smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)Oc1cccc(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)c1 ZINC000012186621 519783000 /nfs/dbraw/zinc/78/30/00/519783000.db2.gz HSQZKPPIOVGHIF-UHFFFAOYSA-N 0 3 439.581 3.786 40 0 IHABHN CCOC(=O)Oc1ccc([C@@H](CNC(C)C)OC(=O)OCC)cc1OC(=O)OCC ZINC000005830544 556067337 /nfs/dbraw/zinc/06/73/37/556067337.db2.gz MKFWHCDCVRHFGH-QGZVFWFLSA-N 0 3 427.450 3.969 40 0 IHABHN COc1ccccc1N(C[C@@H](O)CN1[C@H](C)CCC[C@H]1C)S(=O)(=O)c1ccccc1 ZINC000008754142 556210680 /nfs/dbraw/zinc/21/06/80/556210680.db2.gz KEEHFUFQYWCYRH-AQNXPRMDSA-N 0 3 432.586 3.514 40 0 IHABHN CC(=O)N[C@H](C)c1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1 ZINC000036719504 556309623 /nfs/dbraw/zinc/30/96/23/556309623.db2.gz MERJWJWNRNHRHK-PUZWTLIVSA-N 0 3 438.568 3.576 40 0 IHABHN COCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030939977 556515951 /nfs/dbraw/zinc/51/59/51/556515951.db2.gz LOLBPKNBWWNLDK-SFHVURJKSA-N 0 3 429.948 3.567 40 0 IHABHN O=C(NCc1ccc(CN2CCOCC2)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038830739 556621796 /nfs/dbraw/zinc/62/17/96/556621796.db2.gz IVGZEJHKQXDHTA-HSZRJFAPSA-N 0 3 442.003 3.701 40 0 IHABHN CC[C@@H](NC(=O)C1CCN(Cc2cccc(C)c2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856974 556672924 /nfs/dbraw/zinc/67/29/24/556672924.db2.gz PUQBQIIFOLBSTA-HSZRJFAPSA-N 0 3 428.598 3.878 40 0 IHABHN Cc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCCCN3CCCC3=O)cc2)c(C)c1 ZINC000257231728 556709374 /nfs/dbraw/zinc/70/93/74/556709374.db2.gz GHYQEXOZEBUGPM-QHCPKHFHSA-N 0 3 440.584 3.566 40 0 IHABHN COc1ccc(C2(C(=O)N3CC[C@@](O)(CN(C)Cc4ccc(F)cc4)C3)CCCC2)cc1 ZINC000257264396 556713015 /nfs/dbraw/zinc/71/30/15/556713015.db2.gz LUEDHGXBTTUZQQ-RUZDIDTESA-N 0 3 440.559 3.742 40 0 IHABHN COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c1 ZINC000013749929 556725581 /nfs/dbraw/zinc/72/55/81/556725581.db2.gz VQCOQBCTHBUVPH-VJBWXMMDSA-N 0 3 448.450 3.894 40 0 IHABHN CCOc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3ccc(F)cc3)cc2c1 ZINC000000880698 556732534 /nfs/dbraw/zinc/73/25/34/556732534.db2.gz VINNGOWITGLUNO-UHFFFAOYSA-N 0 3 442.560 3.827 40 0 IHABHN COc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3ccc(C)cc3C)cc2c1 ZINC000000885103 556736359 /nfs/dbraw/zinc/73/63/59/556736359.db2.gz TYDSBLTYHPPFJW-UHFFFAOYSA-N 0 3 438.597 3.914 40 0 IHABHN O=C(CN1CCC[C@@H](c2ccccc2)C1)N1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1 ZINC000019369947 556747341 /nfs/dbraw/zinc/74/73/41/556747341.db2.gz YTBFUVQUVUBMDQ-HSZRJFAPSA-N 0 3 448.611 3.555 40 0 IHABHN CCC(=O)N1CCCc2cc([C@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 ZINC000019498874 556770621 /nfs/dbraw/zinc/77/06/21/556770621.db2.gz QEFGDCQQAUQIJU-HSZRJFAPSA-N 0 3 426.532 3.532 40 0 IHABHN CCc1cc(CNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)c2ccc(F)cc2)on1 ZINC000019522804 556780151 /nfs/dbraw/zinc/78/01/51/556780151.db2.gz ULMSJQQUTLDXQU-DHIUTWEWSA-N 0 3 435.499 3.623 40 0 IHABHN CCOC(=O)c1cnn2c1N[C@@H](C1CCN(Cc3cccnc3)CC1)C[C@H]2C(F)(F)F ZINC000019530978 556791587 /nfs/dbraw/zinc/79/15/87/556791587.db2.gz QEYXYSFWZQGGFW-MSOLQXFVSA-N 0 3 437.466 3.655 40 0 IHABHN CCOc1ccc(C[N@@H+]2C[C@@H](c3ccc(OC)cc3)[C@H](c3cc(=O)[n-]c(C)n3)C2)cc1OC ZINC000019533934 556793545 /nfs/dbraw/zinc/79/35/45/556793545.db2.gz RBHKHJCXNVCXBJ-FCHUYYIVSA-N 0 3 449.551 3.877 40 0 IHABHN CCOc1ccc(C[N@H+]2C[C@@H](c3ccc(OC)cc3)[C@H](c3cc(=O)[n-]c(C)n3)C2)cc1OC ZINC000019533934 556793549 /nfs/dbraw/zinc/79/35/49/556793549.db2.gz RBHKHJCXNVCXBJ-FCHUYYIVSA-N 0 3 449.551 3.877 40 0 IHABHN C[NH+]1CCC(c2nc([C@H]3CCCN(C(=O)c4csc5c4CCCC5)C3)cc(=O)[n-]2)CC1 ZINC000019588226 556823924 /nfs/dbraw/zinc/82/39/24/556823924.db2.gz DCFLIJCRVQOHIW-KRWDZBQOSA-N 0 3 440.613 3.952 40 0 IHABHN COc1cc(CN2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)cc(OC)c1 ZINC000019595100 556830701 /nfs/dbraw/zinc/83/07/01/556830701.db2.gz UTRJYKDWDFDSKO-IBGZPJMESA-N 0 3 448.571 3.864 40 0 IHABHN Cc1ccc2cc(CN(CCN(C)C)C(=S)NCCc3ccccc3)c(=O)[nH]c2c1C ZINC000006410183 556835393 /nfs/dbraw/zinc/83/53/93/556835393.db2.gz ONFBDJIOMIBKMO-UHFFFAOYSA-N 0 3 436.625 3.626 40 0 IHABHN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)ccc1O ZINC000006576907 556837519 /nfs/dbraw/zinc/83/75/19/556837519.db2.gz KGEQGIAXPBGPBH-FDFHNCONSA-N 0 3 434.423 3.591 40 0 IHABHN O=C1N[C@@]2(COC3(C2)CCN(Cc2ccc4nccnc4c2)CC3)Nc2ccc(Cl)cc21 ZINC000072325626 556902969 /nfs/dbraw/zinc/90/29/69/556902969.db2.gz RODAHFAHKWKTII-DEOSSOPVSA-N 0 3 449.942 3.590 40 0 IHABHN COc1cccc(-c2noc([C@@H]3CCN(Cc4ccc(OC)c(OC)c4OC)C3)n2)c1 ZINC000072369911 556933750 /nfs/dbraw/zinc/93/37/50/556933750.db2.gz ZNXDPSAWPMPMEV-QGZVFWFLSA-N 0 3 425.485 3.761 40 0 IHABHN COc1cccc(-c2noc([C@@H]3CCN(Cc4cc(OC)c(OC)c(OC)c4)C3)n2)c1 ZINC000072369875 556933764 /nfs/dbraw/zinc/93/37/64/556933764.db2.gz ZSVVMOUBWZUQNN-QGZVFWFLSA-N 0 3 425.485 3.761 40 0 IHABHN COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1Cc1cn(C)nc1C ZINC000072370355 556934695 /nfs/dbraw/zinc/93/46/95/556934695.db2.gz KMCOWUWYSJCHCV-GOSISDBHSA-N 0 3 426.586 3.527 40 0 IHABHN Cc1ncc(CN2CCCC[C@@H]2Cc2c3ccccc3sc2C(=O)NCCO)s1 ZINC000072370503 556934975 /nfs/dbraw/zinc/93/49/75/556934975.db2.gz QKYWPLRIIPVFMT-MRXNPFEDSA-N 0 3 429.611 3.986 40 0 IHABHN CN(C)c1ncc(CN2CC[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)cn1 ZINC000072371489 556938969 /nfs/dbraw/zinc/93/89/69/556938969.db2.gz ZSLKTMZKTNDKHY-KRWDZBQOSA-N 0 3 426.952 3.530 40 0 IHABHN CN(C)c1ncc(CN2CC[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cn1 ZINC000072371489 556938971 /nfs/dbraw/zinc/93/89/71/556938971.db2.gz ZSLKTMZKTNDKHY-KRWDZBQOSA-N 0 3 426.952 3.530 40 0 IHABHN Cc1cc(C(=O)NC2CCN(CC3(c4ccc(Cl)cc4)CCC3)CC2)c(=O)[nH]c1C ZINC000072393398 556964416 /nfs/dbraw/zinc/96/44/16/556964416.db2.gz CDKXLIZQHZPQHU-UHFFFAOYSA-N 0 3 427.976 3.961 40 0 IHABHN O=C(N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1)C1(F)CCC1 ZINC000585106387 557039963 /nfs/dbraw/zinc/03/99/63/557039963.db2.gz TVGARQTXLSTPJQ-UHFFFAOYSA-N 0 3 438.547 3.748 40 0 IHABHN CC(=O)Nc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000102763569 557132651 /nfs/dbraw/zinc/13/26/51/557132651.db2.gz IYRVNKAGCDPRBN-XPWALMASSA-N 0 3 445.450 3.835 40 0 IHABHN CC1(C(=O)N2CCOC[C@H](Cc3cccn4nccc34)C2)CCN(Cc2ccccc2)CC1 ZINC000585262086 557200517 /nfs/dbraw/zinc/20/05/17/557200517.db2.gz SZBJUQLWVQCCEC-HSZRJFAPSA-N 0 3 446.595 3.654 40 0 IHABHN CCOc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(C3CCCC3)CC2)cc1 ZINC000022929165 557277431 /nfs/dbraw/zinc/27/74/31/557277431.db2.gz MIJDAPWXFJNEBS-VWLOTQADSA-N 0 3 446.599 3.770 40 0 IHABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1 ZINC000225755185 557773430 /nfs/dbraw/zinc/77/34/30/557773430.db2.gz PHCYKDNDBHQCIR-KRWDZBQOSA-N 0 3 441.663 3.936 40 0 IHABHN CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccc(OCCN(C)C)cc2)n1 ZINC000257199584 568664882 /nfs/dbraw/zinc/66/48/82/568664882.db2.gz AAAHWCWPZPSPIW-QFIPXVFZSA-N 0 3 433.556 3.747 40 0 IHABHN O=C(COc1ccc(CN2CCCC2)cc1)N1CCC[C@@H]1c1cccc(-n2ccnc2)n1 ZINC000257213312 568671290 /nfs/dbraw/zinc/67/12/90/568671290.db2.gz CHAPMGALXKBUIE-HSZRJFAPSA-N 0 3 431.540 3.606 40 0 IHABHN COc1ccc(Nc2cc(C)nc([C@H]3CCN(S(=O)(=O)c4c(C)n[nH]c4C)C3)c2)cc1 ZINC000257265302 568695613 /nfs/dbraw/zinc/69/56/13/568695613.db2.gz LYCLMTJOWAHYAI-KRWDZBQOSA-N 0 3 441.557 3.660 40 0 IHABHN CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1CCCC(=O)Nc1ncc[nH]1 ZINC000257266468 568695955 /nfs/dbraw/zinc/69/59/55/568695955.db2.gz MDDYHGZCNOFACM-MOPGFXCFSA-N 0 3 427.549 3.544 40 0 IHABHN Cc1nc2cc([C@H]3CCN(Cc4ccncc4)C3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257290170 568706692 /nfs/dbraw/zinc/70/66/92/568706692.db2.gz QBWIQBMLJFXCPC-FQEVSTJZSA-N 0 3 434.588 3.578 40 0 IHABHN Cc1cccc(Nc2cc(C)nc(C3CCN(C(=O)[C@@H](C)CN4CCOCC4)CC3)c2)n1 ZINC000257292124 568707661 /nfs/dbraw/zinc/70/76/61/568707661.db2.gz QKCRUUDQUWXDCI-SFHVURJKSA-N 0 3 437.588 3.511 40 0 IHABHN COc1ccc(OC)c(-c2n[nH]c(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCCC[C@H]5N(C)C4)c2C)c1 ZINC000257326191 568722727 /nfs/dbraw/zinc/72/27/27/568722727.db2.gz WWFFHUWQONAVSZ-DTHKZBPFSA-N 0 3 438.572 3.880 40 0 IHABHN Cc1ccc(N2C[C@]3(CCCN(Cc4ccnc(N5CCCCC5)n4)CC3)OCC2=O)cc1 ZINC000257328245 568723714 /nfs/dbraw/zinc/72/37/14/568723714.db2.gz XEUXHLCCHXQMHV-AREMUKBSSA-N 0 3 449.599 3.563 40 0 IHABHN O=C1N(Cc2ccsc2)CCO[C@]12CN(Cc1ccc(F)cc1)C[C@H]2c1cccnc1 ZINC000306124901 568763425 /nfs/dbraw/zinc/76/34/25/568763425.db2.gz CBVLAKFNIALMSF-UPVQGACJSA-N 0 3 437.540 3.679 40 0 IHABHN COc1ccc(CN2CCO[C@@]3(CN(Cc4cccs4)C[C@H]3c3cccnc3)C2=O)cc1 ZINC000306141388 568772186 /nfs/dbraw/zinc/77/21/86/568772186.db2.gz VUEBYPPTLUMWSP-UKILVPOCSA-N 0 3 449.576 3.549 40 0 IHABHN O=C1N(Cc2ccsc2)CCO[C@@]12CN(Cc1cccs1)C[C@@H]2c1cccnc1 ZINC000306142184 568772694 /nfs/dbraw/zinc/77/26/94/568772694.db2.gz WSFJZCVPOZAWBT-IFMALSPDSA-N 0 3 425.579 3.602 40 0 IHABHN Cc1nc(CN2CC[C@@]3(CN(Cc4ccco4)C[C@H]3c3cn(C(C)C)cn3)C2=O)cs1 ZINC000306145173 568774141 /nfs/dbraw/zinc/77/41/41/568774141.db2.gz ZZYUBXUSCVRKCT-REWPJTCUSA-N 0 3 439.585 3.840 40 0 IHABHN Cc1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCN(C)C)n2)c1 ZINC000329033753 568809954 /nfs/dbraw/zinc/80/99/54/568809954.db2.gz QVQYLNQIUYYNEC-UHFFFAOYSA-N 0 3 445.489 3.780 40 0 IHABHN O=C(c1cccs1)N1CCc2nc([C@H]3CCC[N@H+](C[C@@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000247958416 569206665 /nfs/dbraw/zinc/20/66/65/569206665.db2.gz WKAOEZGAOOTWFQ-MSOLQXFVSA-N 0 3 438.597 3.978 40 0 IHABHN O=C(c1cccs1)N1CCc2nc([C@H]3CCC[N@@H+](C[C@@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000247958416 569206666 /nfs/dbraw/zinc/20/66/66/569206666.db2.gz WKAOEZGAOOTWFQ-MSOLQXFVSA-N 0 3 438.597 3.978 40 0 IHABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)c1 ZINC000009063070 569219763 /nfs/dbraw/zinc/21/97/63/569219763.db2.gz UYXGHJCFEDJGMP-UHFFFAOYSA-N 0 3 441.597 3.630 40 0 IHABHN CC(=O)N1c2ccc([C@H](O)CN3CCC[C@@](O)(c4ccc(F)cc4)CC3)cc2C[C@@H]1C ZINC000012188760 569224798 /nfs/dbraw/zinc/22/47/98/569224798.db2.gz JAKBBXJVHXQKSW-AJHZIAPWSA-N 0 3 426.532 3.530 40 0 IHABHN CCC(=O)N1CCc2cc([C@@H](O)CN3CCC[C@@](O)(c4ccc(F)cc4)CC3)ccc21 ZINC000012188763 569224899 /nfs/dbraw/zinc/22/48/99/569224899.db2.gz IKSYYFFPOGVAQM-ZCYQVOJMSA-N 0 3 426.532 3.532 40 0 IHABHN C[C@@H]1Cc2cc([C@@H](O)CN3CC=C(c4ccc(Cl)cc4)CC3)ccc2N1S(C)(=O)=O ZINC000019497847 569226779 /nfs/dbraw/zinc/22/67/79/569226779.db2.gz PYPHQEWBAGWPNV-MWTRTKDXSA-N 0 3 447.000 3.873 40 0 IHABHN COc1c(C)cccc1CN1CC[C@H](c2c3cccnc3sc2C(=O)N(C)CCO)C1 ZINC000019702609 569232156 /nfs/dbraw/zinc/23/21/56/569232156.db2.gz ABQNFVBNXQWZJZ-KRWDZBQOSA-N 0 3 439.581 3.667 40 0 IHABHN C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857072 569249297 /nfs/dbraw/zinc/24/92/97/569249297.db2.gz ZCLAYDYXWMPHNT-APWZRJJASA-N 0 3 434.989 3.833 40 0 IHABHN CN(Cc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNCc3ccccc3)O2)no1)Cc1ccccc1 ZINC000096296029 291367852 /nfs/dbraw/zinc/36/78/52/291367852.db2.gz HTKCHFUIANIGNL-AYRHNUGRSA-N 0 3 435.568 3.547 40 0 biogenic,in-vitro IHABHN CCc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)NCc3ccccc3)cc2c1 ZINC000012707194 524057685 /nfs/dbraw/zinc/05/76/85/524057685.db2.gz MKSPGFKDPYIERV-UHFFFAOYSA-N 0 3 432.568 3.898 40 0 IHABHN COc1ccccc1NC(=O)N(CCN1CCCC1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000012711390 524608657 /nfs/dbraw/zinc/60/86/57/524608657.db2.gz DGGQAIKIDZERAO-UHFFFAOYSA-N 0 3 434.540 3.975 40 0 IHABHN Fc1ccc(Cn2nnnc2[C@H](c2cccs2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000001328008 555690301 /nfs/dbraw/zinc/69/03/01/555690301.db2.gz BCZOUNIDJGNHQT-QFIPXVFZSA-N 0 3 440.592 3.962 40 0 IHABHN CCN(CC)CCOc1ccc(S(=O)(=O)c2ccc(OCCN(CC)CC)cc2)cc1 ZINC000004775303 556011210 /nfs/dbraw/zinc/01/12/10/556011210.db2.gz UNAPDFDZWFWYCH-UHFFFAOYSA-N 0 3 448.629 3.961 40 0 IHABHN COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)NCCN(C)C ZINC000005809697 556066688 /nfs/dbraw/zinc/06/66/88/556066688.db2.gz SNRLIWICKYZWNS-FPLPWBNLSA-N 0 3 430.501 3.541 40 0 IHABHN COCCCN1C(=O)C(CC(=O)Nc2cc(Cl)ccc2OC)n2c3ccccc3nc21 ZINC000032581139 556541889 /nfs/dbraw/zinc/54/18/89/556541889.db2.gz CPAHTPLXOBNYDA-GOSISDBHSA-N 0 3 442.903 3.651 40 0 IHABHN CCN(CC)c1ncc2c(cc(C3CCN(Cc4ccc(COC)o4)CC3)[nH]c2=O)n1 ZINC000019526556 556784964 /nfs/dbraw/zinc/78/49/64/556784964.db2.gz FVSFNXQTVBOPDN-UHFFFAOYSA-N 0 3 425.533 3.696 40 0 IHABHN CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2cc(C)ccc2OC)C3)c(OCC)n1 ZINC000019531631 556792031 /nfs/dbraw/zinc/79/20/31/556792031.db2.gz YRXVHRZAVPSTDA-WPUZRXDDSA-N 0 3 441.572 3.711 40 0 IHABHN CCOc1ccc(CN2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)cc1OC ZINC000019533754 556793570 /nfs/dbraw/zinc/79/35/70/556793570.db2.gz OLTSHLZUTBZMCX-UHFFFAOYSA-N 0 3 448.571 3.787 40 0 IHABHN Cc1cc(C(=O)CN2CCC(O)(CN3CCCC[C@H]3c3cccnc3)CC2)c(C)s1 ZINC000019567832 556807987 /nfs/dbraw/zinc/80/79/87/556807987.db2.gz BAGVEDPACJJYEH-QFIPXVFZSA-N 0 3 427.614 3.997 40 0 IHABHN COc1cccc(CN2CCC(c3nc(N(C)C)ncc3-c3cccc(C(N)=O)c3)CC2)c1 ZINC000019694157 556849435 /nfs/dbraw/zinc/84/94/35/556849435.db2.gz GDXGZJCNBGOGGC-UHFFFAOYSA-N 0 3 445.567 3.697 40 0 IHABHN Cn1cnc2ccc(NC(=O)c3ccc([C@H]4CCCN(Cc5ccccn5)C4)nc3)cc21 ZINC000019706075 556863849 /nfs/dbraw/zinc/86/38/49/556863849.db2.gz