMN Fc1ccc(CNCc2cn3c(nnc3-c3ccc(Br)cc3)s2)cc1 ZINC000017155921 569275808 /nfs/dbraw/zinc/27/58/08/569275808.db2.gz RETRHUUGKKWMGE-UHFFFAOYSA-N 0 1 417.307 4.649 50 0 HJAAMN COc1ccccc1[C@@H](CNC(=O)C(c1ccccc1)c1ccccc1)N1CCCC1 ZINC000007671233 569300072 /nfs/dbraw/zinc/30/00/72/569300072.db2.gz WZGYRNRRINVQQF-XMMPIXPASA-N 0 1 414.549 4.780 50 0 HJAAMN COc1ccc(NS(=O)(=O)c2cc(-c3csc(C)n3)ccc2OC)cc1Cl ZINC000013358253 569411644 /nfs/dbraw/zinc/41/16/44/569411644.db2.gz NBQIKJFMKZALBY-UHFFFAOYSA-N 0 1 424.931 4.590 50 0 HJAAMN CN(C)[C@H](CNC(=O)c1ccccc1SCc1cscn1)c1cccc(F)c1 ZINC000040050998 571145023 /nfs/dbraw/zinc/14/50/23/571145023.db2.gz ZUBQFKRNFOHYDU-LJQANCHMSA-N 0 1 415.559 4.607 50 0 HJAAMN O=C(Nc1nnc(SCCN2CCCC2)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000009324722 571248209 /nfs/dbraw/zinc/24/82/09/571248209.db2.gz CNDALALSJSYIIQ-UHFFFAOYSA-N 0 1 418.375 4.677 50 0 HJAAMN COc1cc(OC)c(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)cc1OC ZINC000069926009 571250022 /nfs/dbraw/zinc/25/00/22/571250022.db2.gz 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ZINC000019893237 524297890 /nfs/dbraw/zinc/29/78/90/524297890.db2.gz QKKPCABQTRDCLI-UHFFFAOYSA-N 0 1 413.565 4.874 50 0 HJAAMN Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C(F)(F)F)cc3)N(C)C)no2)cc1 ZINC000032622377 525724603 /nfs/dbraw/zinc/72/46/03/525724603.db2.gz VQMRFUZQGINPLA-IBGZPJMESA-N 0 1 417.431 4.702 50 0 HJAAMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cc(C)nc3ccccc32)CC1 ZINC000012608805 535747041 /nfs/dbraw/zinc/74/70/41/535747041.db2.gz WAYJEBMMCOTZTL-UHFFFAOYSA-N 0 1 408.933 4.591 50 0 HJAAMN CN1CCN(c2ccccc2NC(=O)c2cccc3c(Br)cccc23)CC1 ZINC000016189184 536424599 /nfs/dbraw/zinc/42/45/99/536424599.db2.gz WIDYWTGCBPGGNJ-UHFFFAOYSA-N 0 1 424.342 4.606 50 0 HJAAMN COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1Cl ZINC000000628832 557024621 /nfs/dbraw/zinc/02/46/21/557024621.db2.gz MKZPNLDLEFOEHT-UHFFFAOYSA-N 0 1 400.205 4.822 50 0 HJAAMN Cc1ccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccncc3)CC2)cc1 ZINC000034682639 557384352 /nfs/dbraw/zinc/38/43/52/557384352.db2.gz ZUTWEHUMLYUCRN-UHFFFAOYSA-N 0 1 403.501 4.841 50 0 HJAAMN COc1ccc(N(C(=O)c2ccc(C)cc2)C2CCN(Cc3ccco3)CC2)cc1 ZINC000034682828 557384936 /nfs/dbraw/zinc/38/49/36/557384936.db2.gz AIPTZZGPUJOPGX-UHFFFAOYSA-N 0 1 404.510 4.908 50 0 HJAAMN Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3cccnc3)CC2)cc1 ZINC000034683271 557386157 /nfs/dbraw/zinc/38/61/57/557386157.db2.gz NLBKUNSYZBCRHZ-UHFFFAOYSA-N 0 1 403.501 4.841 50 0 HJAAMN CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408719175 557762892 /nfs/dbraw/zinc/76/28/92/557762892.db2.gz JPAMMQNJKVETRA-INIZCTEOSA-N 0 1 411.310 4.609 50 0 HJAAMN Cc1ncc(CN2CCc3n[nH]c(C4(c5ccc(Cl)cc5)CCCC4)c3C2)cn1 ZINC000019731297 558259612 /nfs/dbraw/zinc/25/96/12/558259612.db2.gz XUOUPYPFSTZTSF-UHFFFAOYSA-N 0 1 407.949 4.580 50 0 HJAAMN CCOc1ccc(CN2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cc1CO ZINC000019743369 558263966 /nfs/dbraw/zinc/26/39/66/558263966.db2.gz XUNBNGCSHSXQRB-SFHVURJKSA-N 0 1 421.459 4.691 50 0 HJAAMN OC[C@]1(Cc2ccc(F)cc2F)CCCN(Cc2c[nH]nc2C2CCCCC2)C1 ZINC000011663426 558267059 /nfs/dbraw/zinc/26/70/59/558267059.db2.gz MYPQFTIVGKABJV-QHCPKHFHSA-N 0 1 403.517 4.553 50 0 HJAAMN Cc1cc(=O)n2c(n1)NC(N1CCC(Cc3ccccc3)CC1)=N[C@H]2c1ccccc1 ZINC000020028265 558322804 /nfs/dbraw/zinc/32/28/04/558322804.db2.gz DTAWCWFTKKTTCP-HSZRJFAPSA-N 0 1 413.525 4.541 50 0 HJAAMN Cc1n[nH]c(C)c1CN(C)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000012112338 558326643 /nfs/dbraw/zinc/32/66/43/558326643.db2.gz KDAJJGLUDOIJPW-UHFFFAOYSA-N 0 1 401.514 4.851 50 0 HJAAMN Cc1ccc(C(C)C)c(OC[C@@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)c1 ZINC000020109633 558334639 /nfs/dbraw/zinc/33/46/39/558334639.db2.gz PMXNLCRKKUUYNG-NRFANRHFSA-N 0 1 416.993 4.642 50 0 HJAAMN CC(C)c1nc2cc(C(=O)N3CCC(c4nc5ccc(F)cc5[nH]4)CC3)ccc2o1 ZINC000012298263 558368508 /nfs/dbraw/zinc/36/85/08/558368508.db2.gz NQHOWSATLVNNPM-UHFFFAOYSA-N 0 1 406.461 4.986 50 0 HJAAMN OC[C@@]1(Cc2ccc(F)cc2F)CCCN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000012442652 558412683 /nfs/dbraw/zinc/41/26/83/558412683.db2.gz TXUPETBURFQWHJ-HSZRJFAPSA-N 0 1 414.521 4.906 50 0 HJAAMN Fc1ccc2nc([C@H]3CCCCN3Cc3nc(CCc4ccccc4)no3)[nH]c2c1 ZINC000012445376 558413386 /nfs/dbraw/zinc/41/33/86/558413386.db2.gz OKKLUZRSIDWAEI-HXUWFJFHSA-N 0 1 405.477 4.597 50 0 HJAAMN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(Cc2cccc(C)n2)CC1 ZINC000012449070 558415918 /nfs/dbraw/zinc/41/59/18/558415918.db2.gz PBADCEWIKYZPIX-UHFFFAOYSA-N 0 1 420.475 4.797 50 0 HJAAMN Cc1cc(C)c(-c2[nH]nc3c2[C@H](c2ccc(F)cc2)N(Cc2ccco2)C3=O)c(O)c1 ZINC000020868160 558418119 /nfs/dbraw/zinc/41/81/19/558418119.db2.gz YJWWECWHAXFVGY-QHCPKHFHSA-N 0 1 417.440 4.877 50 0 HJAAMN O=C(CCC1CCN(Cc2ccc(Cl)s2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000012705883 558449809 /nfs/dbraw/zinc/44/98/09/558449809.db2.gz RNRXHWGEPYYDIK-UHFFFAOYSA-N 0 1 420.962 4.804 50 0 HJAAMN CCn1nc(C)c(CNCc2cn(-c3ccccc3)nc2-c2cccc(OC)c2)c1C ZINC000012744706 558457903 /nfs/dbraw/zinc/45/79/03/558457903.db2.gz QQSSOFWHWZNNSC-UHFFFAOYSA-N 0 1 415.541 4.671 50 0 HJAAMN COc1cc(-c2nc(CN3CCC(OCc4ccccc4)CC3)c(C)o2)ccc1F ZINC000012752688 558459336 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Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000025328907 558638176 /nfs/dbraw/zinc/63/81/76/558638176.db2.gz LKHSRUVBZROHKD-HNNXBMFYSA-N 0 1 407.333 4.598 50 0 HJAAMN CCCCCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)cc1 ZINC000027746804 558681184 /nfs/dbraw/zinc/68/11/84/558681184.db2.gz AWIVTJZFLOICCY-XMMPIXPASA-N 0 1 410.558 4.831 50 0 biogenic HJAAMN CSc1ncc(CN[C@H]2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)cn1 ZINC000014963008 558684831 /nfs/dbraw/zinc/68/48/31/558684831.db2.gz WQRSJTJXWRVMIT-FQEVSTJZSA-N 0 1 407.587 4.849 50 0 HJAAMN O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CCN(Cc2cccnc2)CC1 ZINC000015061635 558704697 /nfs/dbraw/zinc/70/46/97/558704697.db2.gz RURWDKAWNOCMKE-UHFFFAOYSA-N 0 1 405.473 4.864 50 0 HJAAMN COc1cc(CNCc2ccccc2OC(F)(F)F)ccc1OCc1ccncc1 ZINC000030629049 558734703 /nfs/dbraw/zinc/73/47/03/558734703.db2.gz WCAZJJHMJRFPKH-UHFFFAOYSA-N 0 1 418.415 4.858 50 0 HJAAMN CCCNC(=O)COc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2 ZINC000034671501 558782791 /nfs/dbraw/zinc/78/27/91/558782791.db2.gz XXHFPQOSQRWDOY-MHZLTWQESA-N 0 1 414.549 4.739 50 0 HJAAMN O[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000016780684 558806969 /nfs/dbraw/zinc/80/69/69/558806969.db2.gz SDZFNEGBWBYELN-XMMPIXPASA-N 0 1 422.956 4.569 50 0 HJAAMN Cc1ccc(N2NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl ZINC000000647725 558828268 /nfs/dbraw/zinc/82/82/68/558828268.db2.gz FIMIUNBFNALXKF-FYJGNVAPSA-N 0 1 418.880 4.689 50 0 HJAAMN Cc1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc(C)c(Cl)c4)o3)C2=O)cc1C ZINC000000859991 558835791 /nfs/dbraw/zinc/83/57/91/558835791.db2.gz GCEFTTIUEIKKPW-XDHOZWIPSA-N 0 1 406.869 4.987 50 0 HJAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)c1 ZINC000033025727 558846554 /nfs/dbraw/zinc/84/65/54/558846554.db2.gz XYJBJFSXQFJPTH-UHFFFAOYSA-N 0 1 408.479 4.653 50 0 HJAAMN CCOc1ccc2nc(NC(=O)CSc3nc(CC(C)C)c(C)[nH]3)sc2c1 ZINC000004625790 558889688 /nfs/dbraw/zinc/88/96/88/558889688.db2.gz LXNLCYRCJZDBEW-UHFFFAOYSA-N 0 1 404.561 4.656 50 0 HJAAMN Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)NCCC1=CCCCC1 ZINC000033173770 558901855 /nfs/dbraw/zinc/90/18/55/558901855.db2.gz OMIIHPOVPGWYOV-UHFFFAOYSA-N 0 1 419.494 4.634 50 0 HJAAMN O=C1C=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)C2(CCCCC2)O1 ZINC000019594273 558945083 /nfs/dbraw/zinc/94/50/83/558945083.db2.gz NVNMYIHJBXFZPI-UHFFFAOYSA-N 0 1 402.538 4.537 50 0 HJAAMN C[C@@H](Sc1nc(C=Cc2ccc(F)cc2)n[nH]1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000098003829 559016654 /nfs/dbraw/zinc/01/66/54/559016654.db2.gz QWNHZPDRDUQCDV-YRBHFNIASA-N 0 1 408.502 4.722 50 0 HJAAMN CN1CCN(c2ccc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc2)CC1 ZINC000023134449 559018085 /nfs/dbraw/zinc/01/80/85/559018085.db2.gz XSVJPGFYYXUKMC-DEOSSOPVSA-N 0 1 417.578 4.911 50 0 HJAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H]1Nc2ccccc2C(=O)N1C1CCCCC1 ZINC000102454284 559150464 /nfs/dbraw/zinc/15/04/64/559150464.db2.gz QAODEMDRTKMEBL-JOCHJYFZSA-N 0 1 402.498 4.786 50 0 HJAAMN CCc1ccc(-c2nc(SCC(=O)NCCCOC)c(-c3ccc(C)cc3)[nH]2)cc1 ZINC000004927859 559208219 /nfs/dbraw/zinc/20/82/19/559208219.db2.gz XURDKDRWQNJRLB-UHFFFAOYSA-N 0 1 423.582 4.859 50 0 HJAAMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCc2ccccc2)CC1 ZINC000005043709 559236325 /nfs/dbraw/zinc/23/63/25/559236325.db2.gz RRQVAEJVFZMSNY-UHFFFAOYSA-N 0 1 423.944 4.832 50 0 HJAAMN CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000248256418 559269637 /nfs/dbraw/zinc/26/96/37/559269637.db2.gz OONFLJARMUMZKP-XUZZJYLKSA-N 0 1 408.542 4.595 50 0 HJAAMN CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Nc2ccc(C)cc2)cc1 ZINC000002616956 560585794 /nfs/dbraw/zinc/58/57/94/560585794.db2.gz LMEOLBOQRGNNSC-UHFFFAOYSA-N 0 1 410.495 4.716 50 0 HJAAMN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102726878 560821881 /nfs/dbraw/zinc/82/18/81/560821881.db2.gz KHHCYVQXMCAFRN-YPAWHYETSA-N 0 1 418.880 4.700 50 0 HJAAMN Cc1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000102894406 560833261 /nfs/dbraw/zinc/83/32/61/560833261.db2.gz YVOANIYRTYKMGW-CRAIPNDOSA-N 0 1 408.527 4.886 50 0 HJAAMN CCOc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3Br)[nH]n2)cc1 ZINC000051315480 560855835 /nfs/dbraw/zinc/85/58/35/560855835.db2.gz CNKPCYXRMFRVCV-UHFFFAOYSA-N 0 1 404.239 4.629 50 0 HJAAMN CC(C)c1ccc(CN(C)Cc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 ZINC000046032520 568424585 /nfs/dbraw/zinc/42/45/85/568424585.db2.gz FNJGFQIXNRWPHS-UHFFFAOYSA-N 0 1 410.587 4.954 50 0 HJAAMN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000095465106 568622972 /nfs/dbraw/zinc/62/29/72/568622972.db2.gz PXQFFAPLSDZAFK-CVEARBPZSA-N 0 1 411.889 4.535 50 0 HJAAMN CCCCOc1ccc([C@@](O)(CCC)[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000020756611 568641394 /nfs/dbraw/zinc/64/13/94/568641394.db2.gz DIBAFDMSKKHAMC-UIOOFZCWSA-N 0 1 411.586 4.969 50 0 HJAAMN COc1ccc(OC)c(NC(=O)CCc2ccc3nc(-c4ccccc4)[nH]c3c2)c1 ZINC000096363670 568739442 /nfs/dbraw/zinc/73/94/42/568739442.db2.gz OXQNYAHKTQKZNN-UHFFFAOYSA-N 0 1 401.466 4.818 50 0 HJAAMN CCn1c(-c2cc(NC(=O)CCc3ccc(OC)cc3)[nH]n2)cc2cc(OC)ccc21 ZINC000096398581 568747288 /nfs/dbraw/zinc/74/72/88/568747288.db2.gz XECAHYGWNZECEY-UHFFFAOYSA-N 0 1 418.497 4.640 50 0 HJAAMN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)c2ccc(OC)c(OC)c2)[nH]n1 ZINC000096398620 568747298 /nfs/dbraw/zinc/74/72/98/568747298.db2.gz IWVKPCWWYRTEGE-UHFFFAOYSA-N 0 1 404.470 4.629 50 0 HJAAMN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2Cl)n2ncnc2N1 ZINC000000949723 568755428 /nfs/dbraw/zinc/75/54/28/568755428.db2.gz USFJHLJNWJYQJZ-GOSISDBHSA-N 0 1 415.280 4.617 50 0 HJAAMN C[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(F)c(F)c1 ZINC000057312352 568826650 /nfs/dbraw/zinc/82/66/50/568826650.db2.gz HMKONBFQMNIWTQ-HNNXBMFYSA-N 0 1 409.436 4.506 50 0 HJAAMN C[C@@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(F)c(F)c1 ZINC000057383176 568830791 /nfs/dbraw/zinc/83/07/91/568830791.db2.gz MSKOMQQVQAQTSZ-CQSZACIVSA-N 0 1 402.441 4.686 50 0 HJAAMN C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000006035398 568836033 /nfs/dbraw/zinc/83/60/33/568836033.db2.gz ZCRAGQPNGXTNJM-NSHDSACASA-N 0 1 413.553 4.776 50 0 HJAAMN CCCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3ccc(OC)cc3)ccc21 ZINC000026121518 569017431 /nfs/dbraw/zinc/01/74/31/569017431.db2.gz PRAFFWGAQWYELI-UHFFFAOYSA-N 0 1 420.557 4.939 50 0 HJAAMN CCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3ccc(OC)cc3)ccc21 ZINC000026121260 569017468 /nfs/dbraw/zinc/01/74/68/569017468.db2.gz BWGGOKMPBMQJCF-UHFFFAOYSA-N 0 1 406.530 4.549 50 0 HJAAMN CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)N[C@H](C)CCc3ccccc3)n2)cc1 