TYQQYBGBWATDIK-IBGZPJMESA-N 0 3 426.524 3.995 40 0 IHABHN CCOCc1cc(CN2CCC(c3nc(C)c4c(n3)N(C)C(=O)CC4)CC2)ccc1OC ZINC000019739278 556877267 /nfs/dbraw/zinc/87/72/67/556877267.db2.gz PEVAGPJCQUZQTM-UHFFFAOYSA-N 0 3 438.572 3.619 40 0 IHABHN CN(C)C(=O)c1ccc(C2CCN(Cc3ccc(OCc4ccccn4)cc3)CC2)nc1N ZINC000019765751 556910684 /nfs/dbraw/zinc/91/06/84/556910684.db2.gz RZLMRWLKJZXCTG-UHFFFAOYSA-N 0 3 445.567 3.719 40 0 IHABHN COc1ccc(-c2noc([C@H]3CCN(Cc4cc(OC)c(OC)c(OC)c4)C3)n2)cc1 ZINC000072369926 556933760 /nfs/dbraw/zinc/93/37/60/556933760.db2.gz OKENTAJTZLFSRX-KRWDZBQOSA-N 0 3 425.485 3.761 40 0 IHABHN COc1ccc(CN2CCC([C@@H]3CC=CCN(C)C3=O)CC2)cc1Cn1nc(C)cc1C ZINC000072371061 556937247 /nfs/dbraw/zinc/93/72/47/556937247.db2.gz QEKPVTZKWCKYNI-DEOSSOPVSA-N 0 3 436.600 3.803 40 0 IHABHN CN(C)c1ncc(CN2CC[C@@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)cn1 ZINC000072371492 556939165 /nfs/dbraw/zinc/93/91/65/556939165.db2.gz QOTQLVRQOLBHEB-QGZVFWFLSA-N 0 3 426.952 3.530 40 0 IHABHN CN(C)c1ncc(CN2CC[C@@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)cn1 ZINC000072371492 556939169 /nfs/dbraw/zinc/93/91/69/556939169.db2.gz QOTQLVRQOLBHEB-QGZVFWFLSA-N 0 3 426.952 3.530 40 0 IHABHN CN(C)c1ncc(CN2CC[C@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)cn1 ZINC000072371491 556939273 /nfs/dbraw/zinc/93/92/73/556939273.db2.gz QOTQLVRQOLBHEB-KRWDZBQOSA-N 0 3 426.952 3.530 40 0 IHABHN CN(C)c1ncc(CN2CC[C@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)cn1 ZINC000072371491 556939275 /nfs/dbraw/zinc/93/92/75/556939275.db2.gz QOTQLVRQOLBHEB-KRWDZBQOSA-N 0 3 426.952 3.530 40 0 IHABHN CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(Cc2c(C)nn(C)c2OC)C1 ZINC000072391310 556961824 /nfs/dbraw/zinc/96/18/24/556961824.db2.gz GLOGUGHLVIQDRN-HHHXNRCGSA-N 0 3 446.595 3.975 40 0 IHABHN COc1ccccc1OCCN(C)Cc1c2cccnc2[nH]c1[C@@H]1CCCN(C(C)=O)C1 ZINC000072395277 556966756 /nfs/dbraw/zinc/96/67/56/556966756.db2.gz TWICYWGBKGLKST-LJQANCHMSA-N 0 3 436.556 3.808 40 0 IHABHN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCN5CCC[C@@H]5C4)c3N2)cc1 ZINC000015931281 556985827 /nfs/dbraw/zinc/98/58/27/556985827.db2.gz GQFMRZHRGJJHOH-NZSAHSFTSA-N 0 3 433.478 3.772 40 0 IHABHN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)ccc1O ZINC000006576905 557121954 /nfs/dbraw/zinc/12/19/54/557121954.db2.gz KGEQGIAXPBGPBH-FKBYEOEOSA-N 0 3 434.423 3.591 40 0 IHABHN Cc1c(C)n(C[C@@H](O)CN(CCCO)Cc2ccc(OCCF)cc2)c2ccccc12 ZINC000585270486 557150720 /nfs/dbraw/zinc/15/07/20/557150720.db2.gz XMYZGNLQPZOESQ-QFIPXVFZSA-N 0 3 428.548 3.852 40 0 IHABHN CN(C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)C3CCCCC3)CC2)c2ccccc21 ZINC000096242226 557185904 /nfs/dbraw/zinc/18/59/04/557185904.db2.gz DURQDRQOTNLQPP-NRFANRHFSA-N 0 3 425.617 3.682 40 0 IHABHN Cc1cccc(CN2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CC4CC4)[C@H]3CC2)c1 ZINC000096263961 557191621 /nfs/dbraw/zinc/19/16/21/557191621.db2.gz LNPZWCAANOZOKV-VXKWHMMOSA-N 0 3 426.582 3.821 40 0 IHABHN CN1CCN(c2ccc(NC(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)cc2)CC1 ZINC000096627169 557203686 /nfs/dbraw/zinc/20/36/86/557203686.db2.gz FGPGKODDQSKTEO-FQEVSTJZSA-N 0 3 426.992 3.943 40 0 IHABHN COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000100673304 557269143 /nfs/dbraw/zinc/26/91/43/557269143.db2.gz APARKEVXSWZVIP-FSSWDIPSSA-N 0 3 446.434 3.663 40 0 IHABHN Fc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000022929117 557277597 /nfs/dbraw/zinc/27/75/97/557277597.db2.gz QMNIXPDBWAYAOR-DEOSSOPVSA-N 0 3 434.563 3.900 40 0 IHABHN CSc1ccc(S(=O)(=O)NCCCN2CCCCCC2)cc1NC(=O)C(C)C ZINC000223265416 557452894 /nfs/dbraw/zinc/45/28/94/557452894.db2.gz PQKVHTQBZBEAPB-UHFFFAOYSA-N 0 3 427.636 3.547 40 0 IHABHN CCCC[C@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(C2CCCCC2)CC1 ZINC000020141370 557515976 /nfs/dbraw/zinc/51/59/76/557515976.db2.gz GKQWBTJJVDIPRO-HSZRJFAPSA-N 0 3 426.609 3.912 40 0 IHABHN Cc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCN(C3CCCC3)CC2)cc1 ZINC000020142231 557516010 /nfs/dbraw/zinc/51/60/10/557516010.db2.gz MJMKYGVKACMINZ-VWLOTQADSA-N 0 3 430.600 3.874 40 0 IHABHN Cc1nnc(SCCNC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)[nH]1 ZINC000225910021 557791127 /nfs/dbraw/zinc/79/11/27/557791127.db2.gz GAUSLUSGMUTCOW-CYBMUJFWSA-N 0 3 428.389 3.540 40 0 IHABHN Cc1cnn(CCOc2cccc(CN3CCC(O)(COc4ccc(F)cc4)CC3)c2)c1 ZINC000585270012 568616764 /nfs/dbraw/zinc/61/67/64/568616764.db2.gz AHQKIBLEDMPFAO-UHFFFAOYSA-N 0 3 439.531 3.816 40 0 IHABHN OC1(COc2ccccc2F)CCN(Cc2cccc(OCCCn3ccnc3)c2)CC1 ZINC000585270046 568616778 /nfs/dbraw/zinc/61/67/78/568616778.db2.gz BHFVVWBFFDWPGR-UHFFFAOYSA-N 0 3 439.531 3.897 40 0 IHABHN Cc1nccn1CCOc1cccc(CN2CCC(O)(COc3ccc(F)cc3)CC2)c1 ZINC000585270919 568617835 /nfs/dbraw/zinc/61/78/35/568617835.db2.gz DOTNOILIBWOZJV-UHFFFAOYSA-N 0 3 439.531 3.816 40 0 IHABHN Cc1cc(C)cc(OC[C@@]2(O)CN(C[C@@]3(O)CC[C@H](c4ccccc4)CC3)CC[C@@H]2O)c1 ZINC000585287649 568618836 /nfs/dbraw/zinc/61/88/36/568618836.db2.gz PZGZHVSJZPZPCA-HDLKCZAISA-N 0 3 439.596 3.569 40 0 IHABHN O[C@@]1(CN2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)CC[C@@H](c2ccccc2)CC1 ZINC000585285885 568618942 /nfs/dbraw/zinc/61/89/42/568618942.db2.gz DPAWFQAHMBFKQQ-GPUOULLFSA-N 0 3 445.987 3.871 40 0 IHABHN CCn1cc(S(=O)(=O)N2CC[C@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)c(C)n1 ZINC000257215815 568672259 /nfs/dbraw/zinc/67/22/59/568672259.db2.gz CRTYFVUDNODSKX-KRWDZBQOSA-N 0 3 443.548 3.976 40 0 IHABHN CCCn1cnc2sc(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCCC[C@@H]35)N4C)c(C)c2c1=O ZINC000257260700 568693671 /nfs/dbraw/zinc/69/36/71/568693671.db2.gz LDYLJWDDVKHGNU-JHQQDIAJSA-N 0 3 428.602 3.654 40 0 IHABHN Cc1ccc(N2C[C@@]3(CCCN(Cc4ccnc(N5CCCCC5)n4)CC3)OCC2=O)cc1 ZINC000257328246 568723720 /nfs/dbraw/zinc/72/37/20/568723720.db2.gz XEUXHLCCHXQMHV-SANMLTNESA-N 0 3 449.599 3.563 40 0 IHABHN O[C@H](COCCOc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026781629 568739194 /nfs/dbraw/zinc/73/91/94/568739194.db2.gz DHRGVKAFAYGIMT-SANMLTNESA-N 0 3 446.591 3.850 40 0 IHABHN CN(Cc1ccccc1)C(=O)[C@@H]1CN(C)CC2(CCN(Cc3cccc(Cl)c3)CC2)O1 ZINC000306123088 568762574 /nfs/dbraw/zinc/76/25/74/568762574.db2.gz AEEXCRTZDNHSEV-QHCPKHFHSA-N 0 3 442.003 3.664 40 0 IHABHN CN(Cc1ccccc1)C(=O)[C@H]1CN(C)CC2(CCN(Cc3ccc(Cl)cc3)CC2)O1 ZINC000306126539 568764247 /nfs/dbraw/zinc/76/42/47/568764247.db2.gz DYTIVWMIHYDEMQ-HSZRJFAPSA-N 0 3 442.003 3.664 40 0 IHABHN O=C1N(Cc2ccccc2)CCO[C@@]12CN(Cc1ccc(F)cc1)C[C@@H]2c1cccnc1 ZINC000306130346 568766068 /nfs/dbraw/zinc/76/60/68/568766068.db2.gz JDBLHQKLMNNDSU-AOYPEHQESA-N 0 3 431.511 3.618 40 0 IHABHN CC(C)n1nccc1[C@@H]1CN(C(c2ccccc2)c2ccccc2)C[C@@]12OCCN(C)C2=O ZINC000306131209 568766700 /nfs/dbraw/zinc/76/67/00/568766700.db2.gz JYPSHEJIKUOVIO-WNCULLNHSA-N 0 3 444.579 3.880 40 0 IHABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3Cl)C[C@@H]1C2 ZINC000306132782 568767338 /nfs/dbraw/zinc/76/73/38/568767338.db2.gz LSBDLSCRGZKHOH-HOTGVXAUSA-N 0 3 425.895 3.627 40 0 IHABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3cccc(Cl)c3)C[C@@H]1C2 ZINC000306137097 568769913 /nfs/dbraw/zinc/76/99/13/568769913.db2.gz QLKXLSXDFOISQZ-JKSUJKDBSA-N 0 3 425.895 3.627 40 0 IHABHN COc1ccc(CN2CCO[C@@]3(CN(Cc4cccs4)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306141386 568772214 /nfs/dbraw/zinc/77/22/14/568772214.db2.gz VUEBYPPTLUMWSP-ILBGXUMGSA-N 0 3 449.576 3.549 40 0 IHABHN CN(C)CCNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2cccnc2)n1 ZINC000328995108 568808795 /nfs/dbraw/zinc/80/87/95/568808795.db2.gz JFZQNDCOYIHQQZ-UHFFFAOYSA-N 0 3 436.869 3.772 40 0 IHABHN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2)N1CCN2CCC[C@H]2C1 ZINC000239425927 569188711 /nfs/dbraw/zinc/18/87/11/569188711.db2.gz VLXJAOYICCCTEV-XEZPLFJOSA-N 0 3 425.480 3.525 40 0 IHABHN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2)N1CCN2CCC[C@H]2C1 ZINC000239425928 569188749 /nfs/dbraw/zinc/18/87/49/569188749.db2.gz VLXJAOYICCCTEV-ZENOOKHLSA-N 0 3 425.480 3.525 40 0 IHABHN C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)[C@H](c4ccccc4)C4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000019590211 569227377 /nfs/dbraw/zinc/22/73/77/569227377.db2.gz NTNGDOTZDZICGB-ZJSXRUAMSA-N 0 3 448.611 3.828 40 0 IHABHN C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)[C@H](c4ccccc4)C4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000019590211 569227379 /nfs/dbraw/zinc/22/73/79/569227379.db2.gz NTNGDOTZDZICGB-ZJSXRUAMSA-N 0 3 448.611 3.828 40 0 IHABHN COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2ccc(C)cc2OC)C1 ZINC000019702559 569232206 /nfs/dbraw/zinc/23/22/06/569232206.db2.gz XBYOHMCBCKRVFR-SFHVURJKSA-N 0 3 439.581 3.979 40 0 IHABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252516710 569288323 /nfs/dbraw/zinc/28/83/23/569288323.db2.gz WAPZTEYKJAHIHL-WAOWUJCRSA-N 0 3 436.961 3.502 40 0 IHABHN Cc1cc(Nc2cc(-c3ccncc3)nc(NCCN(C)C)n2)ccc1Br ZINC000329020892 569584011 /nfs/dbraw/zinc/58/40/11/569584011.db2.gz OEWNVOIDRHEWSX-UHFFFAOYSA-N 0 3 427.350 4.327 40 0 IHABHN CN(C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccccc2)C1 ZINC000004237213 291367669 /nfs/dbraw/zinc/36/76/69/291367669.db2.gz SIZRHCAKZCHFGH-SIKLNZKXSA-N 0 3 427.548 3.836 40 0 biogenic,in-vitro IHABHN O=C(NCc1ccccc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008297696 291375064 /nfs/dbraw/zinc/37/50/64/291375064.db2.gz FRPXQLIDGXYTQJ-BKULYWANSA-N 0 3 447.608 3.597 40 0 biogenic,in-vitro IHABHN CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2cc(C)c(O)c(C)c2)C3)c(OCC)n1 ZINC000012181084 521610461 /nfs/dbraw/zinc/61/04/61/521610461.db2.gz LGBMGYUGTJEKGM-WPUZRXDDSA-N 0 3 441.572 3.716 40 0 IHABHN COc1cccc(CNCCCSc2nnnn2C)c1OCc1ccc(Cl)cc1 ZINC000022109171 526014122 /nfs/dbraw/zinc/01/41/22/526014122.db2.gz YORVPERMAKVIAD-UHFFFAOYSA-N 0 3 433.965 3.723 40 0 IHABHN COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000027963107 556436225 /nfs/dbraw/zinc/43/62/25/556436225.db2.gz RVJAMJSQUQVIBZ-UHFFFAOYSA-N 0 3 436.961 3.591 40 0 IHABHN O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030939801 556515943 /nfs/dbraw/zinc/51/59/43/556515943.db2.gz MRBTTYBGNLVBBN-LJQANCHMSA-N 0 3 441.959 3.663 40 0 IHABHN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(CN2CCCCC2)cc1 ZINC000013678253 556555512 /nfs/dbraw/zinc/55/55/12/556555512.db2.gz ADOAWRDZCRCAQK-UHFFFAOYSA-N 0 3 427.570 3.709 40 0 IHABHN CC(=O)Oc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000100662904 556564703 /nfs/dbraw/zinc/56/47/03/556564703.db2.gz UVAZWQPBCIEZCG-ZLNRFVROSA-N 0 3 446.434 3.802 40 0 IHABHN CCOC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4C)[C@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000100799330 556591465 /nfs/dbraw/zinc/59/14/65/556591465.db2.gz KRTFUMFAYMRUBY-VSKRKVRLSA-N 0 3 446.459 3.816 40 0 IHABHN O=C(c1ccccc1CN1CCCCC1)N1CCOC[C@H](Cc2cccc3n[nH]cc32)C1 ZINC000257220273 556707352 /nfs/dbraw/zinc/70/73/52/556707352.db2.gz DKFUOINPUSNCTP-HXUWFJFHSA-N 0 3 432.568 3.880 40 0 IHABHN CCOc1ccc(NC(=S)N(CCN(C)C)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000000880583 556732287 /nfs/dbraw/zinc/73/22/87/556732287.db2.gz HPUMTXKGTLWDOF-UHFFFAOYSA-N 0 3 438.597 3.996 40 0 IHABHN O[C@@H](CN1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000019332970 556737646 /nfs/dbraw/zinc/73/76/46/556737646.db2.gz IRJKHMSQQMWFOZ-IBGZPJMESA-N 0 3 437.458 3.884 40 0 IHABHN O=C(CCc1nc2ccccc2s1)N1CCC(O)(CN2CCc3ccccc3C2)CC1 ZINC000019375383 556751440 /nfs/dbraw/zinc/75/14/40/556751440.db2.gz PKZPACZSLYYMOS-UHFFFAOYSA-N 0 3 435.593 3.641 40 0 IHABHN CCCC(=O)N1CCc2nc([C@H]3CCC[N@H+](Cc4ccc(C(C)C)cc4)C3)[n-]c(=O)c2C1 ZINC000019501585 556772953 /nfs/dbraw/zinc/77/29/53/556772953.db2.gz MJKNNFIUKLMBID-NRFANRHFSA-N 0 3 436.600 3.958 40 0 IHABHN CCCC(=O)N1CCc2nc([C@H]3CCC[N@@H+](Cc4ccc(C(C)C)cc4)C3)[n-]c(=O)c2C1 ZINC000019501585 556772955 /nfs/dbraw/zinc/77/29/55/556772955.db2.gz MJKNNFIUKLMBID-NRFANRHFSA-N 0 3 436.600 3.958 40 0 IHABHN COc1ccc2c(c1)[nH]cc2[C@@H](O)CN1CCC2(CC1)C[C@@H](O)c1cc(OC)ccc1O2 ZINC000019562177 556803621 /nfs/dbraw/zinc/80/36/21/556803621.db2.gz AXJSHCAYUXIJLL-PKTZIBPZSA-N 0 3 438.524 3.569 40 0 IHABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)[C@H](C)Cc1cccc(Cl)c1)C2 ZINC000019710698 556874431 /nfs/dbraw/zinc/87/44/31/556874431.db2.gz JSQYLDVBVBBFBL-MRXNPFEDSA-N 0 3 442.007 3.744 40 0 IHABHN Cc1nc([C@@H]2CCCN(C3CCOCC3)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019741413 556883641 /nfs/dbraw/zinc/88/36/41/556883641.db2.gz OJVJXVMGPJEGMN-LJQANCHMSA-N 0 3 438.547 3.762 40 0 IHABHN Cc1nn(C)c2nc(C3CCN(Cc4ccc(OCCN5CCCC5=O)cc4)CC3)ccc12 ZINC000019744592 556891054 /nfs/dbraw/zinc/89/10/54/556891054.db2.gz LLQWSRHMSMMUGH-UHFFFAOYSA-N 0 3 447.583 3.658 40 0 IHABHN O=C(NCCOc1cccc(F)c1)c1ccc([C@@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000019752794 556896537 /nfs/dbraw/zinc/89/65/37/556896537.db2.gz NXJNUIOOSWTMCH-HXUWFJFHSA-N 0 3 434.515 3.804 40 0 IHABHN CN(C)c1nc2ccccc2cc1CN1CC[C@H](c2cc(C(N)=O)c3ccccc3n2)C1 ZINC000019762096 556906268 /nfs/dbraw/zinc/90/62/68/556906268.db2.gz VXVPZCRURMTRND-SFHVURJKSA-N 0 3 425.536 3.937 40 0 IHABHN COc1cc2c(cc1CN1CCC[C@@H](c3ccc4c(NC(C)C)n[nH]c4n3)C1)OCCO2 ZINC000072374479 556948259 /nfs/dbraw/zinc/94/82/59/556948259.db2.gz RJDHJOVIWJUYAP-MRXNPFEDSA-N 0 3 437.544 3.938 40 0 IHABHN CC(C)c1[nH]c2ncccc2c1[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cnn(C)c1 ZINC000072395512 556967280 /nfs/dbraw/zinc/96/72/80/556967280.db2.gz DRJGLVFNJBDDLG-FGZHOGPDSA-N 0 3 442.567 3.818 40 0 IHABHN CCOc1cc(CN2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)ccc1OC ZINC000072395703 556968069 /nfs/dbraw/zinc/96/80/69/556968069.db2.gz YRGLRXYAJZXFQA-QFBILLFUSA-N 0 3 439.482 3.885 40 0 IHABHN COc1cccc([C@@H]2CN(C(=O)CN3CC[C@@H]4CCCC[C@H]4C3)C[C@H]2c2csnn2)c1 ZINC000257215958 556981354 /nfs/dbraw/zinc/98/13/54/556981354.db2.gz CSKWEIGZPNEZTK-XODARUQUSA-N 0 3 440.613 3.768 40 0 IHABHN Cc1cccc(-c2ccc3c(c2)C2(CN3C(=O)CCN3CCN(C)CC3)CCOCC2)c1 ZINC000585105917 557039274 /nfs/dbraw/zinc/03/92/74/557039274.db2.gz YXPGZBXSYQOJBD-UHFFFAOYSA-N 0 3 433.596 3.694 40 0 IHABHN COc1ccc(CNCc2ccc(OCc3nnnn3-c3ccc(C)cc3)c(OC)c2)cc1 ZINC000022108344 557177822 /nfs/dbraw/zinc/17/78/22/557177822.db2.gz GOWCHNLMBWMXAY-UHFFFAOYSA-N 0 3 445.523 3.857 40 0 IHABHN O=C(NCc1ccccc1)NC1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000013563174 557353392 /nfs/dbraw/zinc/35/33/92/557353392.db2.gz JBIRYXCOSWFQLB-UHFFFAOYSA-N 0 3 448.611 3.970 40 0 IHABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc(Br)cc3)CC1)C[C@H]2O ZINC000013998247 557402926 /nfs/dbraw/zinc/40/29/26/557402926.db2.gz WFMHTROHQNRTAM-UXHICEINSA-N 0 3 448.357 3.842 40 0 IHABHN Cc1cc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)ccc1N1CCCC1=O ZINC000224833966 557656652 /nfs/dbraw/zinc/65/66/52/557656652.db2.gz ACPKOZAKODJIIJ-UHFFFAOYSA-N 0 3 441.597 3.586 40 0 IHABHN Cc1ccc(C(=O)NCCCN2CCc3ccccc3C2)c(I)c1 ZINC000225031006 557680213 /nfs/dbraw/zinc/68/02/13/557680213.db2.gz YBDAUOKKOKBBFR-UHFFFAOYSA-N 0 3 434.321 3.778 40 0 IHABHN CN(C)CCOc1ccccc1C(=O)N1CCC[C@H](c2cccc(Nc3cnccn3)n2)C1 ZINC000257221486 568675016 /nfs/dbraw/zinc/67/50/16/568675016.db2.gz DPFJIENUSVJBOO-IBGZPJMESA-N 0 3 446.555 3.575 40 0 IHABHN c1cc2c(C[C@H]3COCCN(Cc4ccccc4OCc4cccnc4)C3)cccn2n1 ZINC000257227381 568677633 /nfs/dbraw/zinc/67/76/33/568677633.db2.gz FPABGPADEGOBQI-JOCHJYFZSA-N 0 3 428.536 3.999 40 0 IHABHN Cc1nc([C@@H]2CCN(Cc3ccc(C(C)C)cc3)C2)nc(C)c1CC(=O)N1CCOCC1 ZINC000257239906 568683823 /nfs/dbraw/zinc/68/38/23/568683823.db2.gz HRHZBALLCWFRPU-HSZRJFAPSA-N 0 3 436.600 3.608 40 0 IHABHN CSCC[C@@H](N)C(=O)N1CC[C@H]2O[C@H]3c4cc(Cl)ccc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257329040 568723946 /nfs/dbraw/zinc/72/39/46/568723946.db2.gz XICXYSHDEOPNHC-YDQVPQBGSA-N 0 3 439.021 3.886 40 0 IHABHN O=C(CN1CCC(CCc2ccnc(NC(=O)c3ccc(F)cc3)c2)CC1)N1CCCC1 ZINC000257342223 568729443 /nfs/dbraw/zinc/72/94/43/568729443.db2.gz ZNQDLTXKEMSBJO-UHFFFAOYSA-N 0 3 438.547 3.740 40 0 IHABHN CN(Cc1ccccc1)C(=O)[C@@H]1CN(C)CC2(CCN(Cc3ccc(Cl)cc3)CC2)O1 ZINC000306126540 568764231 /nfs/dbraw/zinc/76/42/31/568764231.db2.gz DYTIVWMIHYDEMQ-QHCPKHFHSA-N 0 3 442.003 3.664 40 0 IHABHN O=C1N(Cc2ccsc2)CCO[C@]12CN(Cc1cccc(F)c1)C[C@@H]2c1cccnc1 ZINC000306128354 568765183 /nfs/dbraw/zinc/76/51/83/568765183.db2.gz GYLONOFBTDSHJC-VWNXMTODSA-N 0 3 437.540 3.679 40 0 IHABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3ccc(Cl)cc3)C[C@@H]1C2 ZINC000306129499 568765614 /nfs/dbraw/zinc/76/56/14/568765614.db2.gz IFAKMTXMZBOARO-JKSUJKDBSA-N 0 3 425.895 3.627 40 0 IHABHN O=C(C1CC=CC1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 ZINC000306132603 568767480 /nfs/dbraw/zinc/76/74/80/568767480.db2.gz LNQBQNVTEIZAPX-UHFFFAOYSA-N 0 3 432.568 3.822 40 0 IHABHN CC(C)NC(=O)c1nnc2n1C[C@H]1N(Cc3ccsc3)CC[C@]1(c1ccccc1)CC2 ZINC000306139476 568771267 /nfs/dbraw/zinc/77/12/67/568771267.db2.gz SYFGYOLRUYMCCE-YKSBVNFPSA-N 0 3 435.597 3.637 40 0 IHABHN CN(C)CCNc1nc(Nc2ccccc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328981267 568808406 /nfs/dbraw/zinc/80/84/06/568808406.db2.gz GTTVVCXQTBMICX-UHFFFAOYSA-N 0 3 435.425 3.742 40 0 IHABHN Cc1ccc(Nc2cc(-c3ccccc3)nc(NCCN(C)C)n2)c(Br)c1 ZINC000329018387 568809521 /nfs/dbraw/zinc/80/95/21/568809521.db2.gz NRFXDHONXRZNDC-UHFFFAOYSA-N 0 3 426.362 3.775 40 0 IHABHN C[C@@H]1Cc2cc(CN3CCC[C@H]([C@H](NC(=O)[C@H]4CCCO4)c4ccccn4)C3)ccc2O1 ZINC000253594337 569208995 /nfs/dbraw/zinc/20/89/95/569208995.db2.gz YNDJUFYEHGEVFJ-WQTPVJRFSA-N 0 3 435.568 3.654 40 0 IHABHN Cc1ccc(CN2CCC(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)CC2)cc1 ZINC000009063175 569219802 /nfs/dbraw/zinc/21/98/02/569219802.db2.gz NXRGMJIBYHGYQC-QFIPXVFZSA-N 0 3 435.568 3.755 40 0 IHABHN CN(C)c1nc2ccccc2cc1CN1CC[C@@H](c2c3cccnc3sc2C(N)=O)C1 ZINC000019702124 569231770 /nfs/dbraw/zinc/23/17/70/569231770.db2.gz LGLNWLULPFVUKO-MRXNPFEDSA-N 0 3 431.565 3.999 40 0 IHABHN Cc1c(CN2CCC[C@H](c3ncc(C(=O)N(C)C)c(C)n3)C2)c(-c2ccccc2)nn1C ZINC000019763086 569237909 /nfs/dbraw/zinc/23/79/09/569237909.db2.gz ACMSVUYSSCJYOB-FQEVSTJZSA-N 0 3 432.572 3.575 40 0 IHABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000252515871 569288188 /nfs/dbraw/zinc/28/81/88/569288188.db2.gz OFWVXHUKENCCBU-DBXWQHBBSA-N 0 3 436.961 3.502 40 0 IHABHN Cc1cc(Br)ccc1Nc1cc(-c2cccnc2)nc(NCCN(C)C)n1 ZINC000328956539 569583265 /nfs/dbraw/zinc/58/32/65/569583265.db2.gz AGXZYMLTIMTFQY-UHFFFAOYSA-N 0 3 427.350 4.327 40 0 IHABHN CC(C)C[C@@H]1N[C@H](C(=O)N2CCOCC2)Cc2cn(Cc3ccccn3)c3cccc1c23 ZINC000049171681 291365285 /nfs/dbraw/zinc/36/52/85/291365285.db2.gz XYOJRRVZYUZQQL-GOTSBHOMSA-N 0 3 432.568 3.545 40 0 biogenic,in-vitro IHABHN COCCNC(=O)[C@@H]1Cc2cn(Cc3c(C)noc3C)c3cccc(c23)[C@H](CC(C)C)N1 ZINC000049171810 291368783 /nfs/dbraw/zinc/36/87/83/291368783.db2.gz NEELZWBUWYXSCE-VXKWHMMOSA-N 0 3 438.572 3.659 40 0 biogenic,in-vitro IHABHN COc1ccccc1-c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)C2CCCCC2)n(C)n1 ZINC000012601977 291372094 /nfs/dbraw/zinc/37/20/94/291372094.db2.gz FDRVQVYFEKHQJJ-VWPQPMDRSA-N 0 3 436.600 3.970 40 0 biogenic,in-vitro IHABHN COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC000028220876 556446354 /nfs/dbraw/zinc/44/63/54/556446354.db2.gz ACAWBIGBTJBGQL-HXUWFJFHSA-N 0 3 427.976 3.909 40 0 IHABHN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)ccc1O ZINC000100990996 556633643 /nfs/dbraw/zinc/63/36/43/556633643.db2.gz KGEQGIAXPBGPBH-FSSWDIPSSA-N 0 3 434.423 3.591 40 0 IHABHN CC[C@H](NC(=O)C1CCN(Cc2cccc(C)c2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856973 556672929 /nfs/dbraw/zinc/67/29/29/556672929.db2.gz PUQBQIIFOLBSTA-QHCPKHFHSA-N 0 3 428.598 3.878 40 0 IHABHN COc1ccc(CNC(=O)CN2CCC[C@@](COc3ccc(C)cc3)(OC)CC2)cc1 ZINC000257241310 556710458 /nfs/dbraw/zinc/71/04/58/556710458.db2.gz HXPIMUKOYVIORS-RUZDIDTESA-N 0 3 426.557 3.570 40 0 IHABHN Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(NC(=O)C4CC4)cc3)CC1)O2 ZINC000019219260 556713727 /nfs/dbraw/zinc/71/37/27/556713727.db2.gz CWBYIGABAUUDPH-DHIUTWEWSA-N 0 3 436.552 3.728 40 0 IHABHN COc1cc(CN2CC[C@H]3[C@@H](C2)[C@H](c2cccc(C)c2)CN3C(C)=O)cc(OC)c1OC ZINC000019235211 556719639 /nfs/dbraw/zinc/71/96/39/556719639.db2.gz XUEDZLXCKHYQEX-VABKMULXSA-N 0 3 438.568 3.857 40 0 IHABHN Cc1ccccc1C1(O)CCN(C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)C)CC1 ZINC000019236911 556721833 /nfs/dbraw/zinc/72/18/33/556721833.db2.gz GKJSXIBMCATYHL-VWLOTQADSA-N 0 3 436.596 3.947 40 0 IHABHN O=C(c1cccc(F)c1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCCCC1)CC2 ZINC000019293562 556733229 /nfs/dbraw/zinc/73/32/29/556733229.db2.gz INIGTZGWOMBYKL-QFIPXVFZSA-N 0 3 438.547 3.967 40 0 IHABHN O=C(c1cccc(F)c1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCCCC1)CC2 ZINC000019293562 556733232 /nfs/dbraw/zinc/73/32/32/556733232.db2.gz INIGTZGWOMBYKL-QFIPXVFZSA-N 0 3 438.547 3.967 40 0 IHABHN O[C@H](CN1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000019332974 556737479 /nfs/dbraw/zinc/73/74/79/556737479.db2.gz IRJKHMSQQMWFOZ-LJQANCHMSA-N 0 3 437.458 3.884 40 0 IHABHN O=C(C1CC1)N1CCc2cc([C@@H](O)CN3CCC[C@@](O)(c4ccc(F)cc4)CC3)ccc21 ZINC000019332946 556737541 /nfs/dbraw/zinc/73/75/41/556737541.db2.gz IWAYUNFKXVQRMW-AHWVRZQESA-N 0 3 438.543 3.532 40 0 IHABHN Fc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019343833 556741771 /nfs/dbraw/zinc/74/17/71/556741771.db2.gz KQLGOMMTFREDOH-NRFANRHFSA-N 0 3 426.565 3.572 40 0 IHABHN O=C(c1ccc2ccccc2n1)N1CCC(O)(CN2CCCC[C@@H]2c2cccnc2)CC1 ZINC000019376310 556752164 /nfs/dbraw/zinc/75/21/64/556752164.db2.gz QBGOTWOVENCYRZ-XMMPIXPASA-N 0 3 430.552 3.824 40 0 IHABHN CCc1ncc(CN2CC[C@](Cc3ccc(-c4ccncc4)cc3)(C(=O)N(C)C)C2)cn1 ZINC000019523321 556780818 /nfs/dbraw/zinc/78/08/18/556780818.db2.gz ZAMVTTNQZBQIEA-AREMUKBSSA-N 0 3 429.568 3.624 40 0 IHABHN CCOc1ccc(CN2CCC(O)(Cn3cnc4sc(C)c(C)c4c3=O)CC2)cc1 ZINC000019533201 556793389 /nfs/dbraw/zinc/79/33/89/556793389.db2.gz IFUSLZRMDAHBCG-UHFFFAOYSA-N 0 3 427.570 3.501 40 0 IHABHN Cc1c(C(=O)N2CCC[C@H](c3cc(=O)[n-]c(C4CC[NH+](C)CC4)n3)C2)c2ccccc2n1C ZINC000019581728 556819597 /nfs/dbraw/zinc/81/95/97/556819597.db2.gz ILNFBJFQCIMJKT-IBGZPJMESA-N 0 3 447.583 3.811 40 0 IHABHN CN(C)c1cc(C2CCN(Cc3ccc4c(c3)OCCO4)CC2)nc(-c2cccnc2)n1 ZINC000019584477 556821926 /nfs/dbraw/zinc/82/19/26/556821926.db2.gz PJWHVOCPWPGNLS-UHFFFAOYSA-N 0 3 431.540 3.755 40 0 IHABHN COCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cc3c(cc2OC)CCCC3)C1 ZINC000019592988 556829216 /nfs/dbraw/zinc/82/92/16/556829216.db2.gz 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Cc1nc([C@@H]2CCCN2C(=O)CN2CCCCCC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000072345377 556916784 /nfs/dbraw/zinc/91/67/84/556916784.db2.gz IWGVZEADTLJPFI-NRFANRHFSA-N 0 3 439.535 3.716 40 0 IHABHN CCOc1ccc(CN2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1CO ZINC000072352945 556925345 /nfs/dbraw/zinc/92/53/45/556925345.db2.gz ZQPVZFYDQCYLML-NRFANRHFSA-N 0 3 447.583 3.875 40 0 IHABHN CN(C)CCOc1ccccc1C(=O)N1CCC[C@H]1c1cccc(Nc2cnccn2)n1 ZINC000072375582 556951866 /nfs/dbraw/zinc/95/18/66/556951866.db2.gz MBADWGJNPQHZAI-FQEVSTJZSA-N 0 3 432.528 3.533 40 0 IHABHN COc1ccccc1OCCN(C)Cc1c2cccnc2[nH]c1[C@H]1CCCN(C(C)=O)C1 ZINC000072395276 556966710 /nfs/dbraw/zinc/96/67/10/556966710.db2.gz TWICYWGBKGLKST-IBGZPJMESA-N 0 3 436.556 3.808 40 0 IHABHN CN1CCN(C2CCN(c3ncc(-c4ccsc4)c(-c4nccs4)n3)CC2)CC1 ZINC000072396680 556969471 /nfs/dbraw/zinc/96/94/71/556969471.db2.gz RFFBDYOZUZYGGI-UHFFFAOYSA-N 0 3 426.615 3.545 40 0 IHABHN Cc1nccn1CCOc1ccc(CN2C[C@H](O)[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000585268829 557210254 /nfs/dbraw/zinc/21/02/54/557210254.db2.gz NNFHDFIPUIHFDN-GOTSBHOMSA-N 0 3 427.932 3.548 40 0 IHABHN OC1(COc2ccc(F)cc2)CCN(Cc2ccc(OCCCn3cccn3)cc2)CC1 ZINC000585272457 557217083 /nfs/dbraw/zinc/21/70/83/557217083.db2.gz IVFSGABQMAQUML-UHFFFAOYSA-N 0 3 439.531 3.897 40 0 IHABHN Cc1ccccc1OC[C@]1(O)COCCN(C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C1 ZINC000585286706 557225648 /nfs/dbraw/zinc/22/56/48/557225648.db2.gz HVUPOVPIMZIECS-DMTNHVFBSA-N 0 3 425.569 3.526 40 0 IHABHN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2)N1CCN2CCC[C@@H]2C1 ZINC000017094416 557226965 /nfs/dbraw/zinc/22/69/65/557226965.db2.gz VLXJAOYICCCTEV-XJKCOSOUSA-N 0 3 425.480 3.525 40 0 IHABHN COc1cccc(-c2noc(CN(C)C(=O)[C@@H]3CCCN(Cc4ccc(F)cc4)C3)n2)c1 ZINC000222601133 557359424 /nfs/dbraw/zinc/35/94/24/557359424.db2.gz OMLSKLOTSAEMOG-LJQANCHMSA-N 0 3 438.503 3.755 40 0 IHABHN COc1ccc(CC(=O)N2CCN(Cc3ccccc3)C[C@H](Cc3ccccn3)C2)cc1 ZINC000072355165 557387422 /nfs/dbraw/zinc/38/74/22/557387422.db2.gz UGHFDYOCMIZTAB-DEOSSOPVSA-N 0 3 429.564 3.836 40 0 IHABHN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000223347692 557461093 /nfs/dbraw/zinc/46/10/93/557461093.db2.gz BABQKNQPORSTKU-BWAHOGKJSA-N 0 3 443.547 3.924 40 0 IHABHN COc1ncc([C@]2(O)CCC[C@H]3CN(Cc4ccc(C(F)(F)F)cc4)C[C@@H]32)c(OC)n1 ZINC000019594833 557506368 /nfs/dbraw/zinc/50/63/68/557506368.db2.gz UOMILIRNOLQPER-UQASEVPWSA-N 0 3 437.462 3.632 40 0 IHABHN COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224698116 557641566 /nfs/dbraw/zinc/64/15/66/557641566.db2.gz MTNJQKUQTIXHNM-UHFFFAOYSA-N 0 3 436.961 3.591 40 0 IHABHN COCCNC(=O)c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(N)c1 ZINC000225440655 557723027 /nfs/dbraw/zinc/72/30/27/557723027.db2.gz REZQYSHUTPDFQJ-UHFFFAOYSA-N 0 3 444.579 3.557 40 0 IHABHN Cc1cccc(OC[C@@]2(O)COCCN(C[C@@]3(O)CC[C@H](c4ccccc4)CC3)C2)c1 ZINC000585288276 568619363 /nfs/dbraw/zinc/61/93/63/568619363.db2.gz ZWORZDLSCSHYNP-DMDYGQEQSA-N 0 3 425.569 3.526 40 0 IHABHN Cn1c2ccc(CN3CCC(c4cccc(Nc5ccccn5)n4)CC3)cc2n(C)c1=O ZINC000257201061 568665306 /nfs/dbraw/zinc/66/53/06/568665306.db2.gz AGAPKTMWSRCSHY-UHFFFAOYSA-N 0 3 428.540 3.790 40 0 IHABHN CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccccc2OCCN(C)C)n1 ZINC000257223054 568675654 /nfs/dbraw/zinc/67/56/54/568675654.db2.gz DVSAXEPAUWRGST-NRFANRHFSA-N 0 3 433.556 3.747 40 0 IHABHN O=C(C1CCN(Cc2ccc(F)cc2)CC1)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)O2 ZINC000257337042 568727459 /nfs/dbraw/zinc/72/74/59/568727459.db2.gz YRCYUVINNDHKSK-VWLOTQADSA-N 0 3 437.515 3.666 40 0 IHABHN COC(=O)N1Cc2nnc(-c3cccs3)n2C2(CCN(Cc3ccc(C)s3)CC2)C1 ZINC000306125252 568763650 /nfs/dbraw/zinc/76/36/50/568763650.db2.gz CKOSABBWLSSHFY-UHFFFAOYSA-N 0 3 443.598 3.950 40 0 IHABHN Cc1nc2c(n1C(C)C)CN(C(=O)c1ccnn1C)CC21CCN(Cc2ccccc2)CC1 ZINC000306129423 568765778 /nfs/dbraw/zinc/76/57/78/568765778.db2.gz ICMXUODBJSAGBZ-UHFFFAOYSA-N 0 3 446.599 3.696 40 0 IHABHN COC(=O)N1Cc2nnc(-c3cccs3)n2C2(CCN(Cc3cccs3)CC2)C1 ZINC000306130870 568766357 /nfs/dbraw/zinc/76/63/57/568766357.db2.gz JROJDCZOYLKXQG-UHFFFAOYSA-N 0 3 429.571 