ZINC000006214804 569033257 /nfs/dbraw/zinc/03/32/57/569033257.db2.gz YMSQJZPUWYNOPB-SJORKVTESA-N 0 1 408.571 4.652 50 0 HJAAMN Cc1ccc(-c2nc(CC(=O)NC[C@H](c3cccc(F)c3)N(C)C)cs2)c(C)c1 ZINC000013009211 569049914 /nfs/dbraw/zinc/04/99/14/569049914.db2.gz RLZSRTMIWBVGPV-OAQYLSRUSA-N 0 1 411.546 4.528 50 0 HJAAMN Cc1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000016689796 569070544 /nfs/dbraw/zinc/07/05/44/569070544.db2.gz YVOANIYRTYKMGW-QAPCUYQASA-N 0 1 408.527 4.886 50 0 HJAAMN CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1c(C)cccc1C ZINC000064670138 569079024 /nfs/dbraw/zinc/07/90/24/569079024.db2.gz CPXAXRMOAJHCBY-UHFFFAOYSA-N 0 1 402.541 4.935 50 0 HJAAMN CCC[C@@H](O)CN(Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146335 569098606 /nfs/dbraw/zinc/09/86/06/569098606.db2.gz PJQRPLUIFPUTDT-IRLDBZIGSA-N 0 1 416.949 4.505 50 0 HJAAMN COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 ZINC000064837414 569104377 /nfs/dbraw/zinc/10/43/77/569104377.db2.gz LUCPPSNULLSZPW-UHFFFAOYSA-N 0 1 410.854 4.560 50 0 HJAAMN CCc1ccc(-c2nc(CN3CCC(C(=O)NCc4ccccc4)CC3)c(C)o2)cc1 ZINC000006772210 569117434 /nfs/dbraw/zinc/11/74/34/569117434.db2.gz SKFHPURFKAZGPD-UHFFFAOYSA-N 0 1 417.553 4.741 50 0 HJAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)CC ZINC000036303915 569128760 /nfs/dbraw/zinc/12/87/60/569128760.db2.gz NTJHESNTZPHXBW-OAQYLSRUSA-N 0 1 423.557 4.965 50 0 HJAAMN Cc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN2CCC(C)CC2)c(C)c1 ZINC000036345737 569143370 /nfs/dbraw/zinc/14/33/70/569143370.db2.gz BLVMPTAKAIWBHY-DEOSSOPVSA-N 0 1 407.533 4.852 50 0 HJAAMN CC(C)N(Cc1ccccc1)C(=O)CN1CCC(c2nc3ccccc3s2)CC1 ZINC000006978511 569192598 /nfs/dbraw/zinc/19/25/98/569192598.db2.gz GCOSOQIIKHCXMS-UHFFFAOYSA-N 0 1 407.583 4.913 50 0 HJAAMN O=C(CN1CCC[C@H]1c1cccs1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000007362922 569235508 /nfs/dbraw/zinc/23/55/08/569235508.db2.gz FGUAVANDUYNGHL-SFHVURJKSA-N 0 1 411.596 4.901 50 0 HJAAMN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)O[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000170625413 569250108 /nfs/dbraw/zinc/25/01/08/569250108.db2.gz CSPYWYYLEDDBQA-RBZFPXEDSA-N 0 1 409.873 4.785 50 0 HJAAMN O=C(Nc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000089845675 569267054 /nfs/dbraw/zinc/26/70/54/569267054.db2.gz OVTNEFVNDDFYSB-UHFFFAOYSA-N 0 1 404.850 4.532 50 0 HJAAMN Cc1cc(O)c([C@@H](c2ccc(Cl)cc2)N2CCCCC2)c(=O)n1Cc1ccco1 ZINC000016993873 569270918 /nfs/dbraw/zinc/27/09/18/569270918.db2.gz LFKLDTOBFVWQBH-JOCHJYFZSA-N 0 1 412.917 4.732 50 0 HJAAMN COc1ccccc1[C@H](CNC(=O)C(c1ccccc1)c1ccccc1)N1CCCC1 ZINC000007671234 569300068 /nfs/dbraw/zinc/30/00/68/569300068.db2.gz WZGYRNRRINVQQF-DEOSSOPVSA-N 0 1 414.549 4.780 50 0 HJAAMN COc1cccc(N(C(=O)c2ccco2)C2CCN(Cc3ccccc3F)CC2)c1 ZINC000037570651 569307399 /nfs/dbraw/zinc/30/73/99/569307399.db2.gz GYDJJHMJYIRBBY-UHFFFAOYSA-N 0 1 408.473 4.739 50 0 HJAAMN CCO[C@H](C)c1nc(CN2[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@@H]3CCCC[C@@H]32)cs1 ZINC000252671075 569319386 /nfs/dbraw/zinc/31/93/86/569319386.db2.gz MPPZIXAFTCORID-QGJLOBTQSA-N 0 1 421.651 4.925 50 0 HJAAMN COc1ccc([C@H](CNC(=O)c2nc(-c3ccccc3)oc2C)N2CCCCC2)cc1 ZINC000027667538 569389148 /nfs/dbraw/zinc/38/91/48/569389148.db2.gz FSTQAUVJBHWNPE-QFIPXVFZSA-N 0 1 419.525 4.616 50 0 HJAAMN COc1ccc(-c2[nH]c(-c3ccccc3)nc2SCC(=O)Nc2nccs2)cc1 ZINC000008683347 571101339 /nfs/dbraw/zinc/10/13/39/571101339.db2.gz CEZDRNXMPNQOFD-UHFFFAOYSA-N 0 1 422.535 4.940 50 0 HJAAMN CN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000008845494 571125390 /nfs/dbraw/zinc/12/53/90/571125390.db2.gz BQXIFBFXVCRHOF-XMMPIXPASA-N 0 1 411.461 4.536 50 0 HJAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000040103796 571164547 /nfs/dbraw/zinc/16/45/47/571164547.db2.gz HRCZKTUNRHLPAU-QGZVFWFLSA-N 0 1 400.954 4.625 50 0 HJAAMN CCN1CCN(c2ccccc2NC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000040103957 571164720 /nfs/dbraw/zinc/16/47/20/571164720.db2.gz UFTODRSXDMBDJJ-KRWDZBQOSA-N 0 1 400.954 4.707 50 0 HJAAMN CCOCCCC(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000040132461 571184870 /nfs/dbraw/zinc/18/48/70/571184870.db2.gz UUKRNMXUEDDGMM-IBGZPJMESA-N 0 1 405.420 4.604 50 0 HJAAMN O=C1c2n[nH]c(-c3ccccc3)c2[C@H](c2cccnc2)N1CCc1c[nH]c2ccccc12 ZINC000008990424 571206476 /nfs/dbraw/zinc/20/64/76/571206476.db2.gz SQRVDKWTCPSVRB-VWLOTQADSA-N 0 1 419.488 4.741 50 0 HJAAMN Cc1nnsc1C(=O)Nc1c2ccccc2oc1C(=O)Nc1cccc(Cl)c1 ZINC000009250902 571242125 /nfs/dbraw/zinc/24/21/25/571242125.db2.gz VCDTWARGENDADS-UHFFFAOYSA-N 0 1 412.858 4.751 50 0 HJAAMN O=c1c2c[nH]nc2nc(SCc2c(F)cccc2Cl)n1-c1ccc(Cl)cc1 ZINC000009490735 571262785 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CCc1ccc(NC(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc1 ZINC000020574575 523986706 /nfs/dbraw/zinc/98/67/06/523986706.db2.gz LTYLKOLCIYGWJK-UHFFFAOYSA-N 0 1 403.530 4.501 50 0 HJAAMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000032933264 525399477 /nfs/dbraw/zinc/39/94/77/525399477.db2.gz IGJYVTXHEGCXFI-GFCCVEGCSA-N 0 1 418.280 4.876 50 0 HJAAMN COc1ccc(-c2csc3[nH]c(=S)n(Cc4ccccc4)c(=O)c23)cc1OC ZINC000000723986 557072108 /nfs/dbraw/zinc/07/21/08/557072108.db2.gz PCVITOOXIJTAIS-UHFFFAOYSA-N 0 1 410.520 4.853 50 0 HJAAMN Cc1cccc(N(C(=O)c2ccccc2F)C2CCN(Cc3ccncc3)CC2)c1 ZINC000034680500 557382159 /nfs/dbraw/zinc/38/21/59/557382159.db2.gz CZVWJZLRBYQOGC-UHFFFAOYSA-N 0 1 403.501 4.841 50 0 HJAAMN COc1ccc(N(C(=O)c2ccc(C)cc2)C2CCN(Cc3ccncc3)CC2)cc1 ZINC000034682822 557384831 /nfs/dbraw/zinc/38/48/31/557384831.db2.gz DLFUFKSKADXPOC-UHFFFAOYSA-N 0 1 415.537 4.710 50 0 HJAAMN COc1ccccc1C(=O)N(c1cccc(C)c1)C1CCN(Cc2ccco2)CC1 ZINC000034683049 557385488 /nfs/dbraw/zinc/38/54/88/557385488.db2.gz ZEMLTVZQRURBSS-UHFFFAOYSA-N 0 1 404.510 4.908 50 0 HJAAMN O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000010547976 557447239 /nfs/dbraw/zinc/44/72/39/557447239.db2.gz IQCWJXMHDJXEOH-UHFFFAOYSA-N 0 1 406.829 4.828 50 0 HJAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2 ZINC000034795556 557471242 /nfs/dbraw/zinc/47/12/42/557471242.db2.gz YQHUGPMOQGZJMM-UHFFFAOYSA-N 0 1 415.371 4.954 50 0 HJAAMN Fc1ccccc1COc1ccc(Br)cc1CNCc1cccnc1 ZINC000004621974 557573560 /nfs/dbraw/zinc/57/35/60/557573560.db2.gz RZMBLYFTQCGNPA-UHFFFAOYSA-N 0 1 401.279 4.852 50 0 HJAAMN COc1cccc(CNCc2ccc3c(c2)OCO3)c1OCc1ccc(Cl)cc1 ZINC000005019746 557626567 /nfs/dbraw/zinc/62/65/67/557626567.db2.gz RBLOQIGROKHZSR-UHFFFAOYSA-N 0 1 411.885 4.946 50 0 HJAAMN CCc1ccccc1NC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000005557188 557661825 /nfs/dbraw/zinc/66/18/25/557661825.db2.gz XZEFWPBIGNGLLI-UHFFFAOYSA-N 0 1 415.445 4.746 50 0 biogenic HJAAMN Cc1ccc([C@H]2c3c(n[nH]c3-c3ccc(C)cc3O)C(=O)N2Cc2cccnc2)cc1 ZINC000008845676 557811936 /nfs/dbraw/zinc/81/19/36/557811936.db2.gz QKYYKBRRLKKOHS-DEOSSOPVSA-N 0 1 410.477 4.540 50 0 HJAAMN COc1cccc(CN[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)c1OC ZINC000011814745 558278983 /nfs/dbraw/zinc/27/89/83/558278983.db2.gz PSFMZJXOIIRQBV-HXUWFJFHSA-N 0 1 409.505 4.832 50 0 HJAAMN COc1ccc(-c2nn(-c3ccccc3F)cc2CNCc2ccccc2OC)cc1 ZINC000011842721 558287988 /nfs/dbraw/zinc/28/79/88/558287988.db2.gz FPTMOCSHUNAOJN-UHFFFAOYSA-N 0 1 417.484 4.985 50 0 HJAAMN COc1ccccc1[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)N1CCC(C)CC1 ZINC000011905337 558295736 /nfs/dbraw/zinc/29/57/36/558295736.db2.gz ARHGKSMRRXZRQJ-JOCHJYFZSA-N 0 1 419.525 4.553 50 0 HJAAMN COC(=O)c1ccc(-c2nc(CN3CCC[C@@H]3c3cccc(OC)c3)c(C)o2)cc1 ZINC000011932945 558297654 /nfs/dbraw/zinc/29/76/54/558297654.db2.gz UHKSZPKXMRMLQZ-JOCHJYFZSA-N 0 1 406.482 4.782 50 0 HJAAMN COc1cc(CN[C@H](C)c2cnn(-c3cccc(F)c3)c2C)cc(Cl)c1OC ZINC000012028366 558310650 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O=C(Nc1ccc2nc(-c3cccs3)[nH]c2c1)c1cccc(N2CCOC2=O)c1 ZINC000072059342 558444933 /nfs/dbraw/zinc/44/49/33/558444933.db2.gz FMUAPQOUJSYNFC-UHFFFAOYSA-N 0 1 404.451 4.500 50 0 HJAAMN COc1cccc(-c2nc(CN3CCC(OCc4ccccc4)CC3)c(C)o2)c1OC ZINC000012704750 558449580 /nfs/dbraw/zinc/44/95/80/558449580.db2.gz HIBYENCXFIFVIG-UHFFFAOYSA-N 0 1 422.525 4.848 50 0 HJAAMN COc1ccc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)cc1Cn1cccn1 ZINC000012759214 558460721 /nfs/dbraw/zinc/46/07/21/558460721.db2.gz JBYLARROVLVBPI-HXUWFJFHSA-N 0 1 423.944 4.688 50 0 HJAAMN CCN(CC)C(=O)[C@H]1CCCN(Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)C1 ZINC000012836350 558478361 /nfs/dbraw/zinc/47/83/61/558478361.db2.gz PQLUVDWIUZYJNS-KRWDZBQOSA-N 0 1 423.479 4.749 50 0 HJAAMN CC(C)CN(CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1cccc(F)c1 ZINC000004457278 558590055 /nfs/dbraw/zinc/59/00/55/558590055.db2.gz NNICBAXLGZEEDC-QFIPXVFZSA-N 0 1 404.526 4.697 50 0 HJAAMN COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc(C)cc2C)cc1 ZINC000013779021 558592902 /nfs/dbraw/zinc/59/29/02/558592902.db2.gz MKTCJRDZURCFKV-HDYLNDSGSA-N 0 1 422.569 4.619 50 0 HJAAMN O=S(=O)(Nc1ccc(Cl)c2cccnc12)c1cccc(OC(F)(F)F)c1 ZINC000024426203 558597192 /nfs/dbraw/zinc/59/71/92/558597192.db2.gz WNGIAGAWNPOYCQ-UHFFFAOYSA-N 0 1 402.781 4.588 50 0 HJAAMN CN(C)[C@@H](CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccsc1 ZINC000025330101 558638492 /nfs/dbraw/zinc/63/84/92/558638492.db2.gz NTMUEENSDQYTIM-AWEZNQCLSA-N 0 1 410.383 4.818 50 0 HJAAMN CN(C)[C@@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccsc1 ZINC000025330334 558638741 /nfs/dbraw/zinc/63/87/41/558638741.db2.gz STALYDXOOINYOV-QFIPXVFZSA-N 0 1 416.550 4.634 50 0 HJAAMN Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000027590784 558676846 /nfs/dbraw/zinc/67/68/46/558676846.db2.gz LQLGMZDDBSMLCL-KRWDZBQOSA-N 0 1 419.294 4.676 50 0 HJAAMN Cc1ccccc1OCC(=O)NC[C@H](c1ccccc1Cl)N1CCCCCC1 ZINC000027663908 558679220 /nfs/dbraw/zinc/67/92/20/558679220.db2.gz NLCLWMIOHXSCFI-OAQYLSRUSA-N 0 1 400.950 4.761 50 0 HJAAMN CCc1ccc2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N(C)C)cc(=O)c2c1 ZINC000028289823 558696426 /nfs/dbraw/zinc/69/64/26/558696426.db2.gz RCCKUWAXGYQHNX-OAQYLSRUSA-N 0 1 420.553 4.686 50 0 HJAAMN CC(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3ccccc3o2)N2CCCCC2)cc1 ZINC000028293003 558698240 /nfs/dbraw/zinc/69/82/40/558698240.db2.gz HBTDQNZPLLBTCJ-QFIPXVFZSA-N 0 1 418.537 4.873 50 0 HJAAMN CCOc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccc(Cl)cc2C)n1 ZINC000015019477 558703219 /nfs/dbraw/zinc/70/32/19/558703219.db2.gz XZBFRIHYOIBMBA-UHFFFAOYSA-N 0 1 402.907 4.563 50 0 HJAAMN CCOC(=O)C[C@H]1CCCCN1Cc1nc(-c2cccc(C(F)(F)F)c2)oc1C ZINC000015065025 558707746 /nfs/dbraw/zinc/70/77/46/558707746.db2.gz BWDOZHNZHDBRPE-QGZVFWFLSA-N 0 1 410.436 4.977 50 0 HJAAMN Cc1ccc(-n2c3c(c(S[C@H](N)c4cccc5ccccc54)nc2=O)CCC3)cc1 ZINC000015840435 558756693 /nfs/dbraw/zinc/75/66/93/558756693.db2.gz VRWDWLGSMZOEHY-QHCPKHFHSA-N 0 1 413.546 4.932 50 0 HJAAMN Cc1ccc(N2C(=O)NC(=O)[C@@](CCc3ccccn3)(Cc3cccs3)C2=O)cc1 ZINC000001127422 558775257 /nfs/dbraw/zinc/77/52/57/558775257.db2.gz XSPJDXNPANEXEV-HSZRJFAPSA-N 0 1 419.506 4.737 50 0 HJAAMN CN(C)[C@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1cccs1 ZINC000022989316 558951211 /nfs/dbraw/zinc/95/12/11/558951211.db2.gz RMDGCGFRLHRQOF-GOSISDBHSA-N 0 1 422.579 4.695 50 0 HJAAMN Cc1ccc2nc(N3CCC(C(=O)N[C@@H](C)C45CC6CC(CC(C6)C4)C5)CC3)[nH]c2c1 ZINC000033269070 558993742 /nfs/dbraw/zinc/99/37/42/558993742.db2.gz PFJJBPIHQMCGKZ-BALBBAFXSA-N 0 1 420.601 4.809 50 0 HJAAMN Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COc2ccccc2C(C)(C)C)CC1 ZINC000023211961 559059085 /nfs/dbraw/zinc/05/90/85/559059085.db2.gz GJCDBYCIOZKNCB-HXUWFJFHSA-N 0 1 416.993 4.508 50 0 HJAAMN COCCCNC(=O)CSc1[nH]c(-c2cccc(Cl)c2)nc1-c1ccccc1 ZINC000004927846 559208268 /nfs/dbraw/zinc/20/82/68/559208268.db2.gz YNUBLMHXDFTEQR-UHFFFAOYSA-N 0 1 415.946 4.642 50 0 HJAAMN Cc1ccc(N2NC(=O)/C(=C\c3ccc(N(C)CCC(C)C)cc3)C2=O)cc1Cl ZINC000002125610 559274879 /nfs/dbraw/zinc/27/48/79/559274879.db2.gz NCFZVJJPLYUXPN-DEDYPNTBSA-N 0 1 411.933 4.592 50 0 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558294047 /nfs/dbraw/zinc/29/40/47/558294047.db2.gz NXAOVKGAUNRCPI-GOSISDBHSA-N 0 1 421.472 4.512 50 0 HJAAMN CCCn1ncc(CN2CCC(Cc3ccc(Cl)cc3)(C(=O)OCC)CC2)c1C ZINC000012050966 558314139 /nfs/dbraw/zinc/31/41/39/558314139.db2.gz CIZWVRJCEUETJG-UHFFFAOYSA-N 0 1 417.981 4.643 50 0 HJAAMN Cc1n[nH]c(C)c1CNCc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C ZINC000012112114 558326604 /nfs/dbraw/zinc/32/66/04/558326604.db2.gz SSNHATOHQRAXHK-UHFFFAOYSA-N 0 1 407.468 4.756 50 0 HJAAMN Cc1nn(-c2ccc(F)cc2)c(C)c1CN[C@H](C)c1cnn(-c2ccccc2)c1C ZINC000012201262 558351504 /nfs/dbraw/zinc/35/15/04/558351504.db2.gz RIWSCOQHYKVEKA-MRXNPFEDSA-N 0 1 403.505 4.973 50 0 HJAAMN CSc1cccc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c1 ZINC000012299044 558369244 /nfs/dbraw/zinc/36/92/44/558369244.db2.gz UAFJFTRFRBWNOU-UHFFFAOYSA-N 0 1 410.583 4.688 50 0 HJAAMN O=C(NCc1cc(C2CC2)[nH]n1)c1ccc2oc(CCCc3ccccc3)nc2c1 ZINC000012303114 558372576 /nfs/dbraw/zinc/37/25/76/558372576.db2.gz VUIYPVNJILLLRO-UHFFFAOYSA-N 0 1 400.482 4.534 50 0 HJAAMN COc1ccc(-n2ncc([C@@H](C)NCc3cnn(-c4ccc(Cl)cc4)c3)c2C)cc1 ZINC000012314186 558377896 /nfs/dbraw/zinc/37/78/96/558377896.db2.gz KGJDHRDBDHHBOG-MRXNPFEDSA-N 0 1 421.932 4.879 50 0 HJAAMN CCOC(=O)C1(CCOC)CCN(Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000012372889 558390280 /nfs/dbraw/zinc/39/02/80/558390280.db2.gz YNVNGJDIWUPTIS-UHFFFAOYSA-N 0 1 405.922 4.782 50 0 HJAAMN O=C(Nc1cccc(-c2cscn2)c1)C1CCN(Cc2cc(F)cc(F)c2)CC1 ZINC000012437836 558409560 /nfs/dbraw/zinc/40/95/60/558409560.db2.gz PXKAMWQKJHKYDS-UHFFFAOYSA-N 0 1 413.493 4.939 50 0 HJAAMN COc1cc(CN[C@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)cc(OC)c1OC ZINC000012591248 558435986 /nfs/dbraw/zinc/43/59/86/558435986.db2.gz HVIPWRQZXVNJTQ-NRFANRHFSA-N 0 1 421.541 4.682 50 0 HJAAMN Cc1ccc2nc(SCc3nc(-c4ccc(Br)cc4)no3)[nH]c2c1 ZINC000021364711 558437412 /nfs/dbraw/zinc/43/74/12/558437412.db2.gz LMRSJUXKUDUYLZ-UHFFFAOYSA-N 0 1 401.289 4.976 50 0 HJAAMN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC[C@@H]1CCN1CCCC1=O ZINC000012701920 558448102 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Cc1cccc(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCCCC2)c1 ZINC000027663890 558679228 /nfs/dbraw/zinc/67/92/28/558679228.db2.gz SVCUUCYRFOYSCF-QFIPXVFZSA-N 0 1 400.950 4.761 50 0 HJAAMN O=C(CC[C@@H]1CCCN(Cc2cc3c(cc2Cl)OCO3)C1)Nc1ccccc1F ZINC000014957397 558682953 /nfs/dbraw/zinc/68/29/53/558682953.db2.gz PWEFSZAOPHHTHV-HNNXBMFYSA-N 0 1 418.896 4.839 50 0 HJAAMN COCc1ccc(CN2CCC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)o1 ZINC000014967259 558686363 /nfs/dbraw/zinc/68/63/63/558686363.db2.gz YOLGJWCZECOAGD-FQEVSTJZSA-N 0 1 418.537 4.735 50 0 HJAAMN COc1ccc([C@H](CNC(=O)c2oc3cc(C)c(C)cc3c2C)N2CCCC2)cc1 ZINC000028287938 558694890 /nfs/dbraw/zinc/69/48/90/558694890.db2.gz XDJPBCZBJMRTCY-QFIPXVFZSA-N 0 1 406.526 4.934 50 0 HJAAMN Cc1cc(OCC(=O)NC[C@H](c2cccs2)N2CCCCC2)cc(C)c1Cl ZINC000028288154 558695120 /nfs/dbraw/zinc/69/51/20/558695120.db2.gz ABRXKNWNHPQXEQ-GOSISDBHSA-N 0 1 406.979 4.741 50 0 HJAAMN Cc1cc2oc(C(=O)NC[C@@H](c3ccccc3)N3CCCCC3)cc(=O)c2cc1Cl ZINC000028292593 558698097 /nfs/dbraw/zinc/69/80/97/558698097.db2.gz OCBPNGIZRZNNJU-FQEVSTJZSA-N 0 1 424.928 4.712 50 0 HJAAMN CCc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)N2CCCC2)cc1 ZINC000028293027 558698292 /nfs/dbraw/zinc/69/82/92/558698292.db2.gz DAZZGWICEXMXOP-QFIPXVFZSA-N 0 1 418.537 4.539 50 0 HJAAMN O=C(NCCC1=CCCCC1)[C@@H]1CC12CCN(Cc1ccc(O)c(Cl)c1)CC2 ZINC000015067444 558710104 /nfs/dbraw/zinc/71/01/04/558710104.db2.gz TUVRKXWWRRMVLN-IBGZPJMESA-N 0 1 402.966 4.654 50 0 HJAAMN Cc1c([C@@H](C)NCc2ccc(OCCO)cc2)cnn1-c1cccc2ccccc21 ZINC000015075976 558716338 /nfs/dbraw/zinc/71/63/38/558716338.db2.gz IJORBEVZXQRXLW-GOSISDBHSA-N 0 1 401.510 4.556 50 0 HJAAMN Cc1ccc([C@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)N2CCCCC2)o1 ZINC000015860192 558757829 /nfs/dbraw/zinc/75/78/29/558757829.db2.gz CMDQLYWBSTWUPT-IBGZPJMESA-N 0 1 404.938 4.580 50 0 HJAAMN CCOc1cc(CN2CCCCC[C@H]2c2ccccc2Cl)ccc1OCC(N)=O ZINC000033087235 558760622 /nfs/dbraw/zinc/76/06/22/558760622.db2.gz WAISYARQUKKWBM-FQEVSTJZSA-N 0 1 416.949 4.720 50 0 HJAAMN O=C1c2n[nH]c(-c3ccccc3)c2[C@H](c2ccccn2)N1CCc1c[nH]c2ccccc12 ZINC000013548825 558843004 /nfs/dbraw/zinc/84/30/04/558843004.db2.gz ZOHJLVMKIBIMIN-VWLOTQADSA-N 0 1 419.488 4.741 50 0 HJAAMN O=C1c2n[nH]c(-c3ccccc3)c2[C@@H](c2ccccn2)N1CCc1c[nH]c2ccccc12 ZINC000013548827 558843067 /nfs/dbraw/zinc/84/30/67/558843067.db2.gz ZOHJLVMKIBIMIN-RUZDIDTESA-N 0 1 419.488 4.741 50 0 HJAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000058055095 558897117 /nfs/dbraw/zinc/89/71/17/558897117.db2.gz ZBCXATASWJDWBZ-REWPJTCUSA-N 0 1 421.566 4.835 50 0 HJAAMN Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)Nc1cc(C)ccc1C ZINC000033173831 558902134 /nfs/dbraw/zinc/90/21/34/558902134.db2.gz UXSUTDAWFCKVBY-UHFFFAOYSA-N 0 1 415.462 4.883 50 0 HJAAMN Cc1cc(Br)c(O)c(C(=O)N(C)Cc2ccccc2OC(F)(F)F)c1 ZINC000058391260 558923373 /nfs/dbraw/zinc/92/33/73/558923373.db2.gz OEVGKIAHLLPEGM-UHFFFAOYSA-N 0 1 418.209 4.634 50 0 HJAAMN Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)Nc1ccccc1C ZINC000064450474 558963605 /nfs/dbraw/zinc/96/36/05/558963605.db2.gz IPBCNWGWSRRECA-UHFFFAOYSA-N 0 1 411.508 4.883 50 0 HJAAMN C[C@H](NCc1ccc(NC(=O)c2cccnc2)cc1)c1ccc(Br)o1 ZINC000097105389 558993834 /nfs/dbraw/zinc/99/38/34/558993834.db2.gz WYDAWZABLNOQLC-ZDUSSCGKSA-N 0 1 400.276 4.540 50 0 HJAAMN Cc1ccc2nc(SCc3noc(CCC(=O)Nc4cc(C)ccc4C)n3)[nH]c2c1 ZINC000033270733 559032528 /nfs/dbraw/zinc/03/25/28/559032528.db2.gz XLGASWRIWJAKGI-UHFFFAOYSA-N 0 1 421.526 4.735 50 0 HJAAMN COC[C@@H](C)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023314651 559116995 /nfs/dbraw/zinc/11/69/95/559116995.db2.gz WMXLIHUBDDLGOW-GFCCVEGCSA-N 0 1 404.297 4.815 50 0 HJAAMN COC[C@H](C)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023314654 559117013 /nfs/dbraw/zinc/11/70/13/559117013.db2.gz WMXLIHUBDDLGOW-LBPRGKRZSA-N 0 1 404.297 4.815 50 0 HJAAMN Cc1cc(C)c(-c2c(=O)c(=O)c2Nc2ccc(CN3CCC(C)CC3)cc2)cc1C ZINC000102112214 559149298 /nfs/dbraw/zinc/14/92/98/559149298.db2.gz CSHLPOFKMWROGI-UHFFFAOYSA-N 0 1 402.538 4.850 50 0 HJAAMN COc1cccc(C[N@H+](CC(=O)N2CCS[C@H]2c2ccc(F)cc2)CC(C)C)c1 ZINC000004827639 559155295 /nfs/dbraw/zinc/15/52/95/559155295.db2.gz PSTMDBPYPRTIBK-QHCPKHFHSA-N 0 1 416.562 4.567 50 0 HJAAMN COc1cccc(CN(CC(=O)N2CCS[C@H]2c2ccc(F)cc2)CC(C)C)c1 ZINC000004827639 559155297 /nfs/dbraw/zinc/15/52/97/559155297.db2.gz PSTMDBPYPRTIBK-QHCPKHFHSA-N 0 1 416.562 4.567 50 0 HJAAMN CCc1ccc2nc(N(CCN(C)C)C(=O)c3ccc(OC(C)C)cc3)sc2c1 ZINC000005115401 559247295 /nfs/dbraw/zinc/24/72/95/559247295.db2.gz JWJSPPSGCUUTOM-UHFFFAOYSA-N 0 1 411.571 4.854 50 0 HJAAMN Cc1ccc(-n2c(=O)c3cn[nH]c3nc2SCc2ccccc2F)cc1Cl ZINC000005156375 559258895 /nfs/dbraw/zinc/25/88/95/559258895.db2.gz TUXIRDLLDIQJOC-UHFFFAOYSA-N 0 1 400.866 4.502 50 0 aggregator HJAAMN Cc1ccccc1NC(=O)Nc1ccnn1C1CCN(Cc2ccc(F)cc2)CC1 ZINC000011815730 559260360 /nfs/dbraw/zinc/26/03/60/559260360.db2.gz RDXSFQIGWJEHME-UHFFFAOYSA-N 0 1 407.493 4.812 50 0 HJAAMN Cc1nc2ccc(N(C)C(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)cc2[nH]1 ZINC000079096842 560541337 /nfs/dbraw/zinc/54/13/37/560541337.db2.gz LGTBOTOYWAEONH-UHFFFAOYSA-N 0 1 401.495 4.857 50 0 HJAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2ccc(Cl)cc2)N1Cc1ccco1 ZINC000005343407 560568060 /nfs/dbraw/zinc/56/80/60/560568060.db2.gz HVPVWMSNZNCZPF-OAQYLSRUSA-N 0 1 405.841 4.774 50 0 aggregator HJAAMN CN(C)[C@H](CNC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1cccs1 ZINC000062580826 560631602 /nfs/dbraw/zinc/63/16/02/560631602.db2.gz TXWDBRGBWAWUCZ-NQIIRXRSSA-N 0 1 411.596 4.770 50 0 HJAAMN Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000017952287 560731285 /nfs/dbraw/zinc/73/12/85/560731285.db2.gz GYMNKLBWYBVUMP-VSKRKVRLSA-N 0 1 418.880 4.700 50 0 HJAAMN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018038143 560773439 /nfs/dbraw/zinc/77/34/39/560773439.db2.gz QBVBZOBHRWSSFE-SMIHKQSGSA-N 0 1 412.489 4.663 50 0 HJAAMN Cc1ccc(NC(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(C)c(C)c5)nc-4c3c2)cc1 ZINC000101827928 560802678 /nfs/dbraw/zinc/80/26/78/560802678.db2.gz SKAYFXQXJJPOAJ-UHFFFAOYSA-N 0 1 422.488 4.996 50 0 HJAAMN Cc1ccc(CN(Cc2cc(=O)n3ccsc3n2)[C@H]2CCc3ccccc32)cc1 ZINC000048311528 568436970 /nfs/dbraw/zinc/43/69/70/568436970.db2.gz UKKLNCCHCNVFKU-QFIPXVFZSA-N 0 1 401.535 4.754 50 0 HJAAMN Cc1cc(NC(=O)c2ccc(Cl)cc2)c(C)c(S(=O)(=O)c2ccccc2)c1O ZINC000000719263 568465938 /nfs/dbraw/zinc/46/59/38/568465938.db2.gz JIRAOHYEGCNTIQ-UHFFFAOYSA-N 0 1 415.898 4.748 50 0 HJAAMN COc1ccccc1-c1cc(C(=O)Nc2ccccc2-c2cn3cccc(C)c3n2)[nH]n1 ZINC000390827387 568489937 /nfs/dbraw/zinc/48/99/37/568489937.db2.gz GTDCVVVBRWDKSY-UHFFFAOYSA-N 0 1 423.476 4.961 50 0 HJAAMN CCN1CCN(c2cc(C)c3cc(NC(=O)/C(C)=C\c4ccccc4)ccc3n2)CC1 ZINC000020108674 568588522 /nfs/dbraw/zinc/58/85/22/568588522.db2.gz UYXTYMSRDMRCCO-SILNSSARSA-N 0 1 414.553 4.727 50 0 HJAAMN COc1ccc([C@](O)([C@H](CN2CCOCC2)c2ccccc2)C2CCCCC2)cc1 ZINC000020440849 568607543 /nfs/dbraw/zinc/60/75/43/568607543.db2.gz VHZOBNQFBZAHNB-FTJBHMTQSA-N 0 1 409.570 4.579 50 0 HJAAMN Cc1csc(CN(C)C(=O)[C@@H]2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000095465661 568623788 /nfs/dbraw/zinc/62/37/88/568623788.db2.gz CWJWWHNDQUAONR-HUUCEWRRSA-N 0 1 402.951 4.914 50 0 HJAAMN Cc1ccc([C@](O)(c2cccc(C)c2)[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000020868602 568647253 /nfs/dbraw/zinc/64/72/53/568647253.db2.gz XBXZDDMTGVIVGH-SXOMAYOGSA-N 0 1 401.550 4.655 50 0 HJAAMN CCOc1ccccc1NC(=O)NCC1CCN(Cc2cccc(Cl)c2)CC1 ZINC000021175012 568677104 /nfs/dbraw/zinc/67/71/04/568677104.db2.gz QFGAFYPLXJDKGE-UHFFFAOYSA-N 0 1 401.938 4.772 50 0 HJAAMN COc1ccc(CCN2CCN(c3ccccc3SC(C)C)CC2)cc1OC ZINC000096026751 568686811 /nfs/dbraw/zinc/68/68/11/568686811.db2.gz DIKKZYRVMVHGHB-UHFFFAOYSA-N 0 1 400.588 4.569 50 0 HJAAMN COc1cccc(C(=O)N2CCN([C@H](c3ccccc3)c3cc(C)ccc3C)CC2)c1 ZINC000096183761 568702870 /nfs/dbraw/zinc/70/28/70/568702870.db2.gz SNPAQVIDBASWPK-AREMUKBSSA-N 0 1 414.549 4.859 50 0 HJAAMN Clc1ccc(-c2nc3ccccn3c2CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000096190170 568703394 /nfs/dbraw/zinc/70/33/94/568703394.db2.gz BLKIFCXYPPNLBL-UHFFFAOYSA-N 0 1 416.956 4.973 50 0 HJAAMN Cc1ccc(-c2csc(NC(=O)CSc3nc(-c4cccs4)n[nH]3)n2)cc1 ZINC000006035354 568836012 /nfs/dbraw/zinc/83/60/12/568836012.db2.gz WHTMAZDYHRZJRB-UHFFFAOYSA-N 0 1 413.553 4.696 50 0 HJAAMN C[C@@H]1CCN(C(=O)CSc2nc(-c3cccs3)n[nH]2)c2ccccc2S1 ZINC000006035348 568836065 /nfs/dbraw/zinc/83/60/65/568836065.db2.gz GMAZVOBLBNBODF-GFCCVEGCSA-N 0 1 402.570 4.543 50 0 HJAAMN Brc1ccccc1-c1n[nH]c(SCc2nc(-c3ccccc3)no2)n1 ZINC000012569306 568861415 /nfs/dbraw/zinc/86/14/15/568861415.db2.gz AOTNADWYSXEECY-UHFFFAOYSA-N 0 1 414.288 4.577 50 0 HJAAMN O=C(Nn1c(=O)c2c(nc1-c1cccs1)sc1c2CCCC1)c1cccs1 ZINC000003226990 568864195 /nfs/dbraw/zinc/86/41/95/568864195.db2.gz SKTUXWLFBGKKTN-UHFFFAOYSA-N 0 1 413.549 4.511 50 0 HJAAMN O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)Nc1cccc(Cl)c1 ZINC000001237951 568907062 /nfs/dbraw/zinc/90/70/62/568907062.db2.gz ULJBCQKBLSJDAX-UHFFFAOYSA-N 0 1 421.836 4.837 50 0 biogenic HJAAMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3nn(-c4ccccc4)c4c3CCC4)[nH]c2c1 ZINC000058297614 568909309 /nfs/dbraw/zinc/90/93/09/568909309.db2.gz ALKSHDLNJSUQGJ-JOCHJYFZSA-N 0 1 411.509 4.523 50 0 HJAAMN O=C(Nc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1)c1ccco1 ZINC000012738913 568926446 /nfs/dbraw/zinc/92/64/46/568926446.db2.gz SATMIMJNXJJACC-UHFFFAOYSA-N 0 1 411.266 4.640 50 0 HJAAMN O=C1CCCN1c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1Cl ZINC000012759995 568943995 /nfs/dbraw/zinc/94/39/95/568943995.db2.gz CCXDYXCFDAGVLZ-UHFFFAOYSA-N 0 1 419.717 4.574 50 0 HJAAMN COc1cccc(CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1OC ZINC000015581250 568951074 /nfs/dbraw/zinc/95/10/74/568951074.db2.gz RSEZSLPIWOSOHX-UHFFFAOYSA-N 0 1 417.484 4.985 50 0 HJAAMN COc1ccc2[nH]cc([C@@H](C(=O)[O-])[N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)c2c1 ZINC000035107761 568992038 /nfs/dbraw/zinc/99/20/38/568992038.db2.gz