3.641 40 0 IHABHN O=C(c1ccccn1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 ZINC000306140174 568771458 /nfs/dbraw/zinc/77/14/58/568771458.db2.gz UMGZVSPSSUXOCL-UHFFFAOYSA-N 0 3 443.551 3.565 40 0 IHABHN CN(C)CCNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2ccccn2)n1 ZINC000328966245 568808011 /nfs/dbraw/zinc/80/80/11/568808011.db2.gz CJVBLHJZQSWTNB-UHFFFAOYSA-N 0 3 436.869 3.772 40 0 IHABHN CN(C)CCNc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(C(F)(F)F)n1 ZINC000329048289 568810290 /nfs/dbraw/zinc/81/02/90/568810290.db2.gz UJDCPKUITHFARK-UHFFFAOYSA-N 0 3 427.780 3.729 40 0 IHABHN COCCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(OC)c(C)c2C)C1 ZINC000222016722 568906947 /nfs/dbraw/zinc/90/69/47/568906947.db2.gz VZBYVNVCVOECGM-PXDATVDWSA-N 0 3 425.573 3.813 40 0 IHABHN COc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4ccccc4C(F)(F)F)C[C@H]32)c(OC)n1 ZINC000247908114 569206274 /nfs/dbraw/zinc/20/62/74/569206274.db2.gz XSBMWMRBOQHPKG-FQELHTAISA-N 0 3 437.462 3.632 40 0 IHABHN COc1ncc([C@]2(O)CCC[C@H]3CN(Cc4ccc(C(F)(F)F)cc4)C[C@H]32)c(OC)n1 ZINC000247894776 569206345 /nfs/dbraw/zinc/20/63/45/569206345.db2.gz UOMILIRNOLQPER-RRMPHLOHSA-N 0 3 437.462 3.632 40 0 IHABHN COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C2)c(C)c1C ZINC000247913535 569206494 /nfs/dbraw/zinc/20/64/94/569206494.db2.gz VNYUVYKEONCXHA-FTBPSBKWSA-N 0 3 437.584 3.956 40 0 IHABHN COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2c[nH]nc2C(C)(C)C)C1 ZINC000019702593 569232222 /nfs/dbraw/zinc/23/22/22/569232222.db2.gz XNPJACGKGKUOBI-OAHLLOKOSA-N 0 3 441.601 3.683 40 0 IHABHN CC(=O)Nc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000018068557 569284789 /nfs/dbraw/zinc/28/47/89/569284789.db2.gz IYRVNKAGCDPRBN-VABKMULXSA-N 0 3 445.450 3.835 40 0 IHABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000252516709 569288387 /nfs/dbraw/zinc/28/83/87/569288387.db2.gz WAPZTEYKJAHIHL-DBXWQHBBSA-N 0 3 436.961 3.502 40 0 IHABHN CCOC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4C)[C@@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000008741682 569472914 /nfs/dbraw/zinc/47/29/14/569472914.db2.gz KRTFUMFAYMRUBY-FKBYEOEOSA-N 0 3 446.459 3.816 40 0 IHABHN O=C(Nc1ccccc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008299281 291376022 /nfs/dbraw/zinc/37/60/22/291376022.db2.gz CIDXFSXEGGHAEG-AAIMPIBUSA-N 0 3 433.581 3.920 40 0 biogenic,in-vitro IHABHN COc1cc([C@@](O)(CCN2CCCCC2)c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000001666186 555708506 /nfs/dbraw/zinc/70/85/06/555708506.db2.gz MHJLLVYDIAGTRN-XMMPIXPASA-N 0 3 429.513 3.553 40 0 IHABHN COc1ccc2cc(CN(CCN(C)C)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000009704230 556307216 /nfs/dbraw/zinc/30/72/16/556307216.db2.gz UQVSRQWOEVBHSS-UHFFFAOYSA-N 0 3 428.533 3.849 40 0 IHABHN COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000027962598 556436211 /nfs/dbraw/zinc/43/62/11/556436211.db2.gz IWYTXMRXHQPMGS-UHFFFAOYSA-N 0 3 436.961 3.591 40 0 IHABHN COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)CC1 ZINC000038836146 556623140 /nfs/dbraw/zinc/62/31/40/556623140.db2.gz QTDSRPIWRYAELM-HXUWFJFHSA-N 0 3 427.976 3.909 40 0 IHABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1OC ZINC000019125163 556702831 /nfs/dbraw/zinc/70/28/31/556702831.db2.gz DEMQNPMNPGBYCA-RTWAWAEBSA-N 0 3 427.541 3.705 40 0 IHABHN CN1C(=O)C2(C[C@@H]1Cc1ccccc1)CCN(C(=O)c1ccccc1CN1CCCC1)CC2 ZINC000257246749 556711014 /nfs/dbraw/zinc/71/10/14/556711014.db2.gz IVRDCIWBAHOGCA-DEOSSOPVSA-N 0 3 445.607 3.978 40 0 IHABHN COCCOc1cc(CN(C)C[C@@H](O)Cn2c(C)c(C)c3ccccc32)ccc1OC ZINC000257297274 556717017 /nfs/dbraw/zinc/71/70/17/556717017.db2.gz RGOISZMBASPTDA-OAQYLSRUSA-N 0 3 426.557 3.785 40 0 IHABHN CCOc1ccc(NC(=S)N(CCN(C)C)Cc2cc3cccc(C)c3[nH]c2=O)cc1 ZINC000000880616 556732311 /nfs/dbraw/zinc/73/23/11/556732311.db2.gz FGBUDDUUHCHJAJ-UHFFFAOYSA-N 0 3 438.597 3.996 40 0 IHABHN CC(C)c1ccc(C[N@@H+]2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)cc1 ZINC000019453228 556763961 /nfs/dbraw/zinc/76/39/61/556763961.db2.gz YEIHPWDNGDZJLO-NRFANRHFSA-N 0 3 434.584 3.568 40 0 IHABHN CC(C)c1ccc(C[N@H+]2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)cc1 ZINC000019453228 556763964 /nfs/dbraw/zinc/76/39/64/556763964.db2.gz YEIHPWDNGDZJLO-NRFANRHFSA-N 0 3 434.584 3.568 40 0 IHABHN CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN(C(=O)c5cccnc5)C4)[n-]c(=O)c3C2)CC1 ZINC000019495965 556768655 /nfs/dbraw/zinc/76/86/55/556768655.db2.gz AFLFRPOTURDVCM-SKINQDTJSA-N 0 3 435.572 3.534 40 0 IHABHN CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN(C(=O)c5cccnc5)C4)[n-]c(=O)c3C2)CC1 ZINC000019495965 556768658 /nfs/dbraw/zinc/76/86/58/556768658.db2.gz AFLFRPOTURDVCM-SKINQDTJSA-N 0 3 435.572 3.534 40 0 IHABHN CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)CN4CCC(C)CC4)C3)cc2n1 ZINC000019496857 556769167 /nfs/dbraw/zinc/76/91/67/556769167.db2.gz ULRNNDPBHBSIAY-INIZCTEOSA-N 0 3 437.510 3.919 40 0 IHABHN COc1c(CN2CC[C@@](Cc3ccc(-c4ccccc4)cc3)(C(=O)N(C)C)C2)c(C)nn1C ZINC000019577922 556815447 /nfs/dbraw/zinc/81/54/47/556815447.db2.gz RHSYSZFZCMRXOI-MHZLTWQESA-N 0 3 446.595 3.927 40 0 IHABHN CN(C)CCNC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)CC2CCCC2)CCO1 ZINC000019696214 556853218 /nfs/dbraw/zinc/85/32/18/556853218.db2.gz XKPWGZKDSMIJHY-IBGZPJMESA-N 0 3 443.613 3.673 40 0 IHABHN O=C(NCCOc1cccc(F)c1)c1ccc([C@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000019752796 556896372 /nfs/dbraw/zinc/89/63/72/556896372.db2.gz NXJNUIOOSWTMCH-FQEVSTJZSA-N 0 3 434.515 3.804 40 0 IHABHN O=C1N[C@]2(COC3(C2)CCN(Cc2ccc4nccnc4c2)CC3)Nc2ccc(Cl)cc21 ZINC000072325624 556902897 /nfs/dbraw/zinc/90/28/97/556902897.db2.gz RODAHFAHKWKTII-XMMPIXPASA-N 0 3 449.942 3.590 40 0 IHABHN CCS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3cccc(C)c3)CC2)o1 ZINC000072344903 556915796 /nfs/dbraw/zinc/91/57/96/556915796.db2.gz GVZDQQIIFMPCQH-HXUWFJFHSA-N 0 3 432.590 3.634 40 0 IHABHN CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2cc3c(cc2C)n(C)c(=O)n3C)C1 ZINC000072352323 556923885 /nfs/dbraw/zinc/92/38/85/556923885.db2.gz LNOACZNYAJSGCE-MRXNPFEDSA-N 0 3 448.592 3.749 40 0 IHABHN Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(C(=O)CN3CCc4ccccc4C3)C2)n1 ZINC000072374935 556949426 /nfs/dbraw/zinc/94/94/26/556949426.db2.gz ZIFDFBOBAOCCHS-JOCHJYFZSA-N 0 3 442.567 3.688 40 0 IHABHN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)cc1 ZINC000101083940 557120430 /nfs/dbraw/zinc/12/04/30/557120430.db2.gz ARZHICNHPZMVIN-XPWALMASSA-N 0 3 430.460 3.755 40 0 IHABHN COc1ccc([C@H]2CN(Cc3ccccc3OCCN3CCCC3)CCN2C(C)=O)cc1 ZINC000585261969 557198044 /nfs/dbraw/zinc/19/80/44/557198044.db2.gz XAUJWOFZBRXQRK-RUZDIDTESA-N 0 3 437.584 3.575 40 0 IHABHN Cc1ccn(CCOc2ccc(CN3CCC(O)(COc4ccc(C)cc4)CC3)cc2)n1 ZINC000585271780 557216356 /nfs/dbraw/zinc/21/63/56/557216356.db2.gz CTDQZFOEOYTISD-UHFFFAOYSA-N 0 3 435.568 3.985 40 0 IHABHN Cc1cc(C)n(CCOc2cccc(CN3CCC[C@@](O)(COc4ccccc4)C3)c2)n1 ZINC000585272258 557217262 /nfs/dbraw/zinc/21/72/62/557217262.db2.gz ROYOQLDPJLDGCM-SANMLTNESA-N 0 3 435.568 3.985 40 0 IHABHN CC(=O)NCCCOc1ccc(CN2CCC[C@@](O)(COc3ccc(C)cc3)CC2)cc1 ZINC000585280593 557220369 /nfs/dbraw/zinc/22/03/69/557220369.db2.gz QHELXABDACZIGA-SANMLTNESA-N 0 3 440.584 3.696 40 0 IHABHN Cc1cc(C)c(C)c(OC[C@@]2(O)CN(C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)CC[C@@H]2O)c1 ZINC000585287181 557225929 /nfs/dbraw/zinc/22/59/29/557225929.db2.gz KGBKWZSZKXXVJK-CWMWJYQDSA-N 0 3 433.633 3.756 40 0 IHABHN COc1cccc(-c2noc(CN(C)C(=O)C3CCN(Cc4ccc(C)cc4)CC3)n2)c1 ZINC000219409118 557243197 /nfs/dbraw/zinc/24/31/97/557243197.db2.gz GXHYTKRNXXWUEB-UHFFFAOYSA-N 0 3 434.540 3.924 40 0 IHABHN COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(OC(C)C)cc2)C1 ZINC000057774135 557264039 /nfs/dbraw/zinc/26/40/39/557264039.db2.gz HZIKANNGKYALMR-BWKNWUBXSA-N 0 3 425.573 3.975 40 0 IHABHN CCOc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(C3CCCC3)CC2)cc1 ZINC000022929161 557277585 /nfs/dbraw/zinc/27/75/85/557277585.db2.gz MIJDAPWXFJNEBS-RUZDIDTESA-N 0 3 446.599 3.770 40 0 IHABHN Cc1cc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c2ccccc2n1 ZINC000016268861 557471428 /nfs/dbraw/zinc/47/14/28/557471428.db2.gz MRZBXMBKPNDTKA-UHFFFAOYSA-N 0 3 446.370 3.817 40 0 IHABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C ZINC000225716193 557767778 /nfs/dbraw/zinc/76/77/78/557767778.db2.gz UYYAKRQGODBTNI-MRXNPFEDSA-N 0 3 425.620 3.577 40 0 IHABHN Cc1cnn(CCOc2ccc(CN3CCC(O)(COc4ccc(F)cc4)CC3)cc2)c1 ZINC000585274688 568618527 /nfs/dbraw/zinc/61/85/27/568618527.db2.gz YHKIGZRBLJEAMW-UHFFFAOYSA-N 0 3 439.531 3.816 40 0 IHABHN CC(C)(C)[C@H]1CC[C@](O)(CN2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)CC1 ZINC000585288253 568619456 /nfs/dbraw/zinc/61/94/56/568619456.db2.gz ZLRCHCBQDRLFJJ-YFXJRYMSSA-N 0 3 425.997 3.750 40 0 IHABHN CCn1cc(S(=O)(=O)N2CC[C@@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)c(C)n1 ZINC000257215816 568672295 /nfs/dbraw/zinc/67/22/95/568672295.db2.gz CRTYFVUDNODSKX-QGZVFWFLSA-N 0 3 443.548 3.976 40 0 IHABHN CN(C)CCN(CCO)C(=O)CCc1ccc2c(c1)C[C@@](C)(Cc1ccc(Cl)cc1)O2 ZINC000257218014 568673406 /nfs/dbraw/zinc/67/34/06/568673406.db2.gz DBNGMJCMKCQRIC-RUZDIDTESA-N 0 3 445.003 3.591 40 0 IHABHN COc1cccc(Nc2cc(C)nc([C@H]3CCN(C(=O)CCn4ccccc4=O)C3)c2)c1 ZINC000257320955 568720271 /nfs/dbraw/zinc/72/02/71/568720271.db2.gz VZMBRRNXRPHQSV-IBGZPJMESA-N 0 3 432.524 3.710 40 0 IHABHN CN(C)c1cc([C@@H]2CCCN(C(=O)C3(Cc4ccccc4F)CCN(C)CC3)C2)ccn1 ZINC000257324328 568721875 /nfs/dbraw/zinc/72/18/75/568721875.db2.gz WOENORRYRUTLFN-JOCHJYFZSA-N 0 3 438.591 3.947 40 0 IHABHN Cc1nc2cc([C@H]3CCN(Cc4ccc(F)cc4)C3)nn2c(C)c1CCC(=O)NC(C)C ZINC000257338610 568728064 /nfs/dbraw/zinc/72/80/64/568728064.db2.gz YYECKKBLKYTOQB-FQEVSTJZSA-N 0 3 437.563 3.932 40 0 IHABHN CCCc1cc(Nc2ncc(C)s2)nc(C2CCN(C(=O)[C@H]3CCCCN3)CC2)n1 ZINC000257342145 568729401 /nfs/dbraw/zinc/72/94/01/568729401.db2.gz ZNGLZZDSJWWQDL-GOSISDBHSA-N 0 3 428.606 3.786 40 0 IHABHN Cc1ccc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccccc2)C3=O)s1 ZINC000306123355 568762526 /nfs/dbraw/zinc/76/25/26/568762526.db2.gz AKWSGNDEJDIKAF-UKILVPOCSA-N 0 3 433.577 3.849 40 0 IHABHN Cc1cccc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccccc2)C3=O)c1 ZINC000306128267 568765178 /nfs/dbraw/zinc/76/51/78/568765178.db2.gz GVRFGIBNRRLICG-XNMGPUDCSA-N 0 3 427.548 3.787 40 0 IHABHN O=C1N(Cc2ccsc2)CCO[C@@]12CN(Cc1ccsc1)C[C@H]2c1cccnc1 ZINC000306128469 568765240 /nfs/dbraw/zinc/76/52/40/568765240.db2.gz HAZXZJMYRAXVRQ-RBBKRZOGSA-N 0 3 425.579 3.602 40 0 IHABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3ccccc3Cl)C[C@@H]1C2 ZINC000306132784 568767392 /nfs/dbraw/zinc/76/73/92/568767392.db2.gz LSBDLSCRGZKHOH-JKSUJKDBSA-N 0 3 425.895 3.627 40 0 IHABHN O=C1N(Cc2ccccc2)CCO[C@@]12CN(Cc1cccc(F)c1)C[C@@H]2c1cccnc1 ZINC000306143523 568773093 /nfs/dbraw/zinc/77/30/93/568773093.db2.gz YEPMFWPJJIPTDD-AOYPEHQESA-N 0 3 431.511 3.618 40 0 IHABHN CN(C)CCNc1nc(Nc2cccc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329017371 568809508 /nfs/dbraw/zinc/80/95/08/568809508.db2.gz NLBBDAAINSFIEX-UHFFFAOYSA-N 0 3 435.425 3.742 40 0 IHABHN CN(C)CCNc1nc(NCc2ccc(F)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329069985 568811201 /nfs/dbraw/zinc/81/12/01/568811201.db2.gz ZBYZUKIFQDQXIN-UHFFFAOYSA-N 0 3 449.452 3.611 40 0 IHABHN COCc1cc(CN2CC[C@@H](c3nc(C)c4c(n3)N(C)C(=O)CC4)C2)ccc1OC(C)C ZINC000019739004 569236297 /nfs/dbraw/zinc/23/62/97/569236297.db2.gz HMVKPFWEMKBSKP-LJQANCHMSA-N 0 3 438.572 3.617 40 0 IHABHN CC[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856964 569249261 /nfs/dbraw/zinc/24/92/61/569249261.db2.gz HIIKNYLMPWCYKL-SIKLNZKXSA-N 0 3 432.561 3.709 40 0 IHABHN CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218648275 569459007 /nfs/dbraw/zinc/45/90/07/569459007.db2.gz PTUHUWYTHYZGFD-HFMPRLQTSA-N 0 3 444.597 3.719 40 0 IHABHN Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2ccncc2)nc(NCCN(C)C)n1 ZINC000328979959 569584048 /nfs/dbraw/zinc/58/40/48/569584048.db2.gz GJCVSGCTXJOYEZ-UHFFFAOYSA-N 0 3 432.450 4.463 40 0 IHABHN O=C(NC1CC1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1 ZINC000008299320 291374925 /nfs/dbraw/zinc/37/49/25/291374925.db2.gz BGAKYQBRRNZQRU-QTJGBDASSA-N 0 3 427.552 3.601 40 0 biogenic,in-vitro IHABHN CC(C)Oc1ccc(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)cc1 ZINC000012220282 519779087 /nfs/dbraw/zinc/77/90/87/519779087.db2.gz AREWWOPZIZEVRC-UHFFFAOYSA-N 0 3 439.581 3.786 40 0 IHABHN COc1ccc(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)c(C)c1C ZINC000012186616 524024056 /nfs/dbraw/zinc/02/40/56/524024056.db2.gz KXVKHSZSKMNQFL-UHFFFAOYSA-N 0 3 439.581 3.624 40 0 IHABHN Cc1ccccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NCCN(C)C)n1 ZINC000328956379 525226019 /nfs/dbraw/zinc/22/60/19/525226019.db2.gz AFRUNLDXBUVGMG-UHFFFAOYSA-N 0 3 431.462 3.912 40 0 IHABHN CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000039742707 556438133 /nfs/dbraw/zinc/43/81/33/556438133.db2.gz KEMIQPGKTFDFGE-UHFFFAOYSA-N 0 3 443.613 3.876 40 0 IHABHN O=C(NCc1ccc(CN2CCOCC2)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000038831283 556621620 /nfs/dbraw/zinc/62/16/20/556621620.db2.gz ZYLPSFAXQKRERB-UHFFFAOYSA-N 0 3 442.003 3.701 40 0 IHABHN CC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000019022373 