HHZZVUFEYUXDOR-QKKBWIMNSA-N 0 1 421.522 4.792 50 0 HJAAMN Cc1cccc(CN(Cc2c(-c3ccccc3)noc2N(C)C(C)C)C[C@H](C)O)c1 ZINC000104999512 569009742 /nfs/dbraw/zinc/00/97/42/569009742.db2.gz IHTJUWVEAJBKDG-FQEVSTJZSA-N 0 1 407.558 4.878 50 0 HJAAMN CCCc1cc(OC)ccc1OCCCN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000045068844 569012994 /nfs/dbraw/zinc/01/29/94/569012994.db2.gz QJYRBCWJDBNQPB-UHFFFAOYSA-N 0 1 416.993 4.888 50 0 HJAAMN CCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)COc3ccc(C)cc3)ccc21 ZINC000026121292 569017406 /nfs/dbraw/zinc/01/74/06/569017406.db2.gz KCRBGQAWRMSTHN-UHFFFAOYSA-N 0 1 420.557 4.614 50 0 HJAAMN COc1ccc2[nH]cc([C@@H](C(=O)[O-])[N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)c2c1 ZINC000020745799 569031184 /nfs/dbraw/zinc/03/11/84/569031184.db2.gz HHZZVUFEYUXDOR-SZNDQCEHSA-N 0 1 421.522 4.792 50 0 HJAAMN COc1ccc2[nH]cc([C@H](C(=O)[O-])[N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)c2c1 ZINC000020745798 569031246 /nfs/dbraw/zinc/03/12/46/569031246.db2.gz HHZZVUFEYUXDOR-SPLOXXLWSA-N 0 1 421.522 4.792 50 0 HJAAMN CCCC[C@H](CC)[C@@H]1c2c(O)n(-c3ccc(C)cc3)c(O)c2ON1c1ccccc1 ZINC000226917353 569040005 /nfs/dbraw/zinc/04/00/05/569040005.db2.gz NJBXYNKCLWDUAR-XSEFMFLKSA-N 0 1 406.526 4.890 50 0 HJAAMN CCCC[C@H](CC)[C@@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000226917353 569040006 /nfs/dbraw/zinc/04/00/06/569040006.db2.gz NJBXYNKCLWDUAR-XSEFMFLKSA-N 0 1 406.526 4.890 50 0 HJAAMN CCCC[C@H](CC)[C@@H]1c2c(O)n(-c3cccc(C)c3)c(O)c2ON1c1ccccc1 ZINC000245311685 569055755 /nfs/dbraw/zinc/05/57/55/569055755.db2.gz QGBCDYBRZMPPGI-IITNATTFSA-N 0 1 406.526 4.890 50 0 HJAAMN CCCC[C@H](CC)[C@@H]1[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)[C@H]2ON1c1ccccc1 ZINC000245311685 569055756 /nfs/dbraw/zinc/05/57/56/569055756.db2.gz QGBCDYBRZMPPGI-IITNATTFSA-N 0 1 406.526 4.890 50 0 HJAAMN COc1cccc(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)sc2C)c1 ZINC000033299228 569059387 /nfs/dbraw/zinc/05/93/87/569059387.db2.gz MLGQSFHFGUTKAI-UHFFFAOYSA-N 0 1 418.418 4.540 50 0 HJAAMN COc1ccccc1[C@H](CNC(=O)c1oc2c(cccc2Cl)c1C)N1CCCC1 ZINC000006589298 569068049 /nfs/dbraw/zinc/06/80/49/569068049.db2.gz WROAXFQGXGPSAO-IBGZPJMESA-N 0 1 412.917 4.970 50 0 HJAAMN CN1CCN(c2ccccc2NC(=O)COc2ccc(C3CCCCC3)cc2)CC1 ZINC000005067908 569071706 /nfs/dbraw/zinc/07/17/06/569071706.db2.gz UOHRQSNXOMFTGR-UHFFFAOYSA-N 0 1 407.558 4.504 50 0 HJAAMN CC[C@@H](NC(=O)C(C)C)[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccc(C)cc1 ZINC000006695779 569091672 /nfs/dbraw/zinc/09/16/72/569091672.db2.gz XNHQQQZADZZEOR-RCZVLFRGSA-N 0 1 424.585 4.662 50 0 HJAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2cccc(Cl)c2)N1Cc1cccnc1 ZINC000006744667 569107460 /nfs/dbraw/zinc/10/74/60/569107460.db2.gz MBDLBDGGSSEJKT-QFIPXVFZSA-N 0 1 416.868 4.576 50 0 HJAAMN CCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000006752959 569111693 /nfs/dbraw/zinc/11/16/93/569111693.db2.gz RPLSWJKJFVQUEJ-QHCPKHFHSA-N 0 1 421.497 4.535 50 0 HJAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 ZINC000006843183 569152614 /nfs/dbraw/zinc/15/26/14/569152614.db2.gz YTJUCPCUHACBPQ-IBGZPJMESA-N 0 1 413.930 4.894 50 0 HJAAMN O=S(=O)(Nc1ccccc1F)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098054 569176942 /nfs/dbraw/zinc/17/69/42/569176942.db2.gz QAIUJVLYIRQTQN-UHFFFAOYSA-N 0 1 419.434 4.544 50 0 HJAAMN CCCCc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2O)cc1 ZINC000007424019 569237986 /nfs/dbraw/zinc/23/79/86/569237986.db2.gz OGHVRLCNLARPKX-UHFFFAOYSA-N 0 1 400.482 4.617 50 0 HJAAMN CCCCN1CCN(C(=O)c2cc(-c3ccncc3)nc3ccc(Cl)cc32)CC1 ZINC000013321673 569254954 /nfs/dbraw/zinc/25/49/54/569254954.db2.gz CCNODHMOOMYXLO-UHFFFAOYSA-N 0 1 408.933 4.508 50 0 HJAAMN COc1cccc(N(C(=O)c2ccco2)C2CCN(Cc3cccc(F)c3)CC2)c1 ZINC000037560094 569306931 /nfs/dbraw/zinc/30/69/31/569306931.db2.gz INTWCLKTWGRWSG-UHFFFAOYSA-N 0 1 408.473 4.739 50 0 HJAAMN O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c(O)c1-3)[C@H](c1cccnc1)CC(=O)O2 ZINC000253413853 569366846 /nfs/dbraw/zinc/36/68/46/569366846.db2.gz VVWFFNXZRDYJPX-HNNXBMFYSA-N 0 1 419.820 4.655 50 0 biogenic HJAAMN CCCN1CCN(C(=O)c2cc(-c3cc(C)ccc3C)nc3c(C)cccc23)CC1 ZINC000055057218 569380811 /nfs/dbraw/zinc/38/08/11/569380811.db2.gz KZLKPNDUBILDEB-UHFFFAOYSA-N 0 1 401.554 4.995 50 0 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Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc43)cc2)cc1 ZINC000003635583 557495653 /nfs/dbraw/zinc/49/56/53/557495653.db2.gz ZVUGFODEAXZKBX-UHFFFAOYSA-N 0 1 417.490 4.596 50 0 HJAAMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000004756982 557594162 /nfs/dbraw/zinc/59/41/62/557594162.db2.gz HDQFLXPUPSXBTB-UHFFFAOYSA-N 0 1 412.536 4.603 50 0 HJAAMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)NCc1ccccc1Cl ZINC000002970330 557775167 /nfs/dbraw/zinc/77/51/67/557775167.db2.gz DBXSLBYFVWCOHM-UHFFFAOYSA-N 0 1 415.946 4.589 50 0 HJAAMN Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(Cc4ccccc4Cl)CC3)cc2)n1 ZINC000011839062 558285708 /nfs/dbraw/zinc/28/57/08/558285708.db2.gz HBDMMMVHURZBNJ-UHFFFAOYSA-N 0 1 422.960 4.993 50 0 HJAAMN CSc1ccc(CN2CCC(Oc3ccccc3C(=O)N3CCCC3)CC2)cc1 ZINC000011843077 558287978 /nfs/dbraw/zinc/28/79/78/558287978.db2.gz UHYWHERRDCKWSE-UHFFFAOYSA-N 0 1 410.583 4.688 50 0 HJAAMN COc1cc(CN[C@H](C)c2cnn(-c3cccc4ccccc43)c2C)cc2c1OCO2 ZINC000012022045 558309503 /nfs/dbraw/zinc/30/95/03/558309503.db2.gz 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CCn1c(-c2cc(NC(=O)COc3ccc(Cl)cc3)[nH]n2)cc2c1cccc2OC ZINC000096398637 568747619 /nfs/dbraw/zinc/74/76/19/568747619.db2.gz QUKPEEXQOWVXEW-UHFFFAOYSA-N 0 1 424.888 4.731 50 0 HJAAMN CCn1c(-c2cc(NC(=O)Cc3ccc(OC)cc3Cl)[nH]n2)cc2ccccc21 ZINC000096400256 568749392 /nfs/dbraw/zinc/74/93/92/568749392.db2.gz PMKZFHGTEJHQRF-UHFFFAOYSA-N 0 1 408.889 4.895 50 0 HJAAMN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)c2ccc(OC)cc2OC)[nH]n1 ZINC000096400263 568749420 /nfs/dbraw/zinc/74/94/20/568749420.db2.gz WDYDAFMNDWJMLQ-UHFFFAOYSA-N 0 1 404.470 4.629 50 0 HJAAMN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)c2cc(OC)cc(OC)c2)[nH]n1 ZINC000096400264 568749630 /nfs/dbraw/zinc/74/96/30/568749630.db2.gz INJWJHZYWFPZBV-UHFFFAOYSA-N 0 1 404.470 4.629 50 0 HJAAMN O=c1oc2c(cc(NS(=O)(=O)c3cccc4ccccc43)c3ccccc23)s1 ZINC000000950308 568756911 /nfs/dbraw/zinc/75/69/11/568756911.db2.gz PLHPUIGOCUOCAC-UHFFFAOYSA-N 0 1 407.472 4.962 50 0 HJAAMN C[C@@H](Sc1nc(C=Cc2ccc(F)cc2)n[nH]1)C(=O)N1CCCc2ccccc21 ZINC000096942211 568765557 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Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CNCc1cccc(Cl)c1 ZINC000055225482 558876748 /nfs/dbraw/zinc/87/67/48/558876748.db2.gz BLZCIFLRDBUPRO-UHFFFAOYSA-N 0 1 410.949 4.602 50 0 HJAAMN COc1cc(NC(=O)[C@@H](C)N[C@H](c2ccccc2)c2ccc(C)cc2)cc(OC)c1 ZINC000058135663 558901015 /nfs/dbraw/zinc/90/10/15/558901015.db2.gz SWSJDFCVXLWKEM-HOYKHHGWSA-N 0 1 404.510 4.718 50 0 HJAAMN O=C(Nc1ccc(N2CCN(C3CC3)CC2)cc1)c1ccc(-c2ccccc2F)o1 ZINC000058325475 558919613 /nfs/dbraw/zinc/91/96/13/558919613.db2.gz LOPUEBGHTQPVNH-UHFFFAOYSA-N 0 1 405.473 4.622 50 0 HJAAMN CSC1=NC(C)(C)C[C@@]2(C[C@@H](c3ccccc3)Oc3cc(OC(C)=O)ccc32)N1 ZINC000096602020 558980949 /nfs/dbraw/zinc/98/09/49/558980949.db2.gz IMFLNOWDDUVXEY-NZQKXSOJSA-N 0 1 410.539 4.822 50 0 HJAAMN Cc1ccc2nc(SCc3noc(CCC(=O)Nc4ccc(C)cc4C)n3)[nH]c2c1 ZINC000033270794 559032626 /nfs/dbraw/zinc/03/26/26/559032626.db2.gz ZWYCFWCMKODKKF-UHFFFAOYSA-N 0 1 421.526 4.735 50 0 HJAAMN CSc1cccc(NS(=O)(=O)c2c(C)sc(C)c2-c2n[nH]c(C)c2C)c1 ZINC000033306737 559051753 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CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NCCc1cnc[nH]1)n2C ZINC000033435948 559192530 /nfs/dbraw/zinc/19/25/30/559192530.db2.gz ZJIZZUBDFCKGSJ-UHFFFAOYSA-N 0 1 406.917 4.757 50 0 HJAAMN COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)ccc1O ZINC000007064893 560206629 /nfs/dbraw/zinc/20/66/29/560206629.db2.gz YQITXDDUZAGSSZ-YSZBQJHXSA-N 0 1 401.934 4.923 50 0 biogenic,in-vitro HJAAMN Cc1nn(-c2ccccc2C)c2sc(C(=O)N3CCN(C4CCCCC4)CC3)cc12 ZINC000061927159 560562635 /nfs/dbraw/zinc/56/26/35/560562635.db2.gz SVGZUNTUUWRQAX-UHFFFAOYSA-N 0 1 422.598 4.794 50 0 HJAAMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)C1c2ccccc2Oc2ccccc21 ZINC000005511532 560601199 /nfs/dbraw/zinc/60/11/99/560601199.db2.gz OPTYHPDRICIIRI-FQEVSTJZSA-N 0 1 402.494 4.861 50 0 HJAAMN CN(C)[C@@H](CNC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1cccs1 ZINC000062580825 560631600 /nfs/dbraw/zinc/63/16/00/560631600.db2.gz TXWDBRGBWAWUCZ-RXVVDRJESA-N 0 1 411.596 4.770 50 0 HJAAMN CN(C)[C@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1cccs1 ZINC000017796129 560728327 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415.898 4.748 50 0 HJAAMN Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)Nc1cccc(C)c1C ZINC000033173796 568511650 /nfs/dbraw/zinc/51/16/50/568511650.db2.gz WNIOXRHMGYNKHU-UHFFFAOYSA-N 0 1 415.462 4.883 50 0 HJAAMN COc1ccc(Sc2nsc(NC(=O)c3cc(-c4ccccc4)on3)n2)cc1 ZINC000080345366 568602934 /nfs/dbraw/zinc/60/29/34/568602934.db2.gz CQZVZBUDZRPFRP-UHFFFAOYSA-N 0 1 410.480 4.605 50 0 HJAAMN Cc1csc(CN(C)C(=O)[C@H]2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000095465662 568623766 /nfs/dbraw/zinc/62/37/66/568623766.db2.gz CWJWWHNDQUAONR-CABCVRRESA-N 0 1 402.951 4.914 50 0 HJAAMN CC[C@@H](C)c1ccccc1OC[C@@H](O)CN1CCN(c2cc(Cl)ccc2C)CC1 ZINC000020807212 568644050 /nfs/dbraw/zinc/64/40/50/568644050.db2.gz HRBNXKDGOLTHFX-NQIIRXRSSA-N 0 1 416.993 4.724 50 0 HJAAMN O[C@](CCc1ccccc1)(c1ccccc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000021170327 568676227 /nfs/dbraw/zinc/67/62/27/568676227.db2.gz HTSNGPAGLOBCSR-KAYWLYCHSA-N 0 1 401.550 4.623 50 0 HJAAMN Cc1cc(-c2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c(C)s2)on1 ZINC000096323449 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4.543 50 0 HJAAMN O=C(C[C@H](c1cccc2ccccc21)n1cccc1)Nc1ccc2nc(CO)[nH]c2c1 ZINC000263587652 568883110 /nfs/dbraw/zinc/88/31/10/568883110.db2.gz JODHVTCKWSXPPH-HSZRJFAPSA-N 0 1 410.477 4.628 50 0 HJAAMN O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccccc1Cc1ccccc1 ZINC000003386066 568893409 /nfs/dbraw/zinc/89/34/09/568893409.db2.gz NQSUVWRZMWETNC-UHFFFAOYSA-N 0 1 400.507 4.793 50 0 HJAAMN CC(=O)Nc1cccc(NC(=O)CN[C@H](c2ccccc2)c2ccc(C)c(C)c2)c1 ZINC000012819679 568991453 /nfs/dbraw/zinc/99/14/53/568991453.db2.gz LJFCSFISOXMGFI-RUZDIDTESA-N 0 1 401.510 4.580 50 0 HJAAMN CCCOc1ccc(C(O)=C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc1 ZINC000035171055 569002188 /nfs/dbraw/zinc/00/21/88/569002188.db2.gz DZMIZUFQUSEGHF-FQEVSTJZSA-N 0 1 403.482 4.587 50 0 HJAAMN Cc1[nH]c2ccccc2c1[C@H](c1ccccn1)N1CCN(c2ccc(F)cc2)CC1 ZINC000054114287 569058421 /nfs/dbraw/zinc/05/84/21/569058421.db2.gz YTYZIQLASLKRKT-VWLOTQADSA-N 0 1 400.501 4.922 50 0 HJAAMN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000006707699 569095424 /nfs/dbraw/zinc/09/54/24/569095424.db2.gz FZXHPQAAWVODAQ-SFHVURJKSA-N 0 1 420.534 4.696 50 0 HJAAMN CCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccco2)c1 ZINC000006752788 569111373 /nfs/dbraw/zinc/11/13/73/569111373.db2.gz QHTKIXUTTFBWGV-HSZRJFAPSA-N 0 1 415.449 4.519 50 0 HJAAMN CCOc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCCC2)cc1 ZINC000036344001 569142486 /nfs/dbraw/zinc/14/24/86/569142486.db2.gz SHPXDMQMGYLDMN-JOCHJYFZSA-N 0 1 411.933 4.512 50 0 HJAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@H](C)O ZINC000036346662 569143835 /nfs/dbraw/zinc/14/38/35/569143835.db2.gz QAVPNDIWTJCJBD-INIZCTEOSA-N 0 1 415.484 4.844 50 0 HJAAMN Cc1nn(C[C@@H](C)c2n[nH]c(=S)n2-c2cccc(C)c2C)c(C)c1Br ZINC000006912980 569179465 /nfs/dbraw/zinc/17/94/65/569179465.db2.gz DRWAPUZTNWNCJD-LLVKDONJSA-N 0 1 420.380 4.926 50 0 HJAAMN CC(C)Cn1nc(C(=O)O[C@H](C)c2nc3ccc(Cl)cc3[nH]2)c2ccccc2c1=O ZINC000170625403 569250110 /nfs/dbraw/zinc/25/01/10/569250110.db2.gz FWXBMMBPUDGZQP-CYBMUJFWSA-N 0 1 424.888 4.500 50 0 HJAAMN Cc1ccccc1-n1nc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c2c1CCC2 ZINC000089700337 569262778 /nfs/dbraw/zinc/26/27/78/569262778.db2.gz