556694271 /nfs/dbraw/zinc/69/42/71/556694271.db2.gz GNLMBSOASQKPCZ-RTWAWAEBSA-N 0 3 430.932 3.683 40 0 IHABHN Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(NC(=O)C4CC4)cc3)CC1)O2 ZINC000019219262 556713734 /nfs/dbraw/zinc/71/37/34/556713734.db2.gz CWBYIGABAUUDPH-PKTZIBPZSA-N 0 3 436.552 3.728 40 0 IHABHN CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cccc(-n2cnnc2)c1 ZINC000257303983 556717845 /nfs/dbraw/zinc/71/78/45/556717845.db2.gz SJOUMZLWUOWMIE-AMVJKZIMSA-N 0 3 441.579 3.966 40 0 IHABHN Cc1ccccc1C1(O)CCN(C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)C)CC1 ZINC000019236912 556721924 /nfs/dbraw/zinc/72/19/24/556721924.db2.gz GKJSXIBMCATYHL-RUZDIDTESA-N 0 3 436.596 3.947 40 0 IHABHN CC(=O)Nc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)cc1 ZINC000101180475 556722910 /nfs/dbraw/zinc/72/29/10/556722910.db2.gz IZFKBBWLZQVYJB-VABKMULXSA-N 0 3 445.450 3.835 40 0 IHABHN COc1ccccc1CN1CCC[C@@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019290181 556730157 /nfs/dbraw/zinc/73/01/57/556730157.db2.gz JVDZRRHLBCPQAF-HXUWFJFHSA-N 0 3 432.572 3.866 40 0 IHABHN O=C(c1cccc(F)c1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019293542 556733187 /nfs/dbraw/zinc/73/31/87/556733187.db2.gz KHQJABSVCBTSBE-JOCHJYFZSA-N 0 3 438.547 3.825 40 0 IHABHN O=C(c1cccc(F)c1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019293542 556733190 /nfs/dbraw/zinc/73/31/90/556733190.db2.gz KHQJABSVCBTSBE-JOCHJYFZSA-N 0 3 438.547 3.825 40 0 IHABHN O=C(c1cccs1)N1CCc2nc([C@@H]3CCC[N@H+](C[C@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000019342770 556740730 /nfs/dbraw/zinc/74/07/30/556740730.db2.gz WKAOEZGAOOTWFQ-ZWKOTPCHSA-N 0 3 438.597 3.566 40 0 IHABHN O=C(c1cccs1)N1CCc2nc([C@@H]3CCC[N@@H+](C[C@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000019342770 556740734 /nfs/dbraw/zinc/74/07/34/556740734.db2.gz WKAOEZGAOOTWFQ-ZWKOTPCHSA-N 0 3 438.597 3.566 40 0 IHABHN O=C(NC1CCCCC1)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019372466 556748826 /nfs/dbraw/zinc/74/88/26/556748826.db2.gz FADPQCMFNKXYGZ-GOTSBHOMSA-N 0 3 433.600 3.741 40 0 IHABHN COc1ccc2cc(C(=O)N3CCCC[C@H]3c3nc4c(c(=O)[n-]3)CC[N@@H+](C(C)C)C4)[nH]c2c1 ZINC000019448363 556758121 /nfs/dbraw/zinc/75/81/21/556758121.db2.gz ZJXVNPKFWGGEFS-QFIPXVFZSA-N 0 3 449.555 3.806 40 0 IHABHN COc1ccc2cc(C(=O)N3CCCC[C@H]3c3nc4c(c(=O)[n-]3)CC[N@H+](C(C)C)C4)[nH]c2c1 ZINC000019448363 556758123 /nfs/dbraw/zinc/75/81/23/556758123.db2.gz ZJXVNPKFWGGEFS-QFIPXVFZSA-N 0 3 449.555 3.806 40 0 IHABHN C[C@@H]1Cc2cc([C@H](O)CN3CC=C(c4ccc(Cl)cc4)CC3)ccc2N1S(C)(=O)=O ZINC000019497849 556770270 /nfs/dbraw/zinc/77/02/70/556770270.db2.gz PYPHQEWBAGWPNV-WAIKUNEKSA-N 0 3 447.000 3.873 40 0 IHABHN CCCOc1ccccc1CN1CCC(O)(Cn2cnc3sc(C)c(C)c3c2=O)CC1 ZINC000019525162 556782614 /nfs/dbraw/zinc/78/26/14/556782614.db2.gz RILAJGTZSQRPJI-UHFFFAOYSA-N 0 3 441.597 3.891 40 0 IHABHN COc1ccc(OC)c(CN2CC[C@@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c1 ZINC000019551417 556795596 /nfs/dbraw/zinc/79/55/96/556795596.db2.gz IGRACLSGJMTQQR-SANMLTNESA-N 0 3 431.536 3.686 40 0 IHABHN Cc1c(CN2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCC4)n3)C2)oc2ccccc12 ZINC000019566400 556807105 /nfs/dbraw/zinc/80/71/05/556807105.db2.gz LLGJJXGUUPPALH-SFTDATJTSA-N 0 3 447.583 3.872 40 0 IHABHN COc1c(CN2CC[C@](Cc3ccc(-c4ccccc4)cc3)(C(=O)N(C)C)C2)c(C)nn1C ZINC000019577924 556815427 /nfs/dbraw/zinc/81/54/27/556815427.db2.gz RHSYSZFZCMRXOI-HHHXNRCGSA-N 0 3 446.595 3.927 40 0 IHABHN COc1ccc(CN2CCC(O)(Cn3cnc4sc(C)c(C)c4c3=O)CC2)c(C)c1C ZINC000019577298 556815550 /nfs/dbraw/zinc/81/55/50/556815550.db2.gz OXTLUUFFTLJOTG-UHFFFAOYSA-N 0 3 441.597 3.727 40 0 IHABHN CCN1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NCC(C)C ZINC000004217060 556821246 /nfs/dbraw/zinc/82/12/46/556821246.db2.gz SDHVSIPYBFUEHI-OAQYLSRUSA-N 0 3 428.646 3.962 40 0 IHABHN C[NH+]1CCC(c2nc([C@H]3CCCN(C(=O)c4cccc5ncccc54)C3)cc(=O)[n-]2)CC1 ZINC000019588212 556823998 /nfs/dbraw/zinc/82/39/98/556823998.db2.gz QTYPRCQZISCZQM-SFHVURJKSA-N 0 3 431.540 3.559 40 0 IHABHN CC[C@H](C(=O)N1CCC(c2ccc(C(=O)N3CCCCC3)cn2)CC1)N1CCCCC1 ZINC000019708358 556868695 /nfs/dbraw/zinc/86/86/95/556868695.db2.gz SODPFGYURGNKJJ-HSZRJFAPSA-N 0 3 426.605 3.678 40 0 IHABHN CCN(CC)CC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)C(=O)CC2 ZINC000019741696 556884553 /nfs/dbraw/zinc/88/45/53/556884553.db2.gz ZFNCIDQXHWAZJC-NRFANRHFSA-N 0 3 441.620 3.650 40 0 IHABHN CC(=O)N(C)Cc1cc(N(C)C)nc(C2CCN(Cc3ccccc3OC(C)C)CC2)n1 ZINC000019752045 556895899 /nfs/dbraw/zinc/89/58/99/556895899.db2.gz YKPCTQMNJHEANH-UHFFFAOYSA-N 0 3 439.604 3.688 40 0 IHABHN COc1cc(C)ccc1CN1CCC(Cc2nn(C)cc2C(=O)Nc2nccs2)CC1 ZINC000019756670 556900634 /nfs/dbraw/zinc/90/06/34/556900634.db2.gz KWVOEBLIKQXDJC-UHFFFAOYSA-N 0 3 439.585 3.901 40 0 IHABHN CCC(=O)N1CCc2cc([C@H](O)CN3CCC[C@](O)(c4ccc(F)cc4)CC3)ccc21 ZINC000072343044 556915062 /nfs/dbraw/zinc/91/50/62/556915062.db2.gz IKSYYFFPOGVAQM-ILBGXUMGSA-N 0 3 426.532 3.532 40 0 IHABHN COc1cccc(CN2CCC[C@H](c3cc(C(=O)NC4Cc5ccccc5C4)on3)C2)c1 ZINC000072352772 556925068 /nfs/dbraw/zinc/92/50/68/556925068.db2.gz XPGQKUDOMPLSGW-NRFANRHFSA-N 0 3 431.536 3.960 40 0 IHABHN COc1cc2c(cc1CN1CCC[C@@H](c3cc(-c4cnc(N)nc4)cc(C)n3)C1)OCCO2 ZINC000072353764 556928002 /nfs/dbraw/zinc/92/80/02/556928002.db2.gz UPKVTIYWEFJYIR-QGZVFWFLSA-N 0 3 447.539 3.589 40 0 IHABHN CCn1nc(C)c(CN2CCC(c3nc(C)c4c(n3)N(CC(C)C)C(=O)CC4)CC2)c1C ZINC000072371173 556937640 /nfs/dbraw/zinc/93/76/40/556937640.db2.gz IXUQWJXFYWSXAG-UHFFFAOYSA-N 0 3 438.620 3.933 40 0 IHABHN CC(C)C(=O)N1CCC(c2nc([C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)cc(=O)[n-]2)CC1 ZINC000072399210 556971767 /nfs/dbraw/zinc/97/17/67/556971767.db2.gz OBNBZOKNHGNGCS-HXUWFJFHSA-N 0 3 440.563 3.651 40 0 IHABHN CC(C)C(=O)N1CCC(c2nc([C@@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)cc(=O)[n-]2)CC1 ZINC000072399210 556971769 /nfs/dbraw/zinc/97/17/69/556971769.db2.gz OBNBZOKNHGNGCS-HXUWFJFHSA-N 0 3 440.563 3.651 40 0 IHABHN CC(=O)Nc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)cc1 ZINC000102759234 557132301 /nfs/dbraw/zinc/13/23/01/557132301.db2.gz IZFKBBWLZQVYJB-XPWALMASSA-N 0 3 445.450 3.835 40 0 IHABHN CCN(CCN(C)C)C(=O)c1cnc(-c2noc3cc(N4CCCCC4)ccc32)s1 ZINC000096154627 557178572 /nfs/dbraw/zinc/17/85/72/557178572.db2.gz RJSPKRADNIKODN-UHFFFAOYSA-N 0 3 427.574 3.965 40 0 IHABHN Cc1ccc(OCC2(O)CCN(Cc3cccc(OCCn4cccn4)c3)CC2)c(C)c1 ZINC000585271529 557213244 /nfs/dbraw/zinc/21/32/44/557213244.db2.gz AJPBLKQWMGVILI-UHFFFAOYSA-N 0 3 435.568 3.985 40 0 IHABHN Cc1nccn1CCOc1cccc(CN2CCC(O)(COc3ccc(C)cc3)CC2)c1 ZINC000585274236 557218318 /nfs/dbraw/zinc/21/83/18/557218318.db2.gz XUQUQUSQQNFZLW-UHFFFAOYSA-N 0 3 435.568 3.985 40 0 IHABHN CCOc1ncc([C@]2(O)CC[C@@H]3CN(Cc4cccc(OC(C)C)c4)C[C@@H]32)c(OCC)n1 ZINC000057773891 557263279 /nfs/dbraw/zinc/26/32/79/557263279.db2.gz GDZNPJKSHQYXBX-RZTXVSJASA-N 0 3 441.572 3.791 40 0 IHABHN CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4cccc(OC(C)C)c4)C[C@@H]32)c(OCC)n1 ZINC000057773884 557263313 /nfs/dbraw/zinc/26/33/13/557263313.db2.gz GDZNPJKSHQYXBX-KIVTUJJHSA-N 0 3 441.572 3.791 40 0 IHABHN COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(OC)c(C)c2C)C1 ZINC000057774138 557264059 /nfs/dbraw/zinc/26/40/59/557264059.db2.gz VZBYVNVCVOECGM-OFVILXPXSA-N 0 3 425.573 3.813 40 0 IHABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C ZINC000225716222 557767766 /nfs/dbraw/zinc/76/77/66/557767766.db2.gz UYYAKRQGODBTNI-INIZCTEOSA-N 0 3 425.620 3.577 40 0 IHABHN CCS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3ccccc3C)CC2)o1 ZINC000257202843 568666403 /nfs/dbraw/zinc/66/64/03/568666403.db2.gz ANQZFJYCKPDKBU-FQEVSTJZSA-N 0 3 432.590 3.634 40 0 IHABHN Cc1c(S(=O)(=O)N2CCC[C@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)cnn1C ZINC000257208433 568668916 /nfs/dbraw/zinc/66/89/16/568668916.db2.gz BMDTVFVJJOQKCB-KRWDZBQOSA-N 0 3 443.548 3.883 40 0 IHABHN CCn1cc(S(=O)(=O)N2CC[C@H](c3cc(Nc4ccc(F)cc4)cc(C)n3)C2)c(C)n1 ZINC000257224583 568676322 /nfs/dbraw/zinc/67/63/22/568676322.db2.gz FCKOXJJFEBHTNQ-KRWDZBQOSA-N 0 3 443.548 3.976 40 0 IHABHN COc1cccc(CN2CC[C@H](c3cc4nc(C)c(CCC(=O)NC(C)C)c(C)n4n3)C2)c1 ZINC000257246297 568686597 /nfs/dbraw/zinc/68/65/97/568686597.db2.gz ITMMKNUNYVPAAG-NRFANRHFSA-N 0 3 449.599 3.801 40 0 IHABHN CCc1ccc(CN2CCC(c3nnc([C@@H]4CCCCN4S(=O)(=O)CC)o3)CC2)cc1 ZINC000257247350 568687276 /nfs/dbraw/zinc/68/72/76/568687276.db2.gz IYPCGYJYEDDURV-NRFANRHFSA-N 0 3 446.617 3.888 40 0 IHABHN COc1cccc(Nc2cc(C)nc([C@H]3CCN(S(=O)(=O)c4c(C)noc4C)C3)c2)c1 ZINC000257267156 568696511 /nfs/dbraw/zinc/69/65/11/568696511.db2.gz MGEDTFDJSQNIOQ-KRWDZBQOSA-N 0 3 442.541 3.925 40 0 IHABHN O=C1N(Cc2ccccc2)CCO[C@@]12CN(Cc1cccc(F)c1)C[C@H]2c1cccnc1 ZINC000306143524 568773234 /nfs/dbraw/zinc/77/32/34/568773234.db2.gz YEPMFWPJJIPTDD-AZGAKELHSA-N 0 3 431.511 3.618 40 0 IHABHN COc1ccc(CN2CCC[C@H]([C@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C2)c(C)c1C ZINC000247913539 569206584 /nfs/dbraw/zinc/20/65/84/569206584.db2.gz VNYUVYKEONCXHA-GPUOULLFSA-N 0 3 437.584 3.956 40 0 IHABHN C[C@@H](C(=O)c1ccc(F)cc1)N1CCC(O)(CN2CCCC[C@H]2c2cccnc2)CC1 ZINC000253371730 569208502 /nfs/dbraw/zinc/20/85/02/569208502.db2.gz CDHKEHPWTKXFLB-CVDCTZTESA-N 0 3 425.548 3.846 40 0 IHABHN CCN(Cc1cnn(C)c1)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3nccs3)cc2)C1 ZINC000019712719 569235479 /nfs/dbraw/zinc/23/54/79/569235479.db2.gz RJBCWEXCPLDJBN-UXHICEINSA-N 0 3 425.558 3.871 40 0 IHABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218634008 569458928 /nfs/dbraw/zinc/45/89/28/569458928.db2.gz OFWVXHUKENCCBU-BBTUJRGHSA-N 0 3 436.961 3.502 40 0 IHABHN CN1CCN(c2ccc(-c3noc([C@@H]4CCCN4CCCc4ccccc4)n3)cn2)CC1 ZINC000049155119 291368341 /nfs/dbraw/zinc/36/83/41/291368341.db2.gz KZWLLKLUNUUFAO-QFIPXVFZSA-N 0 3 432.572 3.653 40 0 biogenic,in-vitro IHABHN c1nc2n(c1-c1ccc3c(c1)OCCO3)C[C@H](CNCc1cnc3ccccc3c1)OC2 ZINC000096296444 291377211 /nfs/dbraw/zinc/37/72/11/291377211.db2.gz MLYUPJHFCWARPR-FQEVSTJZSA-N 0 3 428.492 3.558 40 0 biogenic,in-vitro IHABHN CC(C)N(Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)o1)C(C)C ZINC000012183585 519654132 /nfs/dbraw/zinc/65/41/32/519654132.db2.gz NFVJDMYIVUSEMS-UHFFFAOYSA-N 0 3 425.529 3.653 40 0 IHABHN CCN1CCN(CCCNC(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1 ZINC000022586314 521681120 /nfs/dbraw/zinc/68/11/20/521681120.db2.gz XTNZGMOLPACYLW-UHFFFAOYSA-N 0 3 428.577 3.648 40 0 IHABHN COc1ccccc1N(C[C@@H](O)CN1[C@@H](C)CCC[C@@H]1C)S(=O)(=O)c1ccccc1 ZINC000008754140 556210566 /nfs/dbraw/zinc/21/05/66/556210566.db2.gz KEEHFUFQYWCYRH-UFYCRDLUSA-N 0 3 432.586 3.514 40 0 IHABHN COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1Br ZINC000031075358 556519199 /nfs/dbraw/zinc/51/91/99/556519199.db2.gz JGXJYRCGXDRVJH-UHFFFAOYSA-N 0 3 439.375 3.532 40 0 IHABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC)c(Cl)c3)cc2)CC1 ZINC000032125413 556534946 /nfs/dbraw/zinc/53/49/46/556534946.db2.gz PXOWCVOICDUBIW-UHFFFAOYSA-N 0 3 432.977 3.617 40 0 IHABHN COCCCN1C(=O)C(CC(=O)Nc2cc(Cl)ccc2OC)n2c3ccccc3nc21 ZINC000032581140 556541849 /nfs/dbraw/zinc/54/18/49/556541849.db2.gz CPAHTPLXOBNYDA-SFHVURJKSA-N 0 3 442.903 3.651 40 0 IHABHN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)cc1 ZINC000100536432 556542864 /nfs/dbraw/zinc/54/28/64/556542864.db2.gz ARZHICNHPZMVIN-VJBWXMMDSA-N 0 3 430.460 3.755 40 0 IHABHN C[C@@H](C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)CC1)N1CCCC1 ZINC000019077891 556695115 /nfs/dbraw/zinc/69/51/15/556695115.db2.gz BJRXHDWKZORMAW-RYQLBKOJSA-N 0 3 437.579 3.894 40 0 IHABHN Cc1c2cc(C)ccc2oc1C(=O)N1CCC[C@@H](c2cc(=O)[n-]c(C3CC[NH+](C)CC3)n2)C1 ZINC000019220380 556715062 /nfs/dbraw/zinc/71/50/62/556715062.db2.gz BNFJNTSXNRAMJA-LJQANCHMSA-N 0 3 448.567 3.962 40 0 IHABHN CN(Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@H](O)Cn1ccc2ccccc21 ZINC000257310623 556718562 /nfs/dbraw/zinc/71/85/62/556718562.db2.gz UFXJRZRMRKJFRY-QHCPKHFHSA-N 0 3 435.568 3.526 40 0 IHABHN O=C(NCc1cccnc1)c1cc(C2CCN(Cc3ccnc4ccccc34)CC2)no1 ZINC000019376070 556751832 /nfs/dbraw/zinc/75/18/32/556751832.db2.gz DQTSTVZXDMYFQS-UHFFFAOYSA-N 0 3 427.508 3.927 40 0 IHABHN CCN(CCN(C)C)c1nc(-c2ccccn2)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000019526588 556784984 /nfs/dbraw/zinc/78/49/84/556784984.db2.gz JBMYXBIPHBGUIV-UHFFFAOYSA-N 0 3 434.563 3.624 40 0 IHABHN COc1ccc2c(c1)[nH]cc2[C@@H](O)CN1CCC2(CC1)C[C@H](O)c1cc(OC)ccc1O2 ZINC000019562183 556803554 /nfs/dbraw/zinc/80/35/54/556803554.db2.gz AXJSHCAYUXIJLL-GOTSBHOMSA-N 0 3 438.524 3.569 40 0 IHABHN COc1c(CN2CCC[C@@](Cc3ccc(-c4ccccc4)cc3)(C(N)=O)C2)c(C)nn1C ZINC000019577949 556815510 /nfs/dbraw/zinc/81/55/10/556815510.db2.gz WONMOBFJAGAMQU-SANMLTNESA-N 0 3 432.568 3.714 40 0 IHABHN C[NH+]1CCC(c2nc([C@@H]3CCCN(C(=O)c4cccc5ncccc54)C3)cc(=O)[n-]2)CC1 ZINC000019588210 556824006 /nfs/dbraw/zinc/82/40/06/556824006.db2.gz QTYPRCQZISCZQM-GOSISDBHSA-N 0 3 431.540 3.559 40 0 IHABHN CN(C)c1ncc(-c2ccc(N)nc2)c(C2CCN(CCOc3ccc(F)cc3)CC2)n1 ZINC000019694870 556851102 /nfs/dbraw/zinc/85/11/02/556851102.db2.gz DQRDSBYNQXKEST-UHFFFAOYSA-N 0 3 436.535 3.584 40 0 IHABHN Cc1ccccc1OCCNC(=O)c1ccc([C@@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000019706058 556863897 /nfs/dbraw/zinc/86/38/97/556863897.db2.gz SAGXRYBDZRUJKS-JOCHJYFZSA-N 0 3 430.552 3.973 40 0 IHABHN