IFRUMQUOPLBNFW-UHFFFAOYSA-N 0 1 407.424 4.736 50 0 HJAAMN O=c1cc(CN(Cc2cccc(-c3cccnc3)c2)C2CC2)nc2ccc(Cl)cn12 ZINC000089780867 569264219 /nfs/dbraw/zinc/26/42/19/569264219.db2.gz PYSSVLYWAAARIG-UHFFFAOYSA-N 0 1 416.912 4.575 50 0 HJAAMN CC(=O)Nc1cccc(CN[C@@H](Cc2ccccn2)c2ccc(Br)cc2)c1 ZINC000170669376 569297625 /nfs/dbraw/zinc/29/76/25/569297625.db2.gz IHYBLEAZTBDJCN-QFIPXVFZSA-N 0 1 424.342 4.876 50 0 HJAAMN CCCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CC)cc1 ZINC000008845828 571125506 /nfs/dbraw/zinc/12/55/06/571125506.db2.gz ZUXZOIDWGRRESD-QHCPKHFHSA-N 0 1 405.498 4.916 50 0 HJAAMN CCCCCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CC)c1 ZINC000008845829 571125569 /nfs/dbraw/zinc/12/55/69/571125569.db2.gz NKVGSOZEYPDHIJ-HSZRJFAPSA-N 0 1 405.498 4.916 50 0 HJAAMN COc1cccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCCC[C@H]2C)c1 ZINC000245328776 571225548 /nfs/dbraw/zinc/22/55/48/571225548.db2.gz PNJWCAYMOOHPGG-NLFFAJNJSA-N 0 1 419.569 4.864 50 0 HJAAMN COc1ccc(C)cc1NC(=O)[C@@H](NC[C@H]1COc2ccccc2C1)c1ccccc1 ZINC000009315074 571247361 /nfs/dbraw/zinc/24/73/61/571247361.db2.gz KRQPQYTZIDADTM-DFBJGRDBSA-N 0 1 416.521 4.524 50 0 HJAAMN Cc1cc(=O)oc2cc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)ccc12 ZINC000009468745 571261390 /nfs/dbraw/zinc/26/13/90/571261390.db2.gz YJZKZOXCRCHWJG-UHFFFAOYSA-N 0 1 417.792 4.574 50 0 HJAAMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)N[C@@H](c1cccs1)c1ccccc1 ZINC000009663487 571277824 /nfs/dbraw/zinc/27/78/24/571277824.db2.gz ROZHCDPRIWPLEI-LJQANCHMSA-N 0 1 424.526 4.670 50 0 HJAAMN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(c2nc3ccc(C)cc3[nH]2)C1 ZINC000077190835 571312241 /nfs/dbraw/zinc/31/22/41/571312241.db2.gz VUTVWASJUVGOJT-UHFFFAOYSA-N 0 1 406.873 4.728 50 0 HJAAMN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)N1CCCc2ccccc21 ZINC000003215724 132263312 /nfs/dbraw/zinc/26/33/12/132263312.db2.gz KUONJQSQCMEUKU-UHFFFAOYSA-N 0 1 424.497 4.528 50 0 HJAAMN Cc1ccc(CN2CCN(c3ncnc4sc5c(c43)C[C@H](C)CC5)CC2)c(C)c1 ZINC000004284122 132274225 /nfs/dbraw/zinc/27/42/25/132274225.db2.gz AMXLSOWIMPHJNG-QGZVFWFLSA-N 0 1 406.599 4.755 50 0 HJAAMN Cc1cccc2c1-c1sc(C(=O)Nc3ccccc3N3CCN(C)CC3)cc1CO2 ZINC000004909484 132293483 /nfs/dbraw/zinc/29/34/83/132293483.db2.gz OVVNEEYCPYTNEM-UHFFFAOYSA-N 0 1 419.550 4.620 50 0 HJAAMN Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4c5ccccc5ccc4N(C)C3)C2=O)c(C)c1 ZINC000008974385 132334335 /nfs/dbraw/zinc/33/43/35/132334335.db2.gz JQFYPQGQFAACIX-RUZDIDTESA-N 0 1 413.477 4.559 50 0 HJAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc12 ZINC000020114337 132470140 /nfs/dbraw/zinc/47/01/40/132470140.db2.gz PRYFZCYZSNFXET-UHFFFAOYSA-N 0 1 416.569 4.845 50 0 HJAAMN CCCc1nc(SCc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)n[nH]1 ZINC000032907142 521463013 /nfs/dbraw/zinc/46/30/13/521463013.db2.gz UQIZGRYKAAJJBB-UHFFFAOYSA-N 0 1 401.561 4.807 50 0 HJAAMN CCCc1n[nH]c(SCc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)n1 ZINC000032907142 521463020 /nfs/dbraw/zinc/46/30/20/521463020.db2.gz UQIZGRYKAAJJBB-UHFFFAOYSA-N 0 1 401.561 4.807 50 0 HJAAMN COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)N2CCCC2)cc1 ZINC000032623526 525186090 /nfs/dbraw/zinc/18/60/90/525186090.db2.gz SYPKGZQGPOXTRH-HSZRJFAPSA-N 0 1 419.525 4.534 50 0 HJAAMN COc1cccc([C@@H]2CC(c3c(O)cc(C)oc3=O)=Nc3ccccc3S2)c1O ZINC000000754336 557076183 /nfs/dbraw/zinc/07/61/83/557076183.db2.gz BWCPGXSVXRCGOT-IBGZPJMESA-N 0 1 409.463 4.726 50 0 HJAAMN CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000000872966 557107618 /nfs/dbraw/zinc/10/76/18/557107618.db2.gz MFEUYYHCRUJZPU-INIZCTEOSA-N 0 1 411.310 4.609 50 0 HJAAMN Cc1cccc(CNC(=O)c2ccc(C)nc2C2CCN(Cc3ccco3)CC2)c1 ZINC000034725816 557442742 /nfs/dbraw/zinc/44/27/42/557442742.db2.gz XHFKUCKSQUQHPU-UHFFFAOYSA-N 0 1 403.526 4.601 50 0 HJAAMN COc1ccc(-c2[nH]nc(C3CCOCC3)c2NC(=O)CC2CCCC2)cc1OC ZINC000034794012 557470559 /nfs/dbraw/zinc/47/05/59/557470559.db2.gz AYJIMMBWLKQLOO-UHFFFAOYSA-N 0 1 413.518 4.507 50 0 HJAAMN CSc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000004756903 557594189 /nfs/dbraw/zinc/59/41/89/557594189.db2.gz ZVVGVYIFKXPLHB-UHFFFAOYSA-N 0 1 412.536 4.770 50 0 HJAAMN COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NCc2cccc(C(C)=O)c2)cc1 ZINC000011817145 558280302 /nfs/dbraw/zinc/28/03/02/558280302.db2.gz MQGAEGWUWSUFEH-QHCPKHFHSA-N 0 1 403.526 4.887 50 0 HJAAMN CCOc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCCCC2)cc1 ZINC000011905385 558296094 /nfs/dbraw/zinc/29/60/94/558296094.db2.gz UNOJTKNOPMBUBF-HSZRJFAPSA-N 0 1 419.525 4.697 50 0 HJAAMN COc1ccc(NC(=O)[C@H]2CC23CCN(Cc2ccccc2F)CC3)cc1Cl ZINC000011909722 558296480 /nfs/dbraw/zinc/29/64/80/558296480.db2.gz KSXZGLCYJYYWHH-QGZVFWFLSA-N 0 1 402.897 4.729 50 0 HJAAMN COc1ccc(C(=O)C[C@@H](c2ccccc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000019944802 558314828 /nfs/dbraw/zinc/31/48/28/558314828.db2.gz SDDXAPOKWOBOQN-VWLOTQADSA-N 0 1 400.522 4.832 50 0 HJAAMN Cc1ccc(CN(C)Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)o1 ZINC000012094607 558325050 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COc1ccc2nc(SCC(=O)NC(c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000013284553 558529088 /nfs/dbraw/zinc/52/90/88/558529088.db2.gz NFHGYOISXIPWFO-UHFFFAOYSA-N 0 1 403.507 4.569 50 0 HJAAMN CC(C)Cc1cc(-c2nn3c(CSc4ccc(Cl)cc4)nnc3s2)[nH]n1 ZINC000013736544 558588828 /nfs/dbraw/zinc/58/88/28/558588828.db2.gz SDVJGFDZPMKPSH-UHFFFAOYSA-N 0 1 404.952 4.720 50 0 HJAAMN CC(C)N(CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000004455345 558589988 /nfs/dbraw/zinc/58/99/88/558589988.db2.gz AMADQXBLYWTPAX-NRFANRHFSA-N 0 1 406.954 4.964 50 0 HJAAMN CCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)COc3ccccc3C)ccc21 ZINC000026121307 558655666 /nfs/dbraw/zinc/65/56/66/558655666.db2.gz ULRDTTURKUCWII-UHFFFAOYSA-N 0 1 420.557 4.614 50 0 HJAAMN CCn1nc(C)c(CN2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)c1C ZINC000014981415 558691896 /nfs/dbraw/zinc/69/18/96/558691896.db2.gz LAHGGFHWALMZKV-NRFANRHFSA-N 0 1 401.554 4.867 50 0 HJAAMN CC(C)(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3ccccc3o2)N2CCCC2)cc1 ZINC000028289557 558696225 /nfs/dbraw/zinc/69/62/25/558696225.db2.gz GFEYOBUACUSJDH-OAQYLSRUSA-N 0 1 418.537 4.657 50 0 HJAAMN Cc1cc2oc(C(=O)NC[C@H](c3cccs3)N3CCCCCC3)cc(=O)c2cc1C ZINC000028289962 558696515 /nfs/dbraw/zinc/69/65/15/558696515.db2.gz SKDBCGKAQISRBP-LJQANCHMSA-N 0 1 424.566 4.818 50 0 HJAAMN COc1cc(NC(=O)CC[C@@H]2CCCN(Cc3cc(F)cc(F)c3)C2)cc(OC)c1 ZINC000015070551 558712581 /nfs/dbraw/zinc/71/25/81/558712581.db2.gz GFHCNDRVOIKEPP-INIZCTEOSA-N 0 1 418.484 4.613 50 0 HJAAMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CC=C(c2ccccc2)CC1 ZINC000015721656 558749933 /nfs/dbraw/zinc/74/99/33/558749933.db2.gz WDKMHQWJCFRQJT-UHFFFAOYSA-N 0 1 408.299 4.769 50 0 HJAAMN Cc1ccc([C@@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)N2CCCCC2)o1 ZINC000015860191 558757805 /nfs/dbraw/zinc/75/78/05/558757805.db2.gz CMDQLYWBSTWUPT-LJQANCHMSA-N 0 1 404.938 4.580 50 0 HJAAMN Cc1ccc(N2C(=O)NC(=O)[C@](CCc3ccccn3)(Cc3cccs3)C2=O)cc1 ZINC000001127424 558775288 /nfs/dbraw/zinc/77/52/88/558775288.db2.gz XSPJDXNPANEXEV-QHCPKHFHSA-N 0 1 419.506 4.737 50 0 HJAAMN Cn1cccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)C(F)(F)F ZINC000000997695 558835968 /nfs/dbraw/zinc/83/59/68/558835968.db2.gz VXHDSROAGRQIGL-IBGZPJMESA-N 0 1 417.431 4.730 50 0 HJAAMN COc1ccc(-c2csc3ncnc(N4CCN(Cc5ccccc5)CC4)c23)cc1 ZINC000054214448 558866749 /nfs/dbraw/zinc/86/67/49/558866749.db2.gz BOQRXNAAYVHGSM-UHFFFAOYSA-N 0 1 416.550 4.689 50 0 HJAAMN CC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2[n-]c(-c3ccc(C)cc3)cc2n1 ZINC000033126338 558884065 /nfs/dbraw/zinc/88/40/65/558884065.db2.gz JWUUMTLFZHIFFS-UHFFFAOYSA-N 0 1 406.917 4.674 50 0 HJAAMN COc1cc(CNc2ncc(-c3ccc(C)c(C)c3)n2C)cc(Br)c1O ZINC000004678802 558890008 /nfs/dbraw/zinc/89/00/08/558890008.db2.gz DDPLSUCVAFJHBF-UHFFFAOYSA-N 0 1 416.319 4.793 50 0 HJAAMN Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)Nc1c(C)cccc1C ZINC000033173798 558901984 /nfs/dbraw/zinc/90/19/84/558901984.db2.gz SYSSDOKQXLPSIG-UHFFFAOYSA-N 0 1 415.462 4.883 50 0 HJAAMN CSC1=NC(C)(C)C[C@]2(C[C@@H](c3ccccc3)Oc3cc(OC(C)=O)ccc32)N1 ZINC000096602022 558981215 /nfs/dbraw/zinc/98/12/15/558981215.db2.gz IMFLNOWDDUVXEY-REWPJTCUSA-N 0 1 410.539 4.822 50 0 HJAAMN FC(F)(F)c1cccc2c(N3CCC4(CCCN4Cc4ncc[nH]4)CC3)ccnc21 ZINC000072480372 558984011 /nfs/dbraw/zinc/98/40/11/558984011.db2.gz MUQOGEKMIXLPEP-UHFFFAOYSA-N 0 1 415.463 4.612 50 0 HJAAMN COc1ccc(CC(=O)Nc2cccc(-c3nc4ccc(C)cc4[nH]3)c2)cc1OC ZINC000033328613 559061107 /nfs/dbraw/zinc/06/11/07/559061107.db2.gz UNYXIIIHLREXLQ-UHFFFAOYSA-N 0 1 401.466 4.737 50 0 HJAAMN O=S(=O)(C=Cc1ccc(Cl)cc1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000098064846 559062693 /nfs/dbraw/zinc/06/26/93/559062693.db2.gz XCGBHAKQBLLNAD-BQYQJAHWSA-N 0 1 401.797 4.648 50 0 HJAAMN O=S(=O)(Nc1cc(F)cc(F)c1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098073055 559126666 /nfs/dbraw/zinc/12/66/66/559126666.db2.gz ORXDJENKZMBVNW-UHFFFAOYSA-N 0 1 416.165 4.547 50 0 HJAAMN CCc1nnsc1C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(C)c(F)c1 ZINC000004941905 559213243 /nfs/dbraw/zinc/21/32/43/559213243.db2.gz GQQXIXRWODVOBU-UHFFFAOYSA-N 0 1 409.442 4.778 50 0 HJAAMN CN(C)[C@H](CNC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1cccs1 ZINC000062580830 560631636 /nfs/dbraw/zinc/63/16/36/560631636.db2.gz TXWDBRGBWAWUCZ-WIYYLYMNSA-N 0 1 411.596 4.770 50 0 HJAAMN CCc1ccc(NC(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(C)cc5)nc-4c3c2)cc1 ZINC000101828109 560802659 /nfs/dbraw/zinc/80/26/59/560802659.db2.gz JSZIOWJEEANGBG-UHFFFAOYSA-N 0 1 422.488 4.942 50 0 HJAAMN Cc1ccc(C)c([C@H](C)N[C@@H]2c3ccccc3C[C@H]2NS(=O)(=O)c2ccccc2)c1 ZINC000103242068 560840485 /nfs/dbraw/zinc/84/04/85/560840485.db2.gz BOMDGRDQPRQHME-QTLGCAHFSA-N 0 1 420.578 4.599 50 0 HJAAMN CCOc1ccc(CN(Cc2ccccc2)Cc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000045974079 568422792 /nfs/dbraw/zinc/42/27/92/568422792.db2.gz KQGZJBPIKRAPGE-UHFFFAOYSA-N 0 1 413.521 4.604 50 0 HJAAMN CCCCOc1ccc(-c2cc(C(=O)Nc3nnc(SCC)s3)no2)cc1 ZINC000046086755 568428113 /nfs/dbraw/zinc/42/81/13/568428113.db2.gz FOGBZDAAVGEBKR-UHFFFAOYSA-N 0 1 404.517 4.736 50 0 HJAAMN Brc1ccccc1-c1nnc(CN2CCC(Cc3ccccc3)CC2)o1 ZINC000007341692 568479169 /nfs/dbraw/zinc/47/91/69/568479169.db2.gz LMSTUQKVKQDBFD-UHFFFAOYSA-N 0 1 412.331 4.954 50 0 HJAAMN Cc1ccc([C@@](O)(CCc2ccccc2)[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000020447335 568608478 /nfs/dbraw/zinc/60/84/78/568608478.db2.gz SBFFBPPSNIPZQX-NSOVKSMOSA-N 0 1 415.577 4.931 50 0 HJAAMN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000095465105 568623066 /nfs/dbraw/zinc/62/30/66/568623066.db2.gz PXQFFAPLSDZAFK-HZPDHXFCSA-N 0 1 411.889 4.535 50 0 HJAAMN CCOc1ccc([C@](O)(C(C)C)[C@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020868324 568647126 /nfs/dbraw/zinc/64/71/26/568647126.db2.gz PJLUFNUVHYKZCR-DNQXCXABSA-N 0 1 417.977 4.698 50 0 HJAAMN Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CCC(C(=O)c2ccccc2)CC1 ZINC000095982395 568675432 /nfs/dbraw/zinc/67/54/32/568675432.db2.gz HNHDKRXPQSNTFL-UHFFFAOYSA-N 0 1 401.554 4.952 50 0 HJAAMN CCCSc1ccccc1N1CCN(CCC[C@@H](O)c2ccccc2OC)CC1 ZINC000096026840 568686821 /nfs/dbraw/zinc/68/68/21/568686821.db2.gz NFRPOTYXOVJKSB-JOCHJYFZSA-N 0 1 414.615 4.833 50 0 HJAAMN Cc1noc(-c2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c(C)s2)c1C ZINC000096323560 568732237 /nfs/dbraw/zinc/73/22/37/568732237.db2.gz FLFKBCXADXYYKE-UHFFFAOYSA-N 0 1 400.884 4.922 50 0 HJAAMN CCn1c(-c2cc(NC(=O)CCc3ccccc3OC)[nH]n2)cc2cc(OC)ccc21 ZINC000096398605 568747360 /nfs/dbraw/zinc/74/73/60/568747360.db2.gz XNHDDNGUKRTYBQ-UHFFFAOYSA-N 0 1 418.497 4.640 50 0 HJAAMN CCn1c(-c2cc(NC(=O)Cc3ccccc3Cl)[nH]n2)cc2ccc(OC)cc21 ZINC000096400341 568749675 /nfs/dbraw/zinc/74/96/75/568749675.db2.gz SQMCKGOKWGSRGR-UHFFFAOYSA-N 0 1 408.889 4.895 50 0 HJAAMN COc1ccc([C@@H]2CCCN2Cc2cc(=O)oc3cc(Br)ccc23)cc1 ZINC000096791939 568764787 /nfs/dbraw/zinc/76/47/87/568764787.db2.gz SWOXSJBTNZJHMD-IBGZPJMESA-N 0 1 414.299 4.901 50 0 HJAAMN Cc1[nH]c2ccccc2c1[C@@H](NS(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl ZINC000001065172 568766439 /nfs/dbraw/zinc/76/64/39/568766439.db2.gz DQHOILISLFJVTD-MRXNPFEDSA-N 0 1 417.745 4.866 50 0 HJAAMN O=C(CN1CCC[C@H]1c1cccs1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000230004752 568801206 /nfs/dbraw/zinc/80/12/06/568801206.db2.gz WKPACDBSEVPPRR-WMZOPIPTSA-N 0 1 411.596 4.901 50 0 HJAAMN Fc1ccc(-c2csc3ncnc(N4CCN(Cc5ccccc5)CC4)c23)cc1 ZINC000057366636 568829530 /nfs/dbraw/zinc/82/95/30/568829530.db2.gz PJYYKAKEODCFAG-UHFFFAOYSA-N 0 1 404.514 4.820 50 0 HJAAMN CCOc1ccc(CN(C)Cc2cc(=O)oc3cc(C)c(Cl)cc23)cc1OC ZINC000057406493 568832759 /nfs/dbraw/zinc/83/27/59/568832759.db2.gz DAEPHEOPQQALQI-UHFFFAOYSA-N 0 1 401.890 4.794 50 0 HJAAMN CCc1ccc(NC(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC000003404415 568896963 /nfs/dbraw/zinc/89/69/63/568896963.db2.gz VISHRHCNQBJVRT-UHFFFAOYSA-N 0 1 417.332 4.527 50 0 HJAAMN Cc1cc(O)c(C2=Nc3ccccc3S[C@@H](c3ccc4c(c3)OCO4)C2)c(=O)o1 ZINC000005441819 568906830 /nfs/dbraw/zinc/90/68/30/568906830.db2.gz OZGALNWXNJTTKM-HXUWFJFHSA-N 0 1 407.447 4.740 50 0 biogenic HJAAMN CC(C)c1ccc([C@H](C)NCCS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000012766449 568948576 /nfs/dbraw/zinc/94/85/76/568948576.db2.gz DOBCGNFEWLRTGM-HNNXBMFYSA-N 0 1 410.377 4.697 50 0 HJAAMN CCOc1ccc(-c2cc(-c3nc(-c4ccc(Br)cc4)no3)[nH]n2)cc1 ZINC000007998480 568967670 /nfs/dbraw/zinc/96/76/70/568967670.db2.gz VWLBXTKMJMPSCE-UHFFFAOYSA-N 0 1 411.259 4.955 50 0 HJAAMN COc1ccc(C(=O)Nc2cccc(CCc3nc4ccc(C)cc4[nH]3)c2)c(OC)c1 ZINC000015863575 569016159 /nfs/dbraw/zinc/01/61/59/569016159.db2.gz OXKNYUPLUBMFOX-UHFFFAOYSA-N 0 1 415.493 4.926 50 0 HJAAMN Cc1[nH]c2ccccc2c1[C@H](c1ccncc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000054105764 569057495 /nfs/dbraw/zinc/05/74/95/569057495.db2.gz DWLQQSQXUARJQP-VWLOTQADSA-N 0 1 400.501 4.922 50 0 HJAAMN Cc1ccc(O)c(-c2[nH]nc3c2[C@@H](c2ccccc2F)N(Cc2ccco2)C3=O)c1 ZINC000006753261 569110748 /nfs/dbraw/zinc/11/07/48/569110748.db2.gz KCGNWMHNDRLLNS-JOCHJYFZSA-N 0 1 403.413 4.568 50 0 aggregator HJAAMN CCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccco2)c1 ZINC000006752789 569111314 /nfs/dbraw/zinc/11/13/14/569111314.db2.gz QHTKIXUTTFBWGV-QHCPKHFHSA-N 0 1 415.449 4.519 50 0 HJAAMN CCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCC)cc1 ZINC000006752938 569111607 /nfs/dbraw/zinc/11/16/07/569111607.db2.gz UXFBXNXJGQDLAB-HSZRJFAPSA-N 0 1 405.498 4.916 50 0 HJAAMN O=S(=O)(Nc1ccc(Cl)cc1F)c1ccc(-c2nnc(C3CCC3)o2)s1 ZINC000064920601 569121238 /nfs/dbraw/zinc/12/12/38/569121238.db2.gz UNHMRASJRRRLCQ-UHFFFAOYSA-N 0 1 413.883 4.659 50 0 HJAAMN COc1ccc(O)c([C@@H]2CC(c3c(O)cc(C)oc3=O)=Nc3ccccc3S2)c1 ZINC000006825392 569141111 /nfs/dbraw/zinc/14/11/11/569141111.db2.gz RJXNIEKMQFKMNU-FQEVSTJZSA-N 0 1 409.463 4.726 50 0 biogenic HJAAMN COc1ccccc1C1=NN(C(=O)CN2CCC(C)CC2)[C@H](c2cc(C)ccc2C)C1 ZINC000036344684 569142622 /nfs/dbraw/zinc/14/26/22/569142622.db2.gz DNELDWZVLRZGJE-DEOSSOPVSA-N 0 1 419.569 4.722 50 0 HJAAMN COc1ccccc1[C@@H]1CC(c2ccc(C)cc2)=NN1C(=O)CN1CCCC[C@@H]1C ZINC000036345281 569143248 /nfs/dbraw/zinc/14/32/48/569143248.db2.gz ZXZVLPPWXGZTGL-CVDCTZTESA-N 0 1 405.542 4.556 50 0 HJAAMN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccccc2N2CCCC2)cc1 ZINC000170596698 569241806 /nfs/dbraw/zinc/24/18/06/569241806.db2.gz MUENPFGDQOVHMI-HSZRJFAPSA-N 0 1 407.558 4.851 50 0 HJAAMN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)O[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000170625411 569250086 /nfs/dbraw/zinc/25/00/86/569250086.db2.gz CSPYWYYLEDDBQA-ZUOKHONESA-N 0 1 409.873 4.785 50 0 HJAAMN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NC2CCCC2)CC1 ZINC000005043142 569255705 /nfs/dbraw/zinc/25/57/05/569255705.db2.gz ZKOGFPMURZSCNL-UHFFFAOYSA-N 0 1 401.938 4.574 50 0 HJAAMN O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c(O)c1-3)[C@@H](c1cccnc1)CC(=O)O2 ZINC000253413854 569366894 /nfs/dbraw/zinc/36/68/94/569366894.db2.gz VVWFFNXZRDYJPX-OAHLLOKOSA-N 0 1 419.820 4.655 50 0 biogenic HJAAMN COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1c(C)cc(C)cc1C ZINC000013358230 569411572 /nfs/dbraw/zinc/41/15/72/569411572.db2.gz FJKCVTVNWFHNFJ-UHFFFAOYSA-N 0 1 402.541 4.853 50 0 HJAAMN C[C@H](N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(F)cc1Cl ZINC000040071796 571152292 /nfs/dbraw/zinc/15/22/92/571152292.db2.gz YHHFJWJXAQXAGB-STQMWFEESA-N 0 1 403.885 4.505 50 0 HJAAMN CC(=O)c1oc2ccccc2c1NC(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000009365825 571251983 /nfs/dbraw/zinc/25/19/83/571251983.db2.gz MMJFTTOXGALLBT-UHFFFAOYSA-N 0 1 419.506 4.989 50 0 HJAAMN Cc1ccc(CN2CCN(c3cc(C)nc4c(-c5ccccc5)cnn43)CC2)c(C)c1 ZINC000002449759 132254812 /nfs/dbraw/zinc/25/48/12/132254812.db2.gz VMXZRPMIZIGXQX-UHFFFAOYSA-N 0 1 411.553 4.644 50 0 HJAAMN Cc1ccc(-c2ccc(CCC(=O)Nc3ccc(N4CCN(C)CC4)cc3)o2)cc1 ZINC000011615978 132348764 /nfs/dbraw/zinc/34/87/64/132348764.db2.gz KFVHPPFCRFBMMH-UHFFFAOYSA-N 0 1 403.526 4.578 50 0 HJAAMN Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COC2CCC(C(C)(C)C)CC2)CC1 ZINC000016663188 132464126 /nfs/dbraw/zinc/46/41/26/132464126.db2.gz WHFLODBISFQOFO-IRQNMHNUSA-N 0 1 423.041 4.753 50 0 HJAAMN CCCOc1c(Cl)cc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1Cl ZINC000032594014 520295489 /nfs/dbraw/zinc/29/54/89/520295489.db2.gz GKPRBRIJYNGOQK-QGZVFWFLSA-N 0 1 411.329 4.942 50 0 HJAAMN CCn1nc(C)c(-c2ccnc(N3CCC[C@H]3c3nc4cccc(C)c4[nH]3)n2)c1C ZINC000020600179 523621634 /nfs/dbraw/zinc/62/16/34/523621634.db2.gz UVWNNDIZBXMQJQ-IBGZPJMESA-N 0 1 401.518 4.503 50 0 HJAAMN CCc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCCCC2)cc1 ZINC000032622343 524049091 /nfs/dbraw/zinc/04/90/91/524049091.db2.gz HDWVIOOZUONRTC-QHCPKHFHSA-N 0 1 403.526 4.861 50 0 HJAAMN Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3)N3CCCCC3)no2)cc1C ZINC000032623537 525724290 /nfs/dbraw/zinc/72/42/90/525724290.db2.gz XAFTURFWBJKANO-QHCPKHFHSA-N 0 1 403.526 4.915 50 0 HJAAMN CCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001124643 557194376 /nfs/dbraw/zinc/19/43/76/557194376.db2.gz DEKIUGQFNJGLBO-UHFFFAOYSA-N 0 1 414.914 4.956 50 0 HJAAMN CCc1ccc(N(C(=O)C(C)C)C2CCN(Cc3cccc(OC)c3OC)CC2)cc1 ZINC000034683077 557385792 /nfs/dbraw/zinc/38/57/92/557385792.db2.gz AYGJONITVILLPU-UHFFFAOYSA-N 0 1 424.585 4.920 50 0 HJAAMN COc1ccc(C(=O)N(c2ccc(C)cc2)C2CCN(Cc3ccoc3)CC2)cc1 ZINC000034683298 557386088 /nfs/dbraw/zinc/38/60/88/557386088.db2.gz MZNAGHKLBGTUSL-UHFFFAOYSA-N 0 1 404.510 4.908 50 0 HJAAMN Fc1ccccc1COc1ccc(Br)cc1CNCc1ccncc1 ZINC000004661538 557577884 /nfs/dbraw/zinc/57/78/84/557577884.db2.gz IHIKNWOLLZSPSE-UHFFFAOYSA-N 0 1 401.279 4.852 50 0 HJAAMN Cc1nc(NC(=O)CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)sc1C ZINC000009328758 557837391 /nfs/dbraw/zinc/83/73/91/557837391.db2.gz DHYMJZPBKLLMDN-UHFFFAOYSA-N 0 1 414.343 4.583 50 0 HJAAMN CC(C)(C)C(=O)Nc1ccnn1C1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000011815681 558279317 /nfs/dbraw/zinc/27/93/17/558279317.db2.gz XMXWECDBYNCRRE-UHFFFAOYSA-N 0 1 408.468 4.724 50 0 HJAAMN CC(=O)c1cccc(CN2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)c1 ZINC000011817704 558280961 /nfs/dbraw/zinc/28/09/61/558280961.db2.gz YRLPVSZNSVYTCB-LJQANCHMSA-N 0 1 412.961 4.851 50 0 HJAAMN COc1ccccc1[C@H](CNC(=O)c1cc(-c2ccccc2)on1)N1CCC(C)CC1 ZINC000011905338 558295697 /nfs/dbraw/zinc/29/56/97/558295697.db2.gz ARHGKSMRRXZRQJ-QFIPXVFZSA-N 0 1 419.525 4.553 50 0 HJAAMN COC(=O)c1ccc(-c2nc(CN3CCC[C@H]3c3cccc(OC)c3)c(C)o2)cc1 ZINC000011932946 558297586 /nfs/dbraw/zinc/29/75/86/558297586.db2.gz UHKSZPKXMRMLQZ-QFIPXVFZSA-N 0 1 406.482 4.782 50 0 HJAAMN Cc1ccccc1-c1cn[nH]c1[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000012150886 558339027 /nfs/dbraw/zinc/33/90/27/558339027.db2.gz KSOAPYBACRNYQR-LJQANCHMSA-N 0 1 411.509 4.591 50 0 HJAAMN CCCCCc1ccc([C@@H](O)CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000020421565 558361958 /nfs/dbraw/zinc/36/19/58/558361958.db2.gz JGROZIFVYBSKPD-NRFANRHFSA-N 0 1 421.507 4.689 50 0 HJAAMN CN(C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)C1CCCCC1 ZINC000012320795 558382569 /nfs/dbraw/zinc/38/25/69/558382569.db2.gz ZFUCNLXLRVPNRS-UHFFFAOYSA-N 0 1 407.558 4.530 50 0 HJAAMN O=c1c(CNCc2ccc(F)cc2)cc2ccc(Cl)cc2n1Cc1ccccn1 ZINC000012455415 558417004 /nfs/dbraw/zinc/41/70/04/558417004.db2.gz LVNPIMMRSPKWDQ-UHFFFAOYSA-N 0 1 407.876 4.527 50 0 HJAAMN Cc1c(CN2CCC(O)(Cc3cc(-c4ccccc4)no3)CC2)[nH]c2ccc(F)cc12 ZINC000012575960 558430617 /nfs/dbraw/zinc/43/06/17/558430617.db2.gz ZFYNHACDEOKSKY-UHFFFAOYSA-N 0 1 419.500 4.840 50 0 HJAAMN O=C(Nc1nnc(SCc2ccccc2F)s1)c1cc(-c2cccs2)on1 ZINC000021524210 558440310 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O=C(CCCSc1nc(-c2ccccc2)n[nH]1)c1ccc(Br)cc1 ZINC000012619017 568872308 /nfs/dbraw/zinc/87/23/08/568872308.db2.gz AHMJJOLPWQAZLJ-UHFFFAOYSA-N 0 1 402.317 4.989 50 0 HJAAMN Cc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1 ZINC000003635592 568921543 /nfs/dbraw/zinc/92/15/43/568921543.db2.gz NJOKIBVRPPZRIW-UHFFFAOYSA-N 0 1 417.490 4.596 50 0 HJAAMN COc1ccc([C@@H](CNC(=O)c2cc(F)c(Cl)cc2Cl)N2CCCC2)cc1 ZINC000012739889 568926831 /nfs/dbraw/zinc/92/68/31/568926831.db2.gz RVAUQBAHZAJSKT-LJQANCHMSA-N 0 1 411.304 4.708 50 0 HJAAMN Cc1ccc2c(CN(Cc3ccccc3)C[C@H](O)c3ccsc3)cc(=O)oc2c1 ZINC000084208409 568944610 /nfs/dbraw/zinc/94/46/10/568944610.db2.gz UADYZFACHABWOK-QFIPXVFZSA-N 0 1 405.519 4.899 50 0 HJAAMN C[C@@H](NCc1ccc(OC(F)F)cc1OC(F)F)c1ccc(-n2ccnc2)cc1 ZINC000007984033 568964037 /nfs/dbraw/zinc/96/40/37/568964037.db2.gz VIZFQUDZMAXHQJ-CYBMUJFWSA-N 0 1 409.383 4.926 50 0 HJAAMN Cc1ccc(-c2nc(C(=O)N3CCN(C4CCCCC4)CC3)c3n2CCCCC3)cc1 ZINC000015677696 568966152 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HJAAMN COc1cc(CN[C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc(Cl)c1OC ZINC000012706527 558450369 /nfs/dbraw/zinc/45/03/69/558450369.db2.gz PDBZZXXRBAFDTJ-GFCCVEGCSA-N 0 1 421.875 4.980 50 0 HJAAMN Cc1ccc2sc(N(CCN(C)C)C(=O)CCSc3ccccc3)nc2c1C ZINC000004359389 558451409 /nfs/dbraw/zinc/45/14/09/558451409.db2.gz BBXHUNYCYUILHZ-UHFFFAOYSA-N 0 1 413.612 4.990 50 0 HJAAMN CC[C@@H](Sc1nc(Cc2ccc(O)cc2)c(C)[nH]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000023279062 558547307 /nfs/dbraw/zinc/54/73/07/558547307.db2.gz XOIGCDYQKRQSOE-YCRPNKLZSA-N 0 1 409.555 4.763 50 0 HJAAMN Cc1cc(NC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)n(-c2ccccc2)n1 ZINC000004492616 558609675 /nfs/dbraw/zinc/60/96/75/558609675.db2.gz IFCVCBBEHCHZFK-UHFFFAOYSA-N 0 1 417.538 4.534 50 0 HJAAMN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN[C@H](C)c2cccs2)cc1 ZINC000024985026 558624840 /nfs/dbraw/zinc/62/48/40/558624840.db2.gz CLALINAOLFWYEJ-VGSWGCGISA-N 0 1 419.550 4.785 50 0 HJAAMN CCOCc1c2ccccc2oc1C(=O)NC[C@H](c1ccccc1OC)N1CCCC1 ZINC000027569984 558674979 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CC(C)c1ccc([C@@H](C)NCCS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000012766445 568948595 /nfs/dbraw/zinc/94/85/95/568948595.db2.gz DOBCGNFEWLRTGM-OAHLLOKOSA-N 0 1 410.377 4.697 50 0 HJAAMN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000008161512 568979115 /nfs/dbraw/zinc/97/91/15/568979115.db2.gz APYAWANKTRHHCI-DEOSSOPVSA-N 0 1 407.558 4.851 50 0 HJAAMN Cc1ccc(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)s2)c(Cl)c1 ZINC000085664707 569006614 /nfs/dbraw/zinc/00/66/14/569006614.db2.gz JNZHSWSJLXUSDN-UHFFFAOYSA-N 0 1 421.853 4.920 50 0 HJAAMN O=C(Nc1cccc(Cl)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000006147001 569014609 /nfs/dbraw/zinc/01/46/09/569014609.db2.gz CPNFTRBAOMHASZ-UHFFFAOYSA-N 0 1 404.850 4.532 50 0 HJAAMN O=C(Nc1cccc(F)c1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000006214081 569033297 /nfs/dbraw/zinc/03/32/97/569033297.db2.gz IYHHDAZKIJBWJG-UHFFFAOYSA-N 0 1 404.850 4.532 50 0 HJAAMN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)Nc1cccc(Cl)c1C ZINC000035539414 569043677 /nfs/dbraw/zinc/04/36/77/569043677.db2.gz FPOXTXRDFUEYGV-UHFFFAOYSA-N 