Cc1ccccc1OCCNC(=O)c1ccc([C@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000019706059 556864004 /nfs/dbraw/zinc/86/40/04/556864004.db2.gz SAGXRYBDZRUJKS-QFIPXVFZSA-N 0 3 430.552 3.973 40 0 IHABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)CCCc1ccc(F)c(C)c1)C2 ZINC000019710691 556874375 /nfs/dbraw/zinc/87/43/75/556874375.db2.gz RYOKOLWTYMGMLE-UHFFFAOYSA-N 0 3 439.579 3.683 40 0 IHABHN Cc1nc([C@H]2CCCN(C3CCOCC3)C2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019741347 556883361 /nfs/dbraw/zinc/88/33/61/556883361.db2.gz NCISMQHFZDIXAY-IBGZPJMESA-N 0 3 438.547 3.762 40 0 IHABHN Cc1nc([C@H]2CCCN2C(=O)CN2CCCCCC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000072345378 556916952 /nfs/dbraw/zinc/91/69/52/556916952.db2.gz IWGVZEADTLJPFI-OAQYLSRUSA-N 0 3 439.535 3.716 40 0 IHABHN CN1CCC(C(=O)N2CCC[C@@H](c3nc(N)ncc3-c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000072346259 556917716 /nfs/dbraw/zinc/91/77/16/556917716.db2.gz WWIZXGILYBVWCX-QGZVFWFLSA-N 0 3 447.505 3.792 40 0 IHABHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1cc(Cl)ccc1OC ZINC000019819073 556921642 /nfs/dbraw/zinc/92/16/42/556921642.db2.gz DZMGJMQMTGAYTQ-MRXNPFEDSA-N 0 3 428.872 3.787 40 0 IHABHN CCc1ccc(NC(=O)CC2C(=O)N(CCCn3ccnc3)c3nc4ccccc4n32)cc1 ZINC000019819467 556922728 /nfs/dbraw/zinc/92/27/28/556922728.db2.gz FEMLTSWYWYVEGG-QFIPXVFZSA-N 0 3 442.523 3.802 40 0 IHABHN CC(C)c1nccn1CC(=O)N1CC[C@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 ZINC000072371687 556940111 /nfs/dbraw/zinc/94/01/11/556940111.db2.gz OZYWRZHZQHAMKV-INIZCTEOSA-N 0 3 443.498 3.645 40 0 IHABHN c1ccc2c(c1)nnn2[C@H]([C@H](n1nnc2ccccc21)N1CCCCC1)N1CCCCC1 ZINC000022937488 557053397 /nfs/dbraw/zinc/05/33/97/557053397.db2.gz SQABCDAIPVEETJ-PSWAGMNNSA-N 0 3 430.560 3.845 40 0 IHABHN Cc1c(C)n(C[C@@H](O)CN(C)Cc2ccc(OCCN3CCCC3=O)cc2)c2ccccc12 ZINC000585270557 557150783 /nfs/dbraw/zinc/15/07/83/557150783.db2.gz MLLVJLLOYGPLJY-QHCPKHFHSA-N 0 3 449.595 3.752 40 0 IHABHN CN(C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)C3CCCCC3)CC2)c2ccccc21 ZINC000096242225 557185978 /nfs/dbraw/zinc/18/59/78/557185978.db2.gz DURQDRQOTNLQPP-OAQYLSRUSA-N 0 3 425.617 3.682 40 0 IHABHN O=S1(=O)c2ccccc2OCC2(CCN(CCc3ccccc3)CC2)CN1CC1CC1 ZINC000096263540 557191400 /nfs/dbraw/zinc/19/14/00/557191400.db2.gz XOFSMJNAGTWQAN-UHFFFAOYSA-N 0 3 440.609 3.805 40 0 IHABHN CN(CCc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000585262260 557201589 /nfs/dbraw/zinc/20/15/89/557201589.db2.gz BAGGTXOVEUDTGE-LUKWVAJMSA-N 0 3 426.557 3.635 40 0 IHABHN CCOc1ncc([C@@]2(O)CC[C@H]3CN(Cc4cccc(OC(C)C)c4)C[C@@H]32)c(OCC)n1 ZINC000057773887 557263266 /nfs/dbraw/zinc/26/32/66/557263266.db2.gz GDZNPJKSHQYXBX-JTJYXVOQSA-N 0 3 441.572 3.791 40 0 IHABHN N[C@H](Cc1ccc(F)cc1)C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3ccccn3)n2)CC1 ZINC000100708847 557270793 /nfs/dbraw/zinc/27/07/93/557270793.db2.gz BBVQRJGUBKOXEV-SVFBPWRDSA-N 0 3 448.546 3.714 40 0 IHABHN Fc1ccccc1[C@@H](c1nnnn1Cc1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000022929208 557277459 /nfs/dbraw/zinc/27/74/59/557277459.db2.gz APFJSBYZPQULQS-DEOSSOPVSA-N 0 3 434.563 3.900 40 0 IHABHN CCOC(=O)c1cccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000225773170 557775579 /nfs/dbraw/zinc/77/55/79/557775579.db2.gz VLJPVMSAABYMQO-UHFFFAOYSA-N 0 3 427.570 3.823 40 0 IHABHN COCCOc1cc(CN2CCC[C@](O)(COc3ccccc3F)CC2)ccc1OC ZINC000585269998 568616822 /nfs/dbraw/zinc/61/68/22/568616822.db2.gz AESWWJSSUMPXSV-XMMPIXPASA-N 0 3 433.520 3.656 40 0 IHABHN OC1(COc2ccccc2F)CCN(Cc2cccc(OCCCn3cccn3)c2)CC1 ZINC000585274627 568618335 /nfs/dbraw/zinc/61/83/35/568618335.db2.gz XTTRXIFWXMFNJF-UHFFFAOYSA-N 0 3 439.531 3.897 40 0 IHABHN Cc1cccc(CN2CC[C@@H](c3nc(C)c(CC(=O)NCc4ccc(F)cc4)c(C)n3)C2)n1 ZINC000257211038 568670013 /nfs/dbraw/zinc/67/00/13/568670013.db2.gz BXHHTKRJXPTJEL-OAQYLSRUSA-N 0 3 447.558 3.784 40 0 IHABHN COCCOc1ccc(CN2CCC[C@H](c3n[nH]cc3C(=O)N3CCCCCC3)C2)cc1 ZINC000257241228 568684396 /nfs/dbraw/zinc/68/43/96/568684396.db2.gz HXFKGXAJRHGRLT-NRFANRHFSA-N 0 3 440.588 3.831 40 0 IHABHN CCN(C(=O)c1c[nH]nc1C1CCN(C(=O)CN2CCCCCC2)CC1)c1ccccc1 ZINC000257242636 568684888 /nfs/dbraw/zinc/68/48/88/568684888.db2.gz IDKKPDWOOVHEEM-UHFFFAOYSA-N 0 3 437.588 3.658 40 0 IHABHN CCCn1c2ccc(NC(=O)CN3C[C@H]4[C@@H](C3)CCC[C@@H]4Cc3cccnc3)cc2oc1=O ZINC000257290289 568706908 /nfs/dbraw/zinc/70/69/08/568706908.db2.gz QCHGSXWONSRQTC-KCZVDYSFSA-N 0 3 448.567 3.929 40 0 IHABHN COc1ccccc1-c1cccc([C@H]2CCCN(Cc3ccnc(N4CCOCC4)n3)C2)n1 ZINC000257328335 568723584 /nfs/dbraw/zinc/72/35/84/568723584.db2.gz XFEUPVMELONRDW-FQEVSTJZSA-N 0 3 445.567 3.763 40 0 IHABHN COc1ccccc1-c1cccc([C@@H]2CCCN(Cc3ccnc(N4CCOCC4)n3)C2)n1 ZINC000257328336 568723645 /nfs/dbraw/zinc/72/36/45/568723645.db2.gz XFEUPVMELONRDW-HXUWFJFHSA-N 0 3 445.567 3.763 40 0 IHABHN COc1cccc(Nc2cc(C)nc([C@@H]3CCCN(S(=O)(=O)N4CCCC4)C3)c2)c1 ZINC000257344184 568730206 /nfs/dbraw/zinc/73/02/06/568730206.db2.gz ZWCIYPLQUSPOHA-GOSISDBHSA-N 0 3 430.574 3.662 40 0 IHABHN Cc1ccc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccsc2)C3=O)s1 ZINC000306127616 568764742 /nfs/dbraw/zinc/76/47/42/568764742.db2.gz GDOQMCWZXNDYTF-GMAHTHKFSA-N 0 3 439.606 3.910 40 0 IHABHN CC(C)n1nccc1[C@H]1CN(C(c2ccccc2)c2ccccc2)C[C@@]12OCCN(C)C2=O ZINC000306131210 568766765 /nfs/dbraw/zinc/76/67/65/568766765.db2.gz JYPSHEJIKUOVIO-YIXXDRMTSA-N 0 3 444.579 3.880 40 0 IHABHN Cc1cccc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccsc2)C3=O)c1 ZINC000306137104 568769859 /nfs/dbraw/zinc/76/98/59/568769859.db2.gz QLOMMCQCVOCDBE-ILBGXUMGSA-N 0 3 433.577 3.849 40 0 IHABHN CN(C)CCNc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(C2CC2)n1 ZINC000329009720 568809289 /nfs/dbraw/zinc/80/92/89/568809289.db2.gz LXQCEXBFUSRXDU-UHFFFAOYSA-N 0 3 444.299 3.696 40 0 IHABHN CN(C)CCNc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(C2CC2)n1 ZINC000329024878 568809710 /nfs/dbraw/zinc/80/97/10/568809710.db2.gz PCVIDLOFFXKDMT-UHFFFAOYSA-N 0 3 444.299 3.696 40 0 IHABHN O=S1(=O)CC[C@H](N(CCNCc2ccccc2Cl)Cc2ccccc2Cl)C1 ZINC000575420901 568862914 /nfs/dbraw/zinc/86/29/14/568862914.db2.gz KWZJJPYXUNQCFC-SFHVURJKSA-N 0 3 427.397 3.772 40 0 IHABHN COc1cc(OC)c(NC(=O)NCCNc2cc(N3CCCCC3)nc(C)n2)cc1Cl ZINC000224138968 568906453 /nfs/dbraw/zinc/90/64/53/568906453.db2.gz FTHOCXDZHYWNNC-UHFFFAOYSA-N 0 3 448.955 3.680 40 0 IHABHN C[C@@H]1Cc2cc(CN3CCC[C@H]([C@@H](NC(=O)[C@H]4CCCO4)c4ccccn4)C3)ccc2O1 ZINC000253594335 569208980 /nfs/dbraw/zinc/20/89/80/569208980.db2.gz YNDJUFYEHGEVFJ-ASPMUGLBSA-N 0 3 435.568 3.654 40 0 IHABHN COc1ccc2c(c1)[C@H]1C[C@](C)(NC(=O)C1S(=O)(=O)c1ccc(C(C)(C)C)cc1)O2 ZINC000009407634 569215178 /nfs/dbraw/zinc/21/51/78/569215178.db2.gz HXMNWPBJRRRFTN-QMHWCDLVSA-N 0 3 429.538 3.547 40 0 IHABHN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063638 569219975 /nfs/dbraw/zinc/21/99/75/569219975.db2.gz PTABOQHRTHHIAK-NRFANRHFSA-N 0 3 439.531 3.585 40 0 IHABHN CNCc1cc(N(C)C)nc([C@H]2CCCN2C(=O)c2oc3ccc(Cl)cc3c2C)n1 ZINC000019760500 569328716 /nfs/dbraw/zinc/32/87/16/569328716.db2.gz PXQYKOJJBWPGRN-QGZVFWFLSA-N 0 3 427.936 3.947 40 0 IHABHN COc1ccc(CN2CC[C@@H](c3ncc(C(=O)NCc4cccc(OC)c4)c(C)n3)C2)cc1 ZINC000019758238 569328780 /nfs/dbraw/zinc/32/87/80/569328780.db2.gz GPIMXZJDMRITEF-OAQYLSRUSA-N 0 3 446.551 3.722 40 0 IHABHN Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2ccccn2)nc(NCCN(C)C)n1 ZINC000328970342 569584018 /nfs/dbraw/zinc/58/40/18/569584018.db2.gz DJGFJGUFYBTKOG-UHFFFAOYSA-N 0 3 432.450 4.463 40 0 IHABHN COc1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccccc3)nn2C)cc1 ZINC000008635324 291370873 /nfs/dbraw/zinc/37/08/73/291370873.db2.gz LJFVCKUNEMNYEF-XJUOHMSHSA-N 0 3 430.552 3.704 40 0 biogenic,in-vitro IHABHN COc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000012707847 525476643 /nfs/dbraw/zinc/47/66/43/525476643.db2.gz DNXMMFWIJAWTHO-UHFFFAOYSA-N 0 3 438.503 3.806 40 0 IHABHN COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]3CCCN3[C@@]23c2cc(C)cc(C)c2NC3=O)c1 ZINC000008972286 556237611 /nfs/dbraw/zinc/23/76/11/556237611.db2.gz LLXSEQNQXCDXQL-JIZVJVNCSA-N 0 3 435.524 3.591 40 0 IHABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000100934150 556612087 /nfs/dbraw/zinc/61/20/87/556612087.db2.gz RIWJAXKQAMZFDW-ZRBLBEILSA-N 0 3 430.460 3.842 40 0 IHABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccnc4)[C@@H]3C2=O)cc1 ZINC000101033105 556652561 /nfs/dbraw/zinc/65/25/61/556652561.db2.gz CGDNNSCPXPIDBQ-ZRBLBEILSA-N 0 3 429.476 3.922 40 0 IHABHN CN(Cc1ccc(OCCF)cc1)C[C@@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000257296290 556716735 /nfs/dbraw/zinc/71/67/35/556716735.db2.gz RCBSJURUGAFUIU-MRXNPFEDSA-N 0 3 425.426 3.896 40 0 IHABHN COc1cc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)ccc1OC1CCCC1 ZINC000019291376 556731474 /nfs/dbraw/zinc/73/14/74/556731474.db2.gz GXDDUQLLUBJEHR-WPUZRXDDSA-N 0 3 425.573 3.870 40 0 IHABHN CCOc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3cccc(C)c3)cc2c1 ZINC000000884951 556734911 /nfs/dbraw/zinc/73/49/11/556734911.db2.gz JIHDHTXLFYFEKJ-UHFFFAOYSA-N 0 3 438.597 3.996 40 0 IHABHN CC(C)N1CCc2c(=O)[nH]c([C@H]3CCCN3C(=O)c3cc4cc(F)ccc4n3C)nc2C1 ZINC000019448407 556757869 /nfs/dbraw/zinc/75/78/69/556757869.db2.gz HPXDFKPDHYCNLK-HXUWFJFHSA-N 0 3 437.519 3.557 40 0 IHABHN COc1ccc2cc(C(=O)N3CCCC[C@@H]3c3nc4c(c(=O)[n-]3)CC[N@@H+](C(C)C)C4)[nH]c2c1 ZINC000019448361 556757964 /nfs/dbraw/zinc/75/79/64/556757964.db2.gz ZJXVNPKFWGGEFS-JOCHJYFZSA-N 0 3 449.555 3.806 40 0 IHABHN COc1ccc2cc(C(=O)N3CCCC[C@@H]3c3nc4c(c(=O)[n-]3)CC[N@H+](C(C)C)C4)[nH]c2c1 ZINC000019448361 556757966 /nfs/dbraw/zinc/75/79/66/556757966.db2.gz ZJXVNPKFWGGEFS-JOCHJYFZSA-N 0 3 449.555 3.806 40 0 IHABHN CCC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1 ZINC000019499324 556771178 /nfs/dbraw/zinc/77/11/78/556771178.db2.gz WJBWBACQVGDOPO-NHCUHLMSSA-N 0 3 428.504 3.558 40 0 IHABHN COc1ccc(CN2CC[C@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c(OC)c1 ZINC000019552192 556795925 /nfs/dbraw/zinc/79/59/25/556795925.db2.gz FIVBLKSYHMHBOJ-AREMUKBSSA-N 0 3 431.536 3.686 40 0 IHABHN Cc1nc([C@H]2CCCN(C3CCOCC3)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019741415 556883752 /nfs/dbraw/zinc/88/37/52/556883752.db2.gz OJVJXVMGPJEGMN-IBGZPJMESA-N 0 3 438.547 3.762 40 0 IHABHN C[C@@H]1Cc2cc(CN3CCC[C@H]([C@H](NC(=O)[C@@H]4CCCO4)c4ccccn4)C3)ccc2O1 ZINC000072330606 556906903 /nfs/dbraw/zinc/90/69/03/556906903.db2.gz YNDJUFYEHGEVFJ-ZKSSIVGNSA-N 0 3 435.568 3.654 40 0 IHABHN CCc1cc(N2CCOCC2)nc(C2=CCN(C[C@H](O)c3ccc4ccccc4c3)CC2)n1 ZINC000072339550 556911691 /nfs/dbraw/zinc/91/16/91/556911691.db2.gz DTQVKVXGIZPSIC-VWLOTQADSA-N 0 3 444.579 3.852 40 0 IHABHN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCN5CCC[C@@H]5C4)c3N2)cc1 ZINC000015931279 556985749 /nfs/dbraw/zinc/98/57/49/556985749.db2.gz GQFMRZHRGJJHOH-QRQLOZEOSA-N 0 3 433.478 3.772 40 0 IHABHN Cn1ccnc1COc1ccc(CN2CCC[C@@](O)(COc3ccccc3F)CC2)cc1 ZINC000585271410 557214610 /nfs/dbraw/zinc/21/46/10/557214610.db2.gz YDQDKKXDKFPANE-VWLOTQADSA-N 0 3 439.531 3.934 40 0 IHABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc(Br)cc3)CC1)C[C@@H]2O ZINC000013998238 557402539 /nfs/dbraw/zinc/40/25/39/557402539.db2.gz WFMHTROHQNRTAM-VQTJNVASSA-N 0 3 448.357 3.842 40 0 IHABHN COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(Br)cc3)CC1)O2 ZINC000013998258 557402942 /nfs/dbraw/zinc/40/29/42/557402942.db2.gz NZSQSJHSOGLQLC-PMACEKPBSA-N 0 3 448.357 3.842 40 0 IHABHN O=C1CCCC[C@]2(CN(Cc3ccc(Oc4ncccn4)cc3)C[C@H]2c2ccccn2)N1 ZINC000019402267 568613158 /nfs/dbraw/zinc/61/31/58/568613158.db2.gz ZQRXFTAGGALTHH-SQJMNOBHSA-N 0 3 429.524 3.692 40 0 IHABHN COCCOc1cccc(CN2CCC[C@H](c3n[nH]cc3C(=O)N3CCCCCC3)C2)c1 ZINC000257206741 568668178 /nfs/dbraw/zinc/66/81/78/568668178.db2.gz BESXGFYTMAEACI-NRFANRHFSA-N 0 3 440.588 3.831 40 0 IHABHN COc1ccc(OCCN2CC[C@@H](c3c4cccnc4sc3C(=O)N(C)C)C2)cc1 ZINC000257216707 568672930 /nfs/dbraw/zinc/67/29/30/568672930.db2.gz CVTNPPCLLAKIHX-MRXNPFEDSA-N 0 3 425.554 3.875 40 0 IHABHN CN(C)CCOc1ccccc1C(=O)N1CCC[C@@H](c2cccc(Nc3cnccn3)n2)C1 ZINC000257221487 568675003 /nfs/dbraw/zinc/67/50/03/568675003.db2.gz DPFJIENUSVJBOO-LJQANCHMSA-N 0 3 446.555 3.575 40 0 IHABHN Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@@H](c2cc(Nc3ccc(C)cc3)cc(C)n2)C1 ZINC000257310553 568715722 /nfs/dbraw/zinc/71/57/22/568715722.db2.gz UFOVPZJXMYZYOZ-GOSISDBHSA-N 0 3 425.558 3.960 40 0 IHABHN COc1ccc(CN2CCC[C@@H]([C@@](O)(CNC(=O)C(C)(C)C)c3ccccn3)C2)c(C)c1 ZINC000257318746 568719575 /nfs/dbraw/zinc/71/95/75/568719575.db2.gz VPFAOUPANAXFAV-RLWLMLJZSA-N 0 3 439.600 3.661 40 0 IHABHN Cc1nc2cc([C@H]3CCN(Cc4cccs4)C3)nn2c(C)c1CCC(=O)NC(C)C ZINC000257321651 568720692 /nfs/dbraw/zinc/72/06/92/568720692.db2.gz WCOSJFOPLMPTGP-SFHVURJKSA-N 0 3 425.602 3.854 40 0 IHABHN COC[C@@]1(CN)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218240246 568740825 /nfs/dbraw/zinc/74/08/25/568740825.db2.gz DTPFLKOMZAQSHM-BZSNNMDCSA-N 0 3 444.778 3.634 40 0 IHABHN COc1cccc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccsc2)C3=O)c1 ZINC000306123586 568762800 /nfs/dbraw/zinc/76/28/00/568762800.db2.gz AQXFDUSELITRMN-UKILVPOCSA-N 0 3 449.576 3.549 40 0 IHABHN COc1ccc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccsc2)C3=O)cc1 ZINC000306134052 568768266 /nfs/dbraw/zinc/76/82/66/568768266.db2.gz NCOCXCUXDLXISR-ZCYQVOJMSA-N 0 3 449.576 3.549 40 0 IHABHN COc1cccc(CN2CCC3(CC2)CN(C)C[C@H](C(=O)Nc2cccc(Cl)c2)O3)c1 ZINC000306139107 568771011 /nfs/dbraw/zinc/77/10/11/568771011.db2.gz SPSVFGPMBVZJLI-JOCHJYFZSA-N 0 3 443.975 3.653 40 0 IHABHN O=C1N(Cc2ccccc2)CCO[C@]12CN(Cc1cccc(F)c1)C[C@@H]2c1cccnc1 ZINC000306143525 568773209 /nfs/dbraw/zinc/77/32/09/568773209.db2.gz YEPMFWPJJIPTDD-RSXGOPAZSA-N 0 3 431.511 3.618 40 0 IHABHN CCOC(=O)c1c([N-]C(=O)c2cc(-c3ccccc3C)on2)sc2c1CC[C@H]([NH3+])C2 ZINC000061997333 568790965 /nfs/dbraw/zinc/79/09/65/568790965.db2.gz CNFQVLBNHXHNFM-ZDUSSCGKSA-N 0 3 425.510 3.957 40 0 IHABHN CN(CCO)C(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2cccc3cccnc32)C1 ZINC000019702214 569231814 /nfs/dbraw/zinc/23/18/14/569231814.db2.gz JZHXRDUQFQKBNU-GOSISDBHSA-N 0 3 446.576 3.898 40 0 IHABHN CN(C)c1nc2ccccc2cc1CN1CC[C@H](c2c3cccnc3sc2C(N)=O)C1 ZINC000019702125 569231826 /nfs/dbraw/zinc/23/18/26/569231826.db2.gz LGLNWLULPFVUKO-INIZCTEOSA-N 0 3 431.565 3.999 40 0 IHABHN COc1cccc(CN2CC[C@@H](c3c(CNC(C)=O)cnn3-c3ccc(C)cc3)C2)c1F ZINC000019708014 569234598 /nfs/dbraw/zinc/23/45/98/569234598.db2.gz BEVCUBYTSIWSDL-HXUWFJFHSA-N 0 3 436.531 3.954 40 0 IHABHN CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000252516057 569288313 /nfs/dbraw/zinc/28/83/13/569288313.db2.gz PTUHUWYTHYZGFD-ZFGGDYGUSA-N 0 3 444.597 3.719 40 0 IHABHN COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNC(=O)C3CCCCC3)n(C)n2)cc1 ZINC000008635374 291370223 /nfs/dbraw/zinc/37/02/23/291370223.db2.gz GZJKCNXGVVESBH-XJUOHMSHSA-N 0 3 436.600 3.970 40 0 biogenic,in-vitro IHABHN O=c1[nH]c2ccccc2c(=O)n1CCCCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000001563984 132245988 /nfs/dbraw/zinc/24/59/88/132245988.db2.gz BUYIIOPUUZPKTC-UHFFFAOYSA-N 0 3 440.975 3.726 40 0 IHABHN CC(=O)N[C@H](C)c1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1 ZINC000036719503 556309714 /nfs/dbraw/zinc/30/97/14/556309714.db2.gz MERJWJWNRNHRHK-DKLXNKCPSA-N 0 3 438.568 3.576 40 0 IHABHN COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC000028220880 556446350 /nfs/dbraw/zinc/44/63/50/556446350.db2.gz ACAWBIGBTJBGQL-FQEVSTJZSA-N 0 3 427.976 3.909 40 0 IHABHN CC(=O)Oc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000100662899 556564662 /nfs/dbraw/zinc/56/46/62/556564662.db2.gz UVAZWQPBCIEZCG-VJBWXMMDSA-N 0 3 446.434 3.802 40 0 IHABHN CC(C)(N)C(=O)N1CCC[C@H](c2cc(Nc3cccc(F)c3)nc(-c3cccnc3)n2)C1 ZINC000019080894 556695771 /nfs/dbraw/zinc/69/57/71/556695771.db2.gz MQTACOGDGOIVKV-KRWDZBQOSA-N 0 3 434.519 3.865 40 0 IHABHN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)c3ccc(CN(C)C)cc3)C1)N2 ZINC000019128204 556703793 /nfs/dbraw/zinc/70/37/93/556703793.db2.gz TYYZTPDXPRVJFY-SLFFLAALSA-N 0 3 431.531 3.796 40 0 IHABHN Cc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCCCN3CCCC3=O)cc2)c(C)c1 ZINC000257231727 556709407 /nfs/dbraw/zinc/70/94/07/556709407.db2.gz GHYQEXOZEBUGPM-HSZRJFAPSA-N 0 3 440.584 3.566 40 0 IHABHN COc1ccccc1NC(=S)N(CCN(C)C)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000000880661 556732621 /nfs/dbraw/zinc/73/26/21/556732621.db2.gz SWLMSFYAECMWEL-UHFFFAOYSA-N 0 3 438.597 3.914 40 0 IHABHN O=C(Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1)C1CC1 ZINC000019332389 556737493 /nfs/dbraw/zinc/73/74/93/556737493.db2.gz NIEKFWQFORBKII-FCHUYYIVSA-N 0 3 440.515 3.558 40 0 IHABHN CC1CCC([N@@H+]2CC[C@@H](c3nc4c(c(=O)[n-]3)CCN(C(=O)c3ccccc3F)C4)C2)CC1 ZINC000019495946 556768290 /nfs/dbraw/zinc/76/82/90/556768290.db2.gz AIKUDKXELYJWED-LXPRWKDFSA-N 0 3 438.547 3.888 40 0 IHABHN CC1CCC([N@H+]2CC[C@@H](c3nc4c(c(=O)[n-]3)CCN(C(=O)c3ccccc3F)C4)C2)CC1 ZINC000019495946 556768295 /nfs/dbraw/zinc/76/82/95/556768295.db2.gz AIKUDKXELYJWED-LXPRWKDFSA-N 0 3 438.547 3.888 40 0 IHABHN CC[C@H]1CCCCN1CC(=O)NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn32)cc1 ZINC000019500966 556772688 /nfs/dbraw/zinc/77/26/88/556772688.db2.gz KZHVPDKXUJIBJZ-KRWDZBQOSA-N 0 3 446.477 3.691 40 0 IHABHN CNC(=O)[C@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(Cc2cnn(C)c2C)C1 ZINC000019553603 556797242 /nfs/dbraw/zinc/79/72/42/556797242.db2.gz JCAWNJWNSBCRLR-MHZLTWQESA-N 0 3 446.595 3.975 40 0 IHABHN COCCOc1cccc(CN2CCC[C@@H](c3nc(-c4ccccc4)c(C(N)=O)[nH]3)C2)c1 ZINC000019698990 556858298 /nfs/dbraw/zinc/85/82/98/556858298.db2.gz DZXJZYXSYKRTFI-HXUWFJFHSA-N 0 3 434.540 3.580 40 0 IHABHN CC[C@@H](C(=O)N1CCC(c2ccc(C(=O)N3CCCCC3)cn2)CC1)N1CCCCC1 ZINC000019708359 556868722 /nfs/dbraw/zinc/86/87/22/556868722.db2.gz SODPFGYURGNKJJ-QHCPKHFHSA-N 0 3 426.605 3.678 40 0 IHABHN COc1ccc(CN2CCC(CNC(=O)c3ccc(OC4CSC4)cc3)CC2)cc1 ZINC000072347499 556918684 /nfs/dbraw/zinc/91/86/84/556918684.db2.gz BSTHKCOCPJHZFU-UHFFFAOYSA-N 0 3 426.582 3.831 40 0 IHABHN COc1ccc(-c2noc([C@@H]3CCN(Cc4cc(OC)c(OC)c(OC)c4)C3)n2)cc1 ZINC000072369925 556933696 /nfs/dbraw/zinc/93/36/96/556933696.db2.gz OKENTAJTZLFSRX-QGZVFWFLSA-N 0 3 425.485 3.761 40 0 IHABHN Cc1nnc(SCC(=O)NC2CCN(CC3(c4cccc(F)c4)CCCC3)CC2)o1 ZINC000072393450 556964855 /nfs/dbraw/zinc/96/48/55/556964855.db2.gz QEIJTQXVOJFVNH-UHFFFAOYSA-N 0 3 432.565 3.702 40 0 IHABHN CCn1cc([C@H]2CN(Cc3ccccc3)C[C@@H]2NC(=O)c2ccnn2C)c2ccccc21 ZINC000072395127 556966468 /nfs/dbraw/zinc/96/64/68/556966468.db2.gz MEDYXHHJSHKYSJ-PKTZIBPZSA-N 0 3 427.552 3.793 40 0 IHABHN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCN5CCC[C@@H]5C4)c3N2)cc1 ZINC000015931277 556985794 /nfs/dbraw/zinc/98/57/94/556985794.db2.gz GQFMRZHRGJJHOH-NEWSRXKRSA-N 0 3 433.478 3.772 40 0 IHABHN O=C(CN1CC[C@@H]2CCCC[C@H]2C1)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000257337757 557006161 /nfs/dbraw/zinc/00/61/61/557006161.db2.gz YUFIVQLRNWVUCL-BVPXEZJJSA-N 0 3 428.577 3.899 40 0 IHABHN CN1CCN(CCC(=O)N2CC3(CCOCC3)c3cc(-c4cccc(F)c4)ccc32)CC1 ZINC000585105811 557038934 /nfs/dbraw/zinc/03/89/34/557038934.db2.gz PEVGAKKTKYEERB-UHFFFAOYSA-N 0 3 437.559 3.525 40 0 IHABHN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c(OC)c1 ZINC000102729643 557131769 /nfs/dbraw/zinc/13/17/69/557131769.db2.gz MURCILWVRZTRIQ-XPWALMASSA-N 0 3 448.450 3.894 40 0 IHABHN COc1ccc(-c2noc(CN(C)C(=O)C3CCN(Cc4cccc(C)c4)CC3)n2)cc1 ZINC000219407420 557243168 /nfs/dbraw/zinc/24/31/68/557243168.db2.gz ONVRHVVYPYSXAX-UHFFFAOYSA-N 0 3 434.540 3.924 40 0 IHABHN COc1ccc(CN2CCC([C@H](NC(=O)CC(C)C)c3ccccn3)CC2)cc1CO ZINC000057774004 557263583 /nfs/dbraw/zinc/26/35/83/557263583.db2.gz ZRNQKGITRVAFIG-VWLOTQADSA-N 0 3 425.573 3.698 40 0 IHABHN COc1cc(CN(C)C[C@@H](O)COc2ccccc2)ccc1OCCN1CCC(C)CC1 ZINC000585270651 568617129 /nfs/dbraw/zinc/61/71/29/568617129.db2.gz ALCNRXPWHDABGC-HSZRJFAPSA-N 0 3 442.600 3.678 40 0 IHABHN CN(Cc1cc(Cl)ccc1OCc1ccccc1)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257242837 568684935 /nfs/dbraw/zinc/68/49/35/568684935.db2.gz IEJUYFKNMRHSSU-CQOQZXRMSA-N 0 3 430.976 3.575 40 0 IHABHN CCN(CC)S(=O)(=O)N1CCC[C@@H](c2cc(Nc3ccc(OC)cc3)cc(C)n2)C1 ZINC000257318338 568719153 /nfs/dbraw/zinc/71/91/53/568719153.db2.gz VNMLUVPFQHDALU-GOSISDBHSA-N 0 3 432.590 3.908 40 0 IHABHN Cc1nc2cc([C@@H]3CCN(Cc4cccnc4)C3)nn2c(C)c1CCC(=O)N1CCCCC1 ZINC000257334592 568726321 /nfs/dbraw/zinc/72/63/21/568726321.db2.gz YGPKSMSPIOOIOW-JOCHJYFZSA-N 0 3 446.599 3.676 40 0 IHABHN O=C(c1ccccc1CN1CCCCC1)N1CC[C@@]2(CN(Cc3ccccc3)C(=O)O2)C1 ZINC000257337649 568727686 /nfs/dbraw/zinc/72/76/86/568727686.db2.gz YTTHFTNLTZOGSG-SANMLTNESA-N 0 3 433.552 3.910 40 0 IHABHN Cc1nc2cc([C@@H]3CCN(Cc4ccc(F)cc4)C3)nn2c(C)c1CCC(=O)NC(C)C ZINC000257338611 568727977 /nfs/dbraw/zinc/72/79/77/568727977.db2.gz YYECKKBLKYTOQB-HXUWFJFHSA-N 0 3 437.563 3.932 40 0 IHABHN O=C(c1ccc(OCCN2CCCC2)cc1)N1CCC[C@H]1c1cccc(-n2ccnc2)n1 ZINC000257342784 568729957 /nfs/dbraw/zinc/72/99/57/568729957.db2.gz ZQDQGYIVRQYIAR-QHCPKHFHSA-N 0 3 431.540 3.719 40 0 IHABHN COCCN1CC[C@@]2(CN(Cc3ccc(Cl)cc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306125218 568763758 /nfs/dbraw/zinc/76/37/58/568763758.db2.gz CJQSKGUPFAVBAU-OFNKIYASSA-N 0 3 430.980 3.582 40 0 IHABHN CN(C)CCNc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccncc2)n1 ZINC000329026188 568809723 /nfs/dbraw/zinc/80/97/23/568809723.db2.gz PKHAWDRNCGIOES-UHFFFAOYSA-N 0 3 436.869 3.772 40 0 IHABHN C[C@@H]1Cc2cc(CN3CCC[C@H]([C@@H](NC(=O)[C@@H]4CCCO4)c4ccccn4)C3)ccc2O1 ZINC000253594336 569208970 /nfs/dbraw/zinc/20/89/70/569208970.db2.gz YNDJUFYEHGEVFJ-NQGPINQYSA-N 0 3 435.568 3.654 40 0 IHABHN COc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(C)C(=O)C1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000009407643 569215208 /nfs/dbraw/zinc/21/52/08/569215208.db2.gz OIZIOMXXIWTNIG-PTLVVNQVSA-N 0 3 443.565 3.890 40 0 IHABHN CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000009063630 569220031 /nfs/dbraw/zinc/22/00/31/569220031.db2.gz CUXLVAPGVPRQBL-UHFFFAOYSA-N 0 3 447.576 3.707 40 0 IHABHN CCN(CC)C(=O)CN(CC)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3nccs3)cc2)C1 ZINC000019712689 569235373 /nfs/dbraw/zinc/23/53/73/569235373.db2.gz XSTZGXCXQKAJCZ-UXHICEINSA-N 0 3 444.601 3.806 40 0 IHABHN COc1cc2c(cc1CN1[C@H](Cc3ccccc3)C[C@@H]3NC(=O)CCCC[C@H]31)OCCO2 ZINC000019713898 569235801 /nfs/dbraw/zinc/23/58/01/569235801.db2.gz FJLWNPAHMBQGLH-BHIFYINESA-N 0 3 436.552 3.711 40 0 IHABHN COC[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000242464038 569327791 /nfs/dbraw/zinc/32/77/91/569327791.db2.gz DTPFLKOMZAQSHM-KZNAEPCWSA-N 0 3 444.778 3.634 40 0 IHABHN COc1ccc(CN2CC[C@H](c3ncc(C(=O)NCc4cccc(OC)c4)c(C)n3)C2)cc1 ZINC000019758241 569328691 /nfs/dbraw/zinc/32/86/91/569328691.db2.gz GPIMXZJDMRITEF-NRFANRHFSA-N 0 3 446.551 3.722 40 0 IHABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000242687464 569462129 /nfs/dbraw/zinc/46/21/29/569462129.db2.gz UGWFIKWKIQAQFF-DBXWQHBBSA-N 0 3 436.961 3.502 40 0 IHABHN CN(C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccc(F)cc2)C1 ZINC000004237217 291367694 /nfs/dbraw/zinc/36/76/94/291367694.db2.gz LQGZCLBYELIKBS-GHTZIAJQSA-N 0 3 445.538 3.976 40 0 biogenic,in-vitro IHABHN CC(=O)N1CCN(C[C@@H]2C=C(C)[C@H](Cc3nnc(-c4ccncc4)o3)C[C@H]2C(C)C)CC1 ZINC000035442644 519585650 /nfs/dbraw/zinc/58/56/50/519585650.db2.gz CKHJNUBIZXDSLA-VABKMULXSA-N 0 3 437.588 3.693 40 0 biogenic,in-vitro IHABHN CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2cccc4ncccc24)C3)c(OCC)n1 ZINC000012181062 521611043 /nfs/dbraw/zinc/61/10/43/521611043.db2.gz PGSQLUSPRJECJT-NJEHHLDASA-N 0 3 448.567 3.942 40 0 IHABHN Fc1ccc(COc2ccc(Br)cc2CNCCCN2CCOCC2)cc1 ZINC000022074078 526341802 /nfs/dbraw/zinc/34/18/02/526341802.db2.gz AZJKXWUTZWWAQX-UHFFFAOYSA-N 0 3 437.353 3.979 40 0 IHABHN O=C(N[C@H]1CCc2ccc(S(=O)(=O)NCCCN3CCCCCC3)cc21)C1CCCC1 ZINC000072345808 527071546 /nfs/dbraw/zinc/07/15/46/527071546.db2.gz POQDOKUSCWXPPR-QHCPKHFHSA-N 0 3 447.645 3.525 40 0 IHABHN COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000008735664 556204872 /nfs/dbraw/zinc/20/48/72/556204872.db2.gz APARKEVXSWZVIP-FKBYEOEOSA-N 0 3 446.434 3.663 40 0 IHABHN CC[C@@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856996 556672892 /nfs/dbraw/zinc/67/28/92/556672892.db2.gz XDXYSYDLPSMXBV-JOCHJYFZSA-N 0 3 432.561 3.709 40 0 IHABHN CC(C)(C)C(=O)N1CCC[C@@H](c2cc(=O)[n-]c(C3CC[NH+](Cc4ccsc4)CC3)n2)C1 ZINC000019081220 556696088 /nfs/dbraw/zinc/69/60/88/556696088.db2.gz BWSMLZPONQKOOP-LJQANCHMSA-N 0 3 442.629 3.963 40 0 IHABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccnc4)[C@H]3C2=O)cc1 ZINC000013751693 556726081 /nfs/dbraw/zinc/72/60/81/556726081.db2.gz CGDNNSCPXPIDBQ-VJBWXMMDSA-N 0 3 429.476 3.922 40 0 IHABHN COc1ccccc1CN1CCC[C@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019290183 556730051 /nfs/dbraw/zinc/73/00/51/556730051.db2.gz JVDZRRHLBCPQAF-FQEVSTJZSA-N 0 3 432.572 3.866 40 0 IHABHN COc1ccc(NC(=S)N(CCN(C)C)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 ZINC000000880669 556732516 /nfs/dbraw/zinc/73/25/16/556732516.db2.gz XEKFQLVZCRWYFE-UHFFFAOYSA-N 0 3 438.597 3.914 40 0 IHABHN CCOC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000095545571 556756641 /nfs/dbraw/zinc/75/66/41/556756641.db2.gz RMZWPBIXXJEQBB-HBMCJLEFSA-N 0 3 432.432 3.507 40 0 IHABHN CC(C)[N@@H+]1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccc4c(c3)C[C@H](C)O4)[n-]c2=O)C1 ZINC000019497953 556770366 /nfs/dbraw/zinc/77/03/66/556770366.db2.gz CLVONTLHCYZYFV-KKSFZXQISA-N 0 3 436.556 3.640 40 0 IHABHN CC(C)[N@H+]1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccc4c(c3)C[C@H](C)O4)[n-]c2=O)C1 ZINC000019497953 556770367 /nfs/dbraw/zinc/77/03/67/556770367.db2.gz CLVONTLHCYZYFV-KKSFZXQISA-N 0 3 436.556 3.640 40 0 IHABHN CCc1ncc(CN2CCC[C@](Cc3ccccc3-c3cccnc3)(C(=O)NC)C2)cn1 ZINC000019523374 556780865 /nfs/dbraw/zinc/78/08/65/556780865.db2.gz ASBXTLYNTKVWIP-AREMUKBSSA-N 0 3 429.568 3.672 40 0 IHABHN COc1cccc(OC)c1CN1CC[C@@](Cc2cccc(-c3ccncc3)c2)(C(N)=O)C1 ZINC000019566992 556807356 /nfs/dbraw/zinc/80/73/56/556807356.db2.gz OZIPRKJAOVBWDP-SANMLTNESA-N 0 3 431.536 3.686 40 0 IHABHN COc1cccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1OC ZINC000019567763 556807795 /nfs/dbraw/zinc/80/77/95/556807795.db2.gz LFIMDXPIJQPDOG-GOSISDBHSA-N 0 3 448.571 3.864 40 0 IHABHN CCN1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NCC(C)C ZINC000004217064 556821312 /nfs/dbraw/zinc/82/13/12/556821312.db2.gz SDHVSIPYBFUEHI-NRFANRHFSA-N 0 3 428.646 3.962 40 0 IHABHN CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2cccnc2NC)C1 ZINC000019592039 556827939 /nfs/dbraw/zinc/82/79/39/556827939.db2.gz GIXKLNDPYSIOQI-AREMUKBSSA-N 0 3 429.568 3.756 40 0 IHABHN Cc1nc(C2=CCN(C[C@H](O)c3ccc4ccccc4c3)CC2)nc(N2CCOCC2)c1C