0 1 409.920 4.747 50 0 HJAAMN Cc1[nH]c2ccccc2c1[C@@H](c1ccncc1)N1CCN(c2ccccc2F)CC1 ZINC000054105761 569057518 /nfs/dbraw/zinc/05/75/18/569057518.db2.gz BQXJUUKVIURCHV-RUZDIDTESA-N 0 1 400.501 4.922 50 0 HJAAMN COc1ccccc1[C@@H](CNC(=O)c1oc2c(cccc2Cl)c1C)N1CCCC1 ZINC000006589299 569068047 /nfs/dbraw/zinc/06/80/47/569068047.db2.gz WROAXFQGXGPSAO-LJQANCHMSA-N 0 1 412.917 4.970 50 0 HJAAMN COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)Nc1cccc(Cl)c1C ZINC000064837386 569105159 /nfs/dbraw/zinc/10/51/59/569105159.db2.gz BXPIYDYVTJAOHN-UHFFFAOYSA-N 0 1 406.891 4.730 50 0 HJAAMN CCc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)cc1 ZINC000006753255 569110742 /nfs/dbraw/zinc/11/07/42/569110742.db2.gz HSXYSGBGZBCHEV-XMMPIXPASA-N 0 1 413.477 4.992 50 0 HJAAMN CCc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)cc1 ZINC000006753256 569110772 /nfs/dbraw/zinc/11/07/72/569110772.db2.gz HSXYSGBGZBCHEV-DEOSSOPVSA-N 0 1 413.477 4.992 50 0 HJAAMN COc1ccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@H](c3ccc(C)cc3C)C2)cc1 ZINC000036345763 569143341 /nfs/dbraw/zinc/14/33/41/569143341.db2.gz ASETVENFRXNHMC-VWLOTQADSA-N 0 1 419.569 4.722 50 0 HJAAMN COc1ccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@@H](c3ccc(C)cc3C)C2)cc1 ZINC000036345764 569143386 /nfs/dbraw/zinc/14/33/86/569143386.db2.gz ASETVENFRXNHMC-RUZDIDTESA-N 0 1 419.569 4.722 50 0 HJAAMN CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1ccc(C)cc1C ZINC000065060260 569164083 /nfs/dbraw/zinc/16/40/83/569164083.db2.gz DPDHRWMSVZTNDL-UHFFFAOYSA-N 0 1 402.541 4.935 50 0 HJAAMN CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1ccc(CC)cc1 ZINC000065060239 569164122 /nfs/dbraw/zinc/16/41/22/569164122.db2.gz ACJNTYDODSRHES-UHFFFAOYSA-N 0 1 402.541 4.880 50 0 HJAAMN COc1ccc(-c2cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)n[nH]2)cc1 ZINC000006942627 569186830 /nfs/dbraw/zinc/18/68/30/569186830.db2.gz WZDZAMPADCVDPM-UHFFFAOYSA-N 0 1 411.505 4.970 50 0 biogenic HJAAMN O=C(CN1CCC(c2nc3ccccc3s2)CC1)N1CC=C(c2ccccc2)CC1 ZINC000006978606 569192606 /nfs/dbraw/zinc/19/26/06/569192606.db2.gz GTRUHXNVWGHZDL-UHFFFAOYSA-N 0 1 417.578 4.792 50 0 HJAAMN COc1ccccc1[C@@H](CNC(=O)C1(c2ccc(F)cc2)CCCC1)N1CCCC1 ZINC000036755307 569226871 /nfs/dbraw/zinc/22/68/71/569226871.db2.gz PFQFOABMYIFFNT-JOCHJYFZSA-N 0 1 410.533 4.599 50 0 HJAAMN Cc1cccc(N(C2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000037560611 569307096 /nfs/dbraw/zinc/30/70/96/569307096.db2.gz CENLFJPTXQLZJD-UHFFFAOYSA-N 0 1 420.578 4.855 50 0 HJAAMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)n2)cc1 ZINC000007831927 569313954 /nfs/dbraw/zinc/31/39/54/569313954.db2.gz WHTXYUBZBVLBRA-MRXNPFEDSA-N 0 1 406.555 4.628 50 0 HJAAMN Clc1ccc2nc([C@H]3CCCN3c3nc(-c4ccccn4)nc4c3CCC4)[nH]c2c1 ZINC000079061772 569426436 /nfs/dbraw/zinc/42/64/36/569426436.db2.gz PRMRDTBDRZSMQG-HXUWFJFHSA-N 0 1 416.916 4.899 50 0 HJAAMN CCc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2cccnc2)cc1 ZINC000008606619 571092081 /nfs/dbraw/zinc/09/20/81/571092081.db2.gz HSWXXPDCRALNGK-VWLOTQADSA-N 0 1 424.504 4.794 50 0 HJAAMN COc1ccc([C@H](CNC(=O)COc2ccc(C(C)C)cc2)N2CCCCC2)cc1 ZINC000008916080 571151686 /nfs/dbraw/zinc/15/16/86/571151686.db2.gz JOBUFYUIYPDFAU-DEOSSOPVSA-N 0 1 410.558 4.541 50 0 HJAAMN COc1ccc(C)cc1NC(=O)[C@H](NC[C@@H]1COc2ccccc2C1)c1ccccc1 ZINC000009315075 571247343 /nfs/dbraw/zinc/24/73/43/571247343.db2.gz KRQPQYTZIDADTM-KBMIEXCESA-N 0 1 416.521 4.524 50 0 HJAAMN Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3Br)n[nH]2)cc1 ZINC000009885420 571289467 /nfs/dbraw/zinc/28/94/67/571289467.db2.gz NHPCDUKKNBQTDD-LBPRGKRZSA-N 0 1 417.332 4.662 50 0 HJAAMN CN1CCN(c2ccc(NC(=O)c3cccc4c(Br)cccc34)cc2)CC1 ZINC000002437608 132254618 /nfs/dbraw/zinc/25/46/18/132254618.db2.gz QITZEBGSRSRWFE-UHFFFAOYSA-N 0 1 424.342 4.606 50 0 HJAAMN Cc1cc(C)cc(NC(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)c1 ZINC000008595826 132330873 /nfs/dbraw/zinc/33/08/73/132330873.db2.gz FNILYFLGELSKIF-UHFFFAOYSA-N 0 1 403.530 4.556 50 0 HJAAMN CCN(CC)[C@H](CNC(=O)Cc1coc(-c2ccccc2)n1)c1ccccc1Cl ZINC000032317247 520862832 /nfs/dbraw/zinc/86/28/32/520862832.db2.gz VWJJUWCYDGTIIY-OAQYLSRUSA-N 0 1 411.933 4.737 50 0 HJAAMN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)c1 ZINC000032098247 524194695 /nfs/dbraw/zinc/19/46/95/524194695.db2.gz OSGVJNJDERHFCR-UHFFFAOYSA-N 0 1 404.875 4.603 50 0 HJAAMN Cc1ccc(Cl)cc1NC(=O)CSc1nc(Cc2ccc(Cl)cc2)n[nH]1 ZINC000032957359 524744804 /nfs/dbraw/zinc/74/48/04/524744804.db2.gz UCHRPKUHYQASFH-UHFFFAOYSA-N 0 1 407.326 4.742 50 0 HJAAMN O=S(=O)(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1cc(Cl)ccc1Cl ZINC000044892154 527252030 /nfs/dbraw/zinc/25/20/30/527252030.db2.gz FFTOAGUSWOPZDF-HNNXBMFYSA-N 0 1 412.298 4.522 50 0 HJAAMN CCN1CCN(c2cc(C(C)(C)C)nc3c(-c4ccc(Cl)cc4)c(C)nn32)CC1 ZINC000002408807 535743524 /nfs/dbraw/zinc/74/35/24/535743524.db2.gz VXZITUIDBWMNTO-UHFFFAOYSA-N 0 1 411.981 4.798 50 0 HJAAMN CN1CCN(c2ccc(NC(=O)COc3ccc(C4CCCCC4)cc3)cc2)CC1 ZINC000004983161 536423565 /nfs/dbraw/zinc/42/35/65/536423565.db2.gz JYUCFKIVLMVGIO-UHFFFAOYSA-N 0 1 407.558 4.504 50 0 HJAAMN CCN(CC)[C@@H]1C(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1Cl ZINC000001175039 557227239 /nfs/dbraw/zinc/22/72/39/557227239.db2.gz KUMGQXUTBQSYMW-ROUUACIJSA-N 0 1 407.739 4.897 50 0 HJAAMN CCOC(=O)C1C(=Nc2ccccc2)C=C(C)[C@@H](C(=O)OCC)[C@H]1c1ccccc1 ZINC000002250650 557331296 /nfs/dbraw/zinc/33/12/96/557331296.db2.gz OXNMVQWARCQQAH-FGZHOGPDSA-N 0 1 405.494 4.839 50 0 HJAAMN O=C(c1cccc(CN2CCC3(CC2)OCCO3)c1)c1ccc(Cl)c(Cl)c1 ZINC000002515254 557353955 /nfs/dbraw/zinc/35/39/55/557353955.db2.gz DRNBGLGDWKMOOX-UHFFFAOYSA-N 0 1 406.309 4.563 50 0 HJAAMN CCOC(=O)c1cc(S(=O)(=O)Nc2cc(C)cc(C)c2)c(Cl)cc1Cl ZINC000002726914 557371083 /nfs/dbraw/zinc/37/10/83/557371083.db2.gz VWUPXHXLCWCHQI-UHFFFAOYSA-N 0 1 402.299 4.588 50 0 HJAAMN Cc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccncc3)CC2)cc1F ZINC000034682728 557384563 /nfs/dbraw/zinc/38/45/63/557384563.db2.gz MGRWYGULSQNRLI-UHFFFAOYSA-N 0 1 403.501 4.841 50 0 HJAAMN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000010547065 557439989 /nfs/dbraw/zinc/43/99/89/557439989.db2.gz RTRWXSDYMKHGEM-OAHLLOKOSA-N 0 1 405.889 4.626 50 0 HJAAMN COc1cccc(-c2[nH]nc(CC(C)C)c2NC(=O)c2cc(OC)cc(OC)c2)c1 ZINC000034796196 557471787 /nfs/dbraw/zinc/47/17/87/557471787.db2.gz GADCSVYMHJENNH-UHFFFAOYSA-N 0 1 409.486 4.553 50 0 HJAAMN COc1ccc([C@@H]2CC(c3c(O)cc(C)oc3=O)=Nc3ccccc3S2)cc1O ZINC000005441639 557653775 /nfs/dbraw/zinc/65/37/75/557653775.db2.gz LPESUUTXLJEIKH-FQEVSTJZSA-N 0 1 409.463 4.726 50 0 HJAAMN COc1ccc(CSc2nc(-c3ccccc3OC)n[nH]2)cc1Br ZINC000005559215 557661929 /nfs/dbraw/zinc/66/19/29/557661929.db2.gz URXJWBWMYJRVNR-UHFFFAOYSA-N 0 1 406.305 4.544 50 0 HJAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2ccc(Cl)cc2)N1Cc1cccnc1 ZINC000006744574 557718871 /nfs/dbraw/zinc/71/88/71/557718871.db2.gz GYUZRVFNZZRHOE-QFIPXVFZSA-N 0 1 416.868 4.576 50 0 HJAAMN COc1ccc(F)cc1C(=O)[C@H]1CCCN(Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000011879488 558294136 /nfs/dbraw/zinc/29/41/36/558294136.db2.gz NXAOVKGAUNRCPI-SFHVURJKSA-N 0 1 421.472 4.512 50 0 HJAAMN COc1cccc(NC(=O)CCC2CC[NH+](Cc3ccc([O-])c(Cl)c3)CC2)c1 ZINC000012030121 558311015 /nfs/dbraw/zinc/31/10/15/558311015.db2.gz ZVOZAGQKCDMJCP-UHFFFAOYSA-N 0 1 402.922 4.685 50 0 HJAAMN Cc1ccc(C(C)C)c(OC[C@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)c1 ZINC000020109634 558334754 /nfs/dbraw/zinc/33/47/54/558334754.db2.gz PMXNLCRKKUUYNG-OAQYLSRUSA-N 0 1 416.993 4.642 50 0 HJAAMN Cc1cccn2c(CN(C)[C@@H]3CCCc4ccccc43)c(C(=O)N3CCCCC3)nc12 ZINC000012299727 558369547 /nfs/dbraw/zinc/36/95/47/558369547.db2.gz YRHBINDZPIYLBV-JOCHJYFZSA-N 0 1 416.569 4.778 50 0 HJAAMN COc1ccc(-n2ncc([C@H](C)NCc3cnn(-c4cccc(Cl)c4)c3)c2C)cc1 ZINC000020821141 558416789 /nfs/dbraw/zinc/41/67/89/558416789.db2.gz VZPZDLHSDDKWRX-INIZCTEOSA-N 0 1 421.932 4.879 50 0 HJAAMN COc1ccc(F)c(CN2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000012575094 558430651 /nfs/dbraw/zinc/43/06/51/558430651.db2.gz BKJWOFDKLWVZHY-UHFFFAOYSA-N 0 1 411.439 4.670 50 0 HJAAMN COc1cc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc(Cl)c1OC ZINC000012706523 558450250 /nfs/dbraw/zinc/45/02/50/558450250.db2.gz PDBZZXXRBAFDTJ-LBPRGKRZSA-N 0 1 421.875 4.980 50 0 HJAAMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000021805442 558450571 /nfs/dbraw/zinc/45/05/71/558450571.db2.gz QYTYDIKPEWFFOH-QGZVFWFLSA-N 0 1 401.919 4.623 50 0 HJAAMN COc1ccc(C(=O)Nc2ccnn2C2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000012835906 558478094 /nfs/dbraw/zinc/47/80/94/558478094.db2.gz ZPJUJLXNOBSZAR-UHFFFAOYSA-N 0 1 424.932 4.635 50 0 HJAAMN C[C@H](c1nc(C(C)(C)C)no1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022931161 558524477 /nfs/dbraw/zinc/52/44/77/558524477.db2.gz IDUJSLFQEFAEHP-LJQANCHMSA-N 0 1 404.558 4.835 50 0 HJAAMN CC(C)CN(CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cccc(F)c1 ZINC000004457277 558590068 /nfs/dbraw/zinc/59/00/68/558590068.db2.gz NNICBAXLGZEEDC-JOCHJYFZSA-N 0 1 404.526 4.697 50 0 HJAAMN CC(=O)Nc1ccc(NC(=O)[C@@H](C)N2CCC(CCc3ccc(C)cc3)CC2)cc1 ZINC000024925923 558620706 /nfs/dbraw/zinc/62/07/06/558620706.db2.gz GMZDVNYKJBYFNH-LJQANCHMSA-N 0 1 407.558 4.625 50 0 HJAAMN C[C@H](NCc1ccc(OCCO)cc1Br)c1cccc2ccccc21 ZINC000025105833 558631790 /nfs/dbraw/zinc/63/17/90/558631790.db2.gz IKOGHCAGSHKPTK-HNNXBMFYSA-N 0 1 400.316 4.824 50 0 HJAAMN Brc1csc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC000027223144 558671162 /nfs/dbraw/zinc/67/11/62/558671162.db2.gz NPMCEYLGVXRGQZ-GOSISDBHSA-N 0 1 402.361 4.923 50 0 HJAAMN O=C(CC[C@H]1CCCN(Cc2cc3c(cc2Cl)OCO3)C1)Nc1ccccc1F ZINC000014957402 558682823 /nfs/dbraw/zinc/68/28/23/558682823.db2.gz PWEFSZAOPHHTHV-OAHLLOKOSA-N 0 1 418.896 4.839 50 0 HJAAMN CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3ccc(C)cc3)CC2)n[nH]1 ZINC000072331273 558867509 /nfs/dbraw/zinc/86/75/09/558867509.db2.gz RQFCAJXXPVUXIO-UHFFFAOYSA-N 0 1 418.541 4.526 50 0 HJAAMN Cc1ccc(C[N@@H+](Cc2cc(=O)n3[n-]c(-c4cccc(C)c4)cc3n2)CC(C)C)cc1 ZINC000033126276 558884015 /nfs/dbraw/zinc/88/40/15/558884015.db2.gz SKBOMHAGPVVFPM-UHFFFAOYSA-N 0 1 414.553 4.965 50 0 HJAAMN C[C@H]1c2ccsc2CCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000021840615 558958572 /nfs/dbraw/zinc/95/85/72/558958572.db2.gz MYAXUNBLIGXAPQ-NSHDSACASA-N 0 1 402.317 4.660 50 0 HJAAMN Cc1ccc(NC(=O)N2CCN(c3cc(C)nc(NC4CCCCC4)n3)CC2)c(C)c1 ZINC000067601949 558987655 /nfs/dbraw/zinc/98/76/55/558987655.db2.gz LJJIUYXUDSLLHT-UHFFFAOYSA-N 0 1 422.577 4.501 50 0 HJAAMN COc1ccc(OC)c2c(C)cc(-c3cc4c(c(OC)c3)OCCN(C(C)C)C4)nc12 ZINC000067804974 558993207 /nfs/dbraw/zinc/99/32/07/558993207.db2.gz JJUQUZDJUWBCCH-UHFFFAOYSA-N 0 1 422.525 4.839 50 0 HJAAMN Cc1ccc2nc(SCc3noc(CCC(=O)Nc4ccc(C)c(C)c4)n3)[nH]c2c1 ZINC000033270982 559032619 /nfs/dbraw/zinc/03/26/19/559032619.db2.gz GXQGWJGSLUJYAD-UHFFFAOYSA-N 0 1 421.526 4.735 50 0 HJAAMN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1cccc(Cl)c1C ZINC000011613725 559114112 /nfs/dbraw/zinc/11/41/12/559114112.db2.gz WNZJAXNRGYJREJ-UHFFFAOYSA-N 0 1 404.713 4.529 50 0 HJAAMN COc1ccc(C)cc1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098073057 559126704 /nfs/dbraw/zinc/12/67/04/559126704.db2.gz CKKFBGLCJRKHTL-UHFFFAOYSA-N 0 1 424.238 4.586 50 0 HJAAMN COc1cccc(-c2cc(-c3ccc(C(=O)NCCOc4ccccc4)cc3)[nH]n2)c1 ZINC000023430308 559174401 /nfs/dbraw/zinc/17/44/01/559174401.db2.gz PNSDWUXTGQEVAR-UHFFFAOYSA-N 0 1 413.477 4.561 50 0 biogenic HJAAMN COc1cccc(-c2cc(-c3ccc(C(=O)NCc4cccc(F)c4F)cc3)[nH]n2)c1 ZINC000023444537 559175070 /nfs/dbraw/zinc/17/50/70/559175070.db2.gz CTLIYRIEEVFVCP-UHFFFAOYSA-N 0 1 419.431 4.961 50 0 HJAAMN COc1ccc(-c2[nH]c(-c3ccccc3)nc2SCC(=O)NCc2ccco2)cc1 ZINC000004927707 559208118 /nfs/dbraw/zinc/20/81/18/559208118.db2.gz RNDGOPVNGYGSIN-UHFFFAOYSA-N 0 1 419.506 4.754 50 0 HJAAMN COc1ccc([C@H](CNC(=O)c2cc(SC)ccc2Cl)N2CCCC2)cc1 ZINC000017911561 560730457 /nfs/dbraw/zinc/73/04/57/560730457.db2.gz QTPBQKJWKUNHNO-FQEVSTJZSA-N 0 1 404.963 4.637 50 0 HJAAMN C[C@@H](NC(=O)CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1)c1ccccc1 