ZINC000072339516 556911792 /nfs/dbraw/zinc/91/17/92/556911792.db2.gz PYVWDAJBPIPGFO-VWLOTQADSA-N 0 3 444.579 3.906 40 0 IHABHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1cc(Cl)ccc1OC ZINC000019819183 556922001 /nfs/dbraw/zinc/92/20/01/556922001.db2.gz RTVDJYKRTLHZSV-MRXNPFEDSA-N 0 3 446.862 3.926 40 0 IHABHN COc1cccc(-c2noc([C@H]3CCN(Cc4cc(OC)c(OC)c(OC)c4)C3)n2)c1 ZINC000072369876 556933726 /nfs/dbraw/zinc/93/37/26/556933726.db2.gz ZSVVMOUBWZUQNN-KRWDZBQOSA-N 0 3 425.485 3.761 40 0 IHABHN COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1Cc1cn(C)nc1C ZINC000072370560 556935446 /nfs/dbraw/zinc/93/54/46/556935446.db2.gz LBDJBTPINQEPAT-IBGZPJMESA-N 0 3 440.613 3.917 40 0 IHABHN Cc1ccc([C@H](CNc2cc(Cn3ncc4ccccc4c3=O)nc(C)n2)N(C)C)cc1 ZINC000072373243 556945764 /nfs/dbraw/zinc/94/57/64/556945764.db2.gz QJKJXXWUYLPTPL-QHCPKHFHSA-N 0 3 428.540 3.566 40 0 IHABHN CN1CCC(Nc2n[nH]c3nc([C@@H]4CCCN4C(=O)Cc4ccc(F)cc4)ccc23)CC1 ZINC000072374523 556948083 /nfs/dbraw/zinc/94/80/83/556948083.db2.gz GDADMPQISJLPDM-NRFANRHFSA-N 0 3 436.535 3.509 40 0 IHABHN CC1CCN(C(=O)CN2CCC[C@@H]2c2ccc3c(n[nH]c3NCc3ccccc3)n2)CC1 ZINC000072374505 556948221 /nfs/dbraw/zinc/94/82/21/556948221.db2.gz WCBNZFDTVHLYMK-JOCHJYFZSA-N 0 3 432.572 3.965 40 0 IHABHN CCOc1ccc(CN2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)cc1OC ZINC000072395699 556968060 /nfs/dbraw/zinc/96/80/60/556968060.db2.gz WHRPJWYOBAFUSI-QFBILLFUSA-N 0 3 439.482 3.885 40 0 IHABHN COc1cccc(-c2ccc3ccc(-n4ccc(C(=O)N5CC[C@H](N(C)C)C5)n4)n3c2)c1 ZINC000096155466 557179780 /nfs/dbraw/zinc/17/97/80/557179780.db2.gz OQFXKYVXHXKMQX-NRFANRHFSA-N 0 3 429.524 3.577 40 0 IHABHN COCCOc1cc(CN2CCC[C@@](O)(COc3ccc(C)cc3)CC2)ccc1OC ZINC000585270178 557214305 /nfs/dbraw/zinc/21/43/05/557214305.db2.gz HOGNUKYWOCMVJA-VWLOTQADSA-N 0 3 429.557 3.825 40 0 IHABHN Cc1ccn(CCOc2ccc(CN3CCC(O)(COc4ccc(F)cc4)CC3)cc2)n1 ZINC000585271810 557216329 /nfs/dbraw/zinc/21/63/29/557216329.db2.gz CVIOBZOWQHPGGM-UHFFFAOYSA-N 0 3 439.531 3.816 40 0 IHABHN Cc1nccn1CCOc1ccc(CN2CCC(O)(COc3ccc(F)cc3)CC2)cc1 ZINC000585272101 557216783 /nfs/dbraw/zinc/21/67/83/557216783.db2.gz FPBQTLOCZJBLGP-UHFFFAOYSA-N 0 3 439.531 3.816 40 0 IHABHN CCc1nccn1CCOc1cccc(CN2CCC[C@@](O)(COc3ccccc3)C2)c1 ZINC000585272029 557216795 /nfs/dbraw/zinc/21/67/95/557216795.db2.gz DYYBUVZNMMFOSN-SANMLTNESA-N 0 3 435.568 3.930 40 0 IHABHN O=C(NCCCN1CCOCC1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000219961822 557272726 /nfs/dbraw/zinc/27/27/26/557272726.db2.gz UZYQCXDUZPWZHJ-UHFFFAOYSA-N 0 3 435.612 3.593 40 0 IHABHN CC(=O)Nc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000101221426 557279634 /nfs/dbraw/zinc/27/96/34/557279634.db2.gz IYRVNKAGCDPRBN-VJBWXMMDSA-N 0 3 445.450 3.835 40 0 IHABHN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(Br)cc3)CC1)O2 ZINC000013998252 557402946 /nfs/dbraw/zinc/40/29/46/557402946.db2.gz NZSQSJHSOGLQLC-UXHICEINSA-N 0 3 448.357 3.842 40 0 IHABHN COc1ccc(Cn2nnnc2[C@H](c2ccc(C)cc2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019367035 557499174 /nfs/dbraw/zinc/49/91/74/557499174.db2.gz YBVAHNMGJMBORJ-VWLOTQADSA-N 0 3 446.599 3.688 40 0 IHABHN CCC(C)(C)n1nnnc1[C@H](c1ccc(OC)cc1)N1CCN(C2CCCCC2)CC1 ZINC000020140039 557515712 /nfs/dbraw/zinc/51/57/12/557515712.db2.gz IYHSVYSADCDNGI-QFIPXVFZSA-N 0 3 426.609 3.867 40 0 IHABHN Cc1cnn(CCOc2cccc(CN3CCC(O)(COc4ccc(C)cc4)CC3)c2)c1 ZINC000585270549 568617214 /nfs/dbraw/zinc/61/72/14/568617214.db2.gz FQQQCMDBDACBDO-UHFFFAOYSA-N 0 3 435.568 3.985 40 0 IHABHN Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@H](c2cc(Nc3cccc(F)c3)cc(C)n2)C1 ZINC000257242608 568684967 /nfs/dbraw/zinc/68/49/67/568684967.db2.gz IDHXOHLXYDOTRE-INIZCTEOSA-N 0 3 429.521 3.791 40 0 IHABHN COc1cccc(Nc2cc(C)nc([C@@H]3CCN(S(=O)(=O)c4c(C)noc4C)C3)c2)c1 ZINC000257267157 568696491 /nfs/dbraw/zinc/69/64/91/568696491.db2.gz MGEDTFDJSQNIOQ-QGZVFWFLSA-N 0 3 442.541 3.925 40 0 IHABHN O=C(C1CCN(Cc2cccnc2)CC1)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 ZINC000257309822 568715363 /nfs/dbraw/zinc/71/53/63/568715363.db2.gz UCNHZXVEGFJZLG-JOCHJYFZSA-N 0 3 448.546 3.505 40 0 IHABHN O=C(C1CCN(Cc2cccnc2)CC1)N1CCC[C@@H]1c1nnc(Cc2ccc(F)cc2)[nH]1 ZINC000257309822 568715365 /nfs/dbraw/zinc/71/53/65/568715365.db2.gz UCNHZXVEGFJZLG-JOCHJYFZSA-N 0 3 448.546 3.505 40 0 IHABHN COC[C@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218240181 568741023 /nfs/dbraw/zinc/74/10/23/568741023.db2.gz DTPFLKOMZAQSHM-FGTMMUONSA-N 0 3 444.778 3.634 40 0 IHABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218631910 568761914 /nfs/dbraw/zinc/76/19/14/568761914.db2.gz UGWFIKWKIQAQFF-LVCYWYKZSA-N 0 3 436.961 3.502 40 0 IHABHN Cc1ccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccc2)C3=O)s1 ZINC000306123354 568762504 /nfs/dbraw/zinc/76/25/04/568762504.db2.gz AKWSGNDEJDIKAF-NOZRDPDXSA-N 0 3 433.577 3.849 40 0 IHABHN O=S1(=O)CC[C@H](N(CCNCc2cccc(Cl)c2)Cc2ccc(Cl)cc2)C1 ZINC000575421389 568863162 /nfs/dbraw/zinc/86/31/62/568863162.db2.gz PZQXPLIHRWFUPJ-FQEVSTJZSA-N 0 3 427.397 3.772 40 0 IHABHN CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4cccc(OC(C)C)c4)C[C@H]32)c(OCC)n1 ZINC000230035587 569185072 /nfs/dbraw/zinc/18/50/72/569185072.db2.gz GDZNPJKSHQYXBX-UWUFEASWSA-N 0 3 441.572 3.791 40 0 IHABHN O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2-n2cccn2)C1)[C@H]1CCCO1 ZINC000247520366 569205929 /nfs/dbraw/zinc/20/59/29/569205929.db2.gz XFLDUEHBXKIJLB-GPUOULLFSA-N 0 3 445.567 3.516 40 0 IHABHN CCOCc1cc(CN2CC[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)ccc1OC ZINC000019695058 569229461 /nfs/dbraw/zinc/22/94/61/569229461.db2.gz NXFXQAXIMIHMRP-LJQANCHMSA-N 0 3 448.571 3.534 40 0 IHABHN Cc1c(CN2CCC[C@@H](c3ncc(C(=O)N(C)C)c(C)n3)C2)c(-c2ccccc2)nn1C ZINC000019763084 569237887 /nfs/dbraw/zinc/23/78/87/569237887.db2.gz ACMSVUYSSCJYOB-HXUWFJFHSA-N 0 3 432.572 3.575 40 0 IHABHN Cc1nc(C2CCN(CCCOc3ccc(F)cc3)CC2)ncc1C(=O)N1CCCC1 ZINC000019766528 569239458 /nfs/dbraw/zinc/23/94/58/569239458.db2.gz HSZAPDMQEZRLCY-UHFFFAOYSA-N 0 3 426.536 3.809 40 0 IHABHN CC(=O)Nc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)cc1 ZINC000018066485 569284666 /nfs/dbraw/zinc/28/46/66/569284666.db2.gz IZFKBBWLZQVYJB-VJBWXMMDSA-N 0 3 445.450 3.835 40 0 IHABHN C[C@@H]1[C@H]2C[C@H](O)[C@@H]3[C@@H]4C[C@@H](O)[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H]3[C@@H]2CN2C[C@@H](C)CC[C@@H]12 ZINC000070688111 569315518 /nfs/dbraw/zinc/31/55/18/569315518.db2.gz OFBFDCQSKGYUKF-QXWXVOIKSA-N 0 3 431.661 3.534 40 0 biogenic IHABHN COc1cccc(CN2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(C(N)=O)cc3)C2)c1 ZINC000019694596 569326569 /nfs/dbraw/zinc/32/65/69/569326569.db2.gz OBLOVOXTMTWFLG-NRFANRHFSA-N 0 3 445.567 3.697 40 0 IHABHN Cn1c2ccc(CN3CC[C@]4(C)[C@H]3CCCCC(=O)N4Cc3ccccc3)cc2n(C)c1=O ZINC000019713405 569327810 /nfs/dbraw/zinc/32/78/10/569327810.db2.gz QKMZHVXQPXDJNU-SHQCIBLASA-N 0 3 446.595 3.813 40 0 IHABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218633778 569458959 /nfs/dbraw/zinc/45/89/59/569458959.db2.gz OFWVXHUKENCCBU-LQWHRVPQSA-N 0 3 436.961 3.502 40 0 IHABHN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218648363 569459026 /nfs/dbraw/zinc/45/90/26/569459026.db2.gz PTUHUWYTHYZGFD-LGVFNWMJSA-N 0 3 444.597 3.719 40 0 IHABHN COc1ccc(Cn2nnnc2[C@H](CC(C)C)N2CCN(C3CCCCC3)CC2)cc1 ZINC000022929452 524267733 /nfs/dbraw/zinc/26/77/33/524267733.db2.gz XEONRGPIASBWHQ-QHCPKHFHSA-N 0 3 426.609 3.768 40 0 IHABHN COc1ccc(NC(=O)N(CCN2CCCC2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000012711773 524537824 /nfs/dbraw/zinc/53/78/24/524537824.db2.gz XZLUFMSKQUJSSJ-UHFFFAOYSA-N 0 3 434.540 3.975 40 0 IHABHN O=C(c1ccccc1I)N1CCC[C@H](N2CCc3ccccc3C2)C1 ZINC000408607275 555967322 /nfs/dbraw/zinc/96/73/22/555967322.db2.gz KKXCTUOFLRYMQT-SFHVURJKSA-N 0 3 446.332 3.954 40 0 IHABHN O=C(c1ccccc1I)N1CCC[C@@H](N2CCc3ccccc3C2)C1 ZINC000408607273 555967351 /nfs/dbraw/zinc/96/73/51/555967351.db2.gz KKXCTUOFLRYMQT-GOSISDBHSA-N 0 3 446.332 3.954 40 0 IHABHN Cc1cccc(CN2CCC(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)CC2)c1 ZINC000039761382 556436300 /nfs/dbraw/zinc/43/63/00/556436300.db2.gz QALDTJSCAYDJRZ-QFIPXVFZSA-N 0 3 435.568 3.755 40 0 IHABHN COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)NCCN(C)C ZINC000016957689 556650942 /nfs/dbraw/zinc/65/09/42/556650942.db2.gz SNRLIWICKYZWNS-BQYQJAHWSA-N 0 3 430.501 3.541 40 0 IHABHN CC[C@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856995 556672808 /nfs/dbraw/zinc/67/28/08/556672808.db2.gz XDXYSYDLPSMXBV-QFIPXVFZSA-N 0 3 432.561 3.709 40 0 IHABHN COc1cc(CNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc(OC)c1OC ZINC000044917447 556681841 /nfs/dbraw/zinc/68/18/41/556681841.db2.gz KZBAXTVNXNDUMV-SFHVURJKSA-N 0 3 432.948 3.894 40 0 IHABHN CC(=O)N1CCc2c(nc([C@H]3CCCN(Cc4ccc(F)cc4)C3)nc2-c2ccncc2)C1 ZINC000019019165 556693008 /nfs/dbraw/zinc/69/30/08/556693008.db2.gz MZLCUPGLGZXOMN-NRFANRHFSA-N 0 3 445.542 3.962 40 0 IHABHN CC(C)C(=O)N1CCCc2cc([C@@H](O)CN3CCC(COc4ccccn4)CC3)ccc21 ZINC000019085724 556699321 /nfs/dbraw/zinc/69/93/21/556699321.db2.gz PKSBJTWIUYPMJS-DEOSSOPVSA-N 0 3 437.584 3.841 40 0 IHABHN Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)OCCCO4)CC1)O2 ZINC000019219293 556713774 /nfs/dbraw/zinc/71/37/74/556713774.db2.gz CDRIOIPMAHWFRW-SFTDATJTSA-N 0 3 425.525 3.540 40 0 IHABHN Cc1ccc2c(cc(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[n-]3)CC[N@@H+](C(C)C)C4)n2C)c1 ZINC000019221208 556715473 /nfs/dbraw/zinc/71/54/73/556715473.db2.gz BBVDPKRNXYXNIK-OAQYLSRUSA-N 0 3 433.556 3.726 40 0 IHABHN Cc1ccc2c(cc(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[n-]3)CC[N@H+](C(C)C)C4)n2C)c1 ZINC000019221208 556715476 /nfs/dbraw/zinc/71/54/76/556715476.db2.gz BBVDPKRNXYXNIK-OAQYLSRUSA-N 0 3 433.556 3.726 40 0 IHABHN O=C(c1cccc(F)c1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCCCC1)CC2 ZINC000019293563 556733021 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CC(=O)N1c2ccc([C@H](O)CN3CCC[C@](O)(c4ccc(F)cc4)CC3)cc2C[C@H]1C ZINC000072343038 556914929 /nfs/dbraw/zinc/91/49/29/556914929.db2.gz JAKBBXJVHXQKSW-LJXNEXSDSA-N 0 3 426.532 3.530 40 0 IHABHN CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CN(C[C@H](C)c2ccccc2)CCO1 ZINC000072389168 556959164 /nfs/dbraw/zinc/95/91/64/556959164.db2.gz WHFVWYAFFYCGAW-KDYSTLNUSA-N 0 3 429.564 3.912 40 0 IHABHN O=C(CCN1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1)c1ccc(F)cc1 ZINC000072395707 556968015 /nfs/dbraw/zinc/96/80/15/556968015.db2.gz QDBFKIPCDFFCQX-FUHWJXTLSA-N 0 3 425.430 3.690 40 0 IHABHN O=C1C[C@@]2(CN1c1ccc(F)cc1)COCCN(Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104702 557037911 /nfs/dbraw/zinc/03/79/11/557037911.db2.gz RKQSRURNIKPOGB-HSZRJFAPSA-N 0 3 438.528 3.600 40 0 IHABHN Cc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(C3CCCC3)CC2)cc1 ZINC000022929271 557049374 /nfs/dbraw/zinc/04/93/74/557049374.db2.gz GHOBWHARYFVVNU-DEOSSOPVSA-N 0 3 434.563 3.819 40 0 IHABHN CCOC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000006577007 557122052 /nfs/dbraw/zinc/12/20/52/557122052.db2.gz RMZWPBIXXJEQBB-HKBOAZHASA-N 0 3 432.432 3.507 40 0 IHABHN Cc1c(C)n(C[C@H](O)CN(CCCO)Cc2ccc(OCCF)cc2)c2ccccc12 ZINC000585270478 557151113 /nfs/dbraw/zinc/15/11/13/557151113.db2.gz XMYZGNLQPZOESQ-JOCHJYFZSA-N 0 3 428.548 3.852 40 0 IHABHN CN(C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)c3cccc(F)c3)CC2)c2ccccc21 ZINC000096052887 557166038 /nfs/dbraw/zinc/16/60/38/557166038.db2.gz WFMUJKDFZOVHFM-HXUWFJFHSA-N 0 3 437.559 3.555 40 0 IHABHN O=C(N[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O)c1ccc(OCCN2CCCC2)cc1 ZINC000585261656 557195126 /nfs/dbraw/zinc/19/51/26/557195126.db2.gz URVGIDCKWHJPCV-UBFVSLLYSA-N 0 3 438.568 3.642 40 0 IHABHN CC(C)(N)C(=O)N1CCC(c2cccc(Nc3ncc(CC(F)(F)F)s3)n2)CC1 ZINC000585263295 557204011 /nfs/dbraw/zinc/20/40/11/557204011.db2.gz VGLJRJLSKQKUSY-UHFFFAOYSA-N 0 3 427.496 3.830 40 0 IHABHN COCCC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2ccc(OC)c(C)c2C)CC1 ZINC000057774016 557263632 /nfs/dbraw/zinc/26/36/32/557263632.db2.gz 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CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC(C)C)cc3)cc2)CC1 ZINC000017095089 557485433 /nfs/dbraw/zinc/48/54/33/557485433.db2.gz IARWNEQPTTWTKE-UHFFFAOYSA-N 0 3 426.586 3.743 40 0 IHABHN CCOCc1cc(C[N@H+]2CCC[C@H](c3cc(=O)[n-]c(-c4cccnc4)n3)C2)ccc1OC ZINC000072393164 568615309 /nfs/dbraw/zinc/61/53/09/568615309.db2.gz MMNBJVZPCHBSTC-FQEVSTJZSA-N 0 3 434.540 3.757 40 0 IHABHN CCCc1ccc(OCc2ccccc2)c(CN(C)[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)c1 ZINC000257246052 568686791 /nfs/dbraw/zinc/68/67/91/568686791.db2.gz ISGCAKOJTKVBQN-RGSZASNESA-N 0 3 438.612 3.874 40 0 IHABHN CC(=O)Nc1cc(NC(=O)CN2C[C@H]3[C@@H](C2)CCC[C@@H]3Cc2cc(C)ncn2)ccc1C ZINC000257265507 568695504 /nfs/dbraw/zinc/69/55/04/568695504.db2.gz LYXLSORXKMSGCY-TXTKFYIRSA-N 0 3 435.572 3.581 40 0 IHABHN COc1ccccc1CN1CC[C@H](c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)C1 ZINC000257292304 568707935 /nfs/dbraw/zinc/70/79/35/568707935.db2.gz QKWSVWWMTGCAMT-FQEVSTJZSA-N 0 3 449.599 3.801 40 0 IHABHN CN(C)C(=O)[C@]1(c2ccccn2)CCCN(Cc2cccc(OCc3ccccn3)c2)C1 ZINC000257303337 568712818 /nfs/dbraw/zinc/71/28/18/568712818.db2.gz SGUGLJSJKYMSSM-AREMUKBSSA-N 0 3 430.552 3.678 40 0 IHABHN O=C(C1CCN(Cc2cccnc2)CC1)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 