ZINC000009327999 560758627 /nfs/dbraw/zinc/75/86/27/560758627.db2.gz WHYWAMGJEUHDTL-LLVKDONJSA-N 0 1 407.326 4.748 50 0 HJAAMN COc1ccc([C@H](CNC(=O)CCc2nc3ccccc3s2)N2CCCCC2)cc1 ZINC000018020401 560770591 /nfs/dbraw/zinc/77/05/91/560770591.db2.gz KTOHACLJQZHHRS-NRFANRHFSA-N 0 1 423.582 4.581 50 0 HJAAMN C[C@@H]1CCC[C@@H](NC(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)[C@H]1C ZINC000104173323 560848983 /nfs/dbraw/zinc/84/89/83/560848983.db2.gz VTWXUZQHWIVEBV-SOLBZPMBSA-N 0 1 401.576 4.560 50 0 HJAAMN CCOc1ccc([C@@](O)(CCC(C)C)[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000020443831 568608086 /nfs/dbraw/zinc/60/80/86/568608086.db2.gz AGMZYQRFQBWYMA-UIOOFZCWSA-N 0 1 411.586 4.825 50 0 HJAAMN CC(C)[C@](O)(c1ccc(Cl)cc1)[C@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020868665 568647139 /nfs/dbraw/zinc/64/71/39/568647139.db2.gz RIKOXWFFIMHCII-YADHBBJMSA-N 0 1 408.369 4.953 50 0 HJAAMN C=C1C(=Nc2ccccc2Br)NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020900849 568649875 /nfs/dbraw/zinc/64/98/75/568649875.db2.gz ADHMKTYGIHUKLQ-UHFFFAOYSA-N 0 1 405.317 4.651 50 0 HJAAMN COc1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C(C)C)c(OC)c1 ZINC000020978869 568654295 /nfs/dbraw/zinc/65/42/95/568654295.db2.gz XXEQRFWCEWLCIU-UHFFFAOYSA-N 0 1 416.499 4.591 50 0 HJAAMN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cc(F)c(F)c(F)c2)S1 ZINC000096117219 568696727 /nfs/dbraw/zinc/69/67/27/568696727.db2.gz AKPHFWUMNXHGHS-BDJLRTHQSA-N 0 1 411.449 4.610 50 0 HJAAMN C[C@H](NCC(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(Cl)cc1 ZINC000057347642 568827348 /nfs/dbraw/zinc/82/73/48/568827348.db2.gz FSIUSELILABSLR-KRWDZBQOSA-N 0 1 421.928 4.559 50 0 HJAAMN CC(=O)c1cccc(NC(=O)[C@@H](NCCOc2ccc(C)cc2)c2ccccc2)c1 ZINC000057572269 568853979 /nfs/dbraw/zinc/85/39/79/568853979.db2.gz CKUYVLGQLFXKFQ-DEOSSOPVSA-N 0 1 402.494 4.546 50 0 HJAAMN C[C@@H]1CN(C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000012561501 568858564 /nfs/dbraw/zinc/85/85/64/568858564.db2.gz MUDFBKCKCRBPPG-VWKPWSFCSA-N 0 1 424.368 4.570 50 0 HJAAMN CSc1ccc2cc(CNCc3ccc4c(c3)OCO4)c(N3CCCC3)nc2c1 ZINC000299785818 568875410 /nfs/dbraw/zinc/87/54/10/568875410.db2.gz OFMCBZBTDCJSHE-UHFFFAOYSA-N 0 1 407.539 4.575 50 0 HJAAMN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000003377094 568891546 /nfs/dbraw/zinc/89/15/46/568891546.db2.gz XHFPKKXBCNXIPK-LLVKDONJSA-N 0 1 419.337 4.848 50 0 HJAAMN COc1ccc([C@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)N2CCCCC2)cc1 ZINC000003413667 568898608 /nfs/dbraw/zinc/89/86/08/568898608.db2.gz RZPDFPGUNAUJRZ-NRFANRHFSA-N 0 1 420.475 4.600 50 0 HJAAMN COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc4ccccc4c3)C[C@H]21 ZINC000001297299 568912987 /nfs/dbraw/zinc/91/29/87/568912987.db2.gz SXNQYGOFUPYBQF-HSZRJFAPSA-N 0 1 413.521 4.814 50 0 HJAAMN Cc1ccc(NS(=O)(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000001401708 568927407 /nfs/dbraw/zinc/92/74/07/568927407.db2.gz OFJFMONBGWTFJG-UHFFFAOYSA-N 0 1 415.824 4.654 50 0 HJAAMN CN(C)[C@H](CNC(=O)c1ccc(SCc2cscn2)cc1)c1cccs1 ZINC000012807335 568979757 /nfs/dbraw/zinc/97/97/57/568979757.db2.gz KBGIVUAYWVHJSO-QGZVFWFLSA-N 0 1 403.598 4.530 50 0 HJAAMN COc1ccc(NC(=O)c2ccc(CN(C)Cc3ccc(OC)c(OC)c3)cc2)cc1 ZINC000008316524 568990258 /nfs/dbraw/zinc/99/02/58/568990258.db2.gz SCKJXBJENDOZST-UHFFFAOYSA-N 0 1 420.509 4.597 50 0 HJAAMN Cc1nn(-c2ccc(C)cc2)c2c1C(=C(O)c1ccc(Br)cc1)CC(=O)N2 ZINC000035171026 569002147 /nfs/dbraw/zinc/00/21/47/569002147.db2.gz CVIFLMWFNDATCS-KRWDZBQOSA-N 0 1 424.298 4.560 50 0 HJAAMN Fc1ccc(-c2ccc(OCCN3CCN(Cc4ccccc4)CC3)cc2)c(F)c1 ZINC000045068800 569012982 /nfs/dbraw/zinc/01/29/82/569012982.db2.gz UXPHVKZFNDBLJC-UHFFFAOYSA-N 0 1 408.492 4.828 50 0 HJAAMN Cc1ccc2nc(CCc3ccc(NS(=O)(=O)c4cccc(C)c4)cc3)[nH]c2c1 ZINC000015870718 569017399 /nfs/dbraw/zinc/01/73/99/569017399.db2.gz ZQTWYHWXHYSCMF-UHFFFAOYSA-N 0 1 405.523 4.766 50 0 HJAAMN Cc1ccccc1N1O[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@H]1c1cccs1 ZINC000240122370 569054597 /nfs/dbraw/zinc/05/45/97/569054597.db2.gz VXIZPLTWUXWILF-ZCNNSNEGSA-N 0 1 424.909 4.761 50 0 HJAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000006464232 569057784 /nfs/dbraw/zinc/05/77/84/569057784.db2.gz HOZMZYDYMCGSAD-UHFFFAOYSA-N 0 1 409.298 4.518 50 0 HJAAMN CN(C)Cc1ccnc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)c1 ZINC000089319457 569058465 /nfs/dbraw/zinc/05/84/65/569058465.db2.gz PZGXCNBONQSAAO-UHFFFAOYSA-N 0 1 400.457 4.750 50 0 HJAAMN CCc1nc2sc([C@H](c3cccc(Cl)c3)[N@@H+]3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000016690099 569070656 /nfs/dbraw/zinc/07/06/56/569070656.db2.gz KNQFVMFTIGUJOB-AHIWAGSCSA-N 0 1 404.967 4.780 50 0 HJAAMN CCc1nc2sc([C@@H](c3ccc(C(F)(F)F)cc3)[N@H+]3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000016690049 569070659 /nfs/dbraw/zinc/07/06/59/569070659.db2.gz FBNLDIQREBTOAP-MLGOLLRUSA-N 0 1 424.492 4.899 50 0 HJAAMN CC(C)Sc1nc2ccc(NS(=O)(=O)c3cc(F)cc(F)c3)cc2s1 ZINC000064747846 569089122 /nfs/dbraw/zinc/08/91/22/569089122.db2.gz VFUYICGWTQQDFW-UHFFFAOYSA-N 0 1 400.497 4.876 50 0 HJAAMN CCC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146319 569098676 /nfs/dbraw/zinc/09/86/76/569098676.db2.gz FDNWKKVCEHPPHI-RTWAWAEBSA-N 0 1 404.913 4.635 50 0 HJAAMN COc1ccc(NS(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)cc1Cl ZINC000064845569 569108127 /nfs/dbraw/zinc/10/81/27/569108127.db2.gz VATILIGLFWYORM-UHFFFAOYSA-N 0 1 412.920 4.791 50 0 HJAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)CC ZINC000036302191 569128719 /nfs/dbraw/zinc/12/87/19/569128719.db2.gz JNLLBWRKAQCARS-NRFANRHFSA-N 0 1 423.557 4.965 50 0 HJAAMN CC1CCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccccc2Cl)CC1 ZINC000036340953 569141816 /nfs/dbraw/zinc/14/18/16/569141816.db2.gz KYRJXZAVJQDEJR-JOCHJYFZSA-N 0 1 413.924 4.889 50 0 HJAAMN COc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)CN2CCCC[C@@H]2C)cc1 ZINC000036345098 569143012 /nfs/dbraw/zinc/14/30/12/569143012.db2.gz IXQJZOXVNQLRDG-YADARESESA-N 0 1 405.542 4.556 50 0 HJAAMN COc1cccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCC(C)CC2)c1 ZINC000036345689 569143419 /nfs/dbraw/zinc/14/34/19/569143419.db2.gz NKGAXBBPTQANGQ-VWLOTQADSA-N 0 1 419.569 4.722 50 0 HJAAMN O=C(CN1CCC[C@@H]1c1cccs1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000007363008 569235420 /nfs/dbraw/zinc/23/54/20/569235420.db2.gz WKPACDBSEVPPRR-SJLPKXTDSA-N 0 1 411.596 4.901 50 0 HJAAMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(N4CCCCCC4)cc3)n2)cc1 ZINC000007485659 569240808 /nfs/dbraw/zinc/24/08/08/569240808.db2.gz WHNCGXSTBPESKI-UHFFFAOYSA-N 0 1 421.570 4.891 50 0 HJAAMN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc(SCc2ccccc2)n[nH]1 ZINC000009910143 569251764 /nfs/dbraw/zinc/25/17/64/569251764.db2.gz ZJQWIXXUQQOGHK-UHFFFAOYSA-N 0 1 402.907 4.547 50 0 HJAAMN CC[C@H](NC(=O)CSc1nc2ccc(OC)cc2[nH]1)C12CC3CC(CC(C3)C1)C2 ZINC000252479660 569288874 /nfs/dbraw/zinc/28/88/74/569288874.db2.gz BJKCESYSEYHAOV-PBVNKPPYSA-N 0 1 413.587 4.775 50 0 HJAAMN C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007607201 569295228 /nfs/dbraw/zinc/29/52/28/569295228.db2.gz WXXWORPXSCHHCB-WMZOPIPTSA-N 0 1 411.546 4.662 50 0 HJAAMN COc1ccc(OC)c(CSc2nc(-c3ccccc3Br)n[nH]2)c1 ZINC000007695764 569300986 /nfs/dbraw/zinc/30/09/86/569300986.db2.gz DKSONHUCPJEBID-UHFFFAOYSA-N 0 1 406.305 4.544 50 0 HJAAMN Cc1cc(C)c(S(=O)(=O)Nc2ccc(Br)c3cccnc23)c(C)c1 ZINC000003832600 569321464 /nfs/dbraw/zinc/32/14/64/569321464.db2.gz NCGJQVHKJAFDRS-UHFFFAOYSA-N 0 1 405.317 4.723 50 0 HJAAMN O=C1C[C@@H](c2ccco2)c2c(cc(=O)c3c(O)c(-c4ccc(Cl)cc4)coc2-3)O1 ZINC000253401265 569365525 /nfs/dbraw/zinc/36/55/25/569365525.db2.gz FMOCDLDLGLLDDV-ZDUSSCGKSA-N 0 1 408.793 4.853 50 0 biogenic HJAAMN COc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)[nH]c2c1 ZINC000008706981 571103958 /nfs/dbraw/zinc/10/39/58/571103958.db2.gz XYBIFOIRGURNGV-UHFFFAOYSA-N 0 1 415.824 4.975 50 0 HJAAMN COC(=O)c1sccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000008782229 571119472 /nfs/dbraw/zinc/11/94/72/571119472.db2.gz AZRKMUAILHEWRW-UHFFFAOYSA-N 0 1 423.899 4.781 50 0 HJAAMN COc1ccc([C@H](CNC(=O)c2oc3ccc(F)cc3c2C)N2CCCCC2)cc1 ZINC000008867633 571129309 /nfs/dbraw/zinc/12/93/09/571129309.db2.gz RLJPNDWEDCVUCZ-NRFANRHFSA-N 0 1 410.489 4.846 50 0 HJAAMN CN1c2ccccc2Oc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2C1=O ZINC000008961024 571189423 /nfs/dbraw/zinc/18/94/23/571189423.db2.gz MMDRVIGNXUMVAI-UHFFFAOYSA-N 0 1 414.870 4.523 50 0 HJAAMN Cc1ccc2c(c1)NC(=O)c1cc(NS(=O)(=O)c3ccccc3Cl)ccc1O2 ZINC000008961273 571189852 /nfs/dbraw/zinc/18/98/52/571189852.db2.gz XNDVCYHZFDJTRL-UHFFFAOYSA-N 0 1 414.870 4.807 50 0 HJAAMN COc1cc(C(=O)Nc2ccc(C)cc2-c2nnc(C3CC3)[nH]2)cc(Cl)c1OC ZINC000040150962 571199069 /nfs/dbraw/zinc/19/90/69/571199069.db2.gz NSXLVQFMRORFIU-UHFFFAOYSA-N 0 1 412.877 4.580 50 0 HJAAMN COc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)CN2CCCC[C@H]2C)cc1 ZINC000245279580 571222388 /nfs/dbraw/zinc/22/23/88/571222388.db2.gz IXQJZOXVNQLRDG-DVECYGJZSA-N 0 1 405.542 4.556 50 0 HJAAMN COc1ccc2nc(SCc3csc(CC(=O)Nc4ccc(C)cc4)n3)[nH]c2c1 ZINC000009515962 571265032 /nfs/dbraw/zinc/26/50/32/571265032.db2.gz KMBZJSMWBVWPHN-UHFFFAOYSA-N 0 1 424.551 4.810 50 0 HJAAMN CCn1c(CN2CCCCCC2)nc2cc(NC(=O)c3ccc(OC)cc3)ccc21 ZINC000009942073 571291027 /nfs/dbraw/zinc/29/10/27/571291027.db2.gz VWWQJOKEYCSTQF-UHFFFAOYSA-N 0 1 406.530 4.693 50 0 HJAAMN COc1cccc(N(C(=O)C2COc3ccccc3O2)c2nc3ccccc3s2)c1 ZINC000009949731 571291362 /nfs/dbraw/zinc/29/13/62/571291362.db2.gz LATXSIVTJHLEDU-FQEVSTJZSA-N 0 1 418.474 4.810 50 0 HJAAMN CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1N1CCN(Cc2ccccc2)CC1 ZINC000000645749 132229927 /nfs/dbraw/zinc/22/99/27/132229927.db2.gz ODERMLDHDHJZLH-UHFFFAOYSA-N 0 1 423.944 4.696 50 0 HJAAMN COc1ccc(CN2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)cc1 ZINC000001467911 132246743 /nfs/dbraw/zinc/24/67/43/132246743.db2.gz YPCKEGGXBAKRNO-UHFFFAOYSA-N 0 1 416.550 4.689 50 0 HJAAMN CC[C@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc(OC)cc1 ZINC000044936289 522364633 /nfs/dbraw/zinc/36/46/33/522364633.db2.gz TXCWTIAZVWIAFZ-QFIPXVFZSA-N 0 1 400.950 4.828 50 0 HJAAMN CCc1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCCCC2)cc1 ZINC000032622366 524029492 /nfs/dbraw/zinc/02/94/92/524029492.db2.gz RXZRCNKCDJHBHK-HXUWFJFHSA-N 0 1 409.555 4.923 50 0 HJAAMN CCN(CC)[C@H]1C(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1Cl ZINC000001175042 557227227 /nfs/dbraw/zinc/22/72/27/557227227.db2.gz KUMGQXUTBQSYMW-QZTJIDSGSA-N 0 1 407.739 4.897 50 0 HJAAMN O=C(c1cccc(CN2CCC3(CC2)OCCO3)c1)c1cc(Cl)ccc1Cl ZINC000002515253 557354037 /nfs/dbraw/zinc/35/40/37/557354037.db2.gz 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/nfs/dbraw/zinc/41/15/10/569411510.db2.gz WKATXTZDALZDMA-UHFFFAOYSA-N 0 1 408.932 4.890 50 0 HJAAMN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(C(C)C)cc1)N(CCN(C)C)C3=O ZINC000008549476 571078051 /nfs/dbraw/zinc/07/80/51/571078051.db2.gz RFBHQTZSPPEGKN-QHCPKHFHSA-N 0 1 418.537 4.640 50 0 HJAAMN COc1ccc(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)cc1OC ZINC000040146859 571196707 /nfs/dbraw/zinc/19/67/07/571196707.db2.gz LHRODNORONLRKN-UHFFFAOYSA-N 0 1 409.392 4.778 50 0 HJAAMN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc4ccccc43)[C@H]2C(=O)N1c1ccccc1 ZINC000009075723 571218763 /nfs/dbraw/zinc/21/87/63/571218763.db2.gz VXFPKSQCUVGEPQ-UBFVSLLYSA-N 0 1 420.468 4.891 50 0 HJAAMN Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@@H](c2ccccc2)N(Cc2cccnc2)C3=O)c1 ZINC000009111038 571223249 /nfs/dbraw/zinc/22/32/49/571223249.db2.gz ZWRCQWRYRKPGEW-HSZRJFAPSA-N 0 1 410.477 4.540 50 0 HJAAMN CCN(Cc1ccc(Br)s1)C(=O)CSc1nc2ccc(C)cc2[nH]1 ZINC000009633717 571275018 /nfs/dbraw/zinc/27/50/18/571275018.db2.gz CAIQVMJULWEAQW-UHFFFAOYSA-N 0 1 424.389 4.836 50 0 HJAAMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](c3cccs3)c3ccccc3)n2)cc1 ZINC000009665347 571278067 /nfs/dbraw/zinc/27/80/67/571278067.db2.gz SZPIFKOLICRFFB-HXUWFJFHSA-N 0 1 420.563 4.840 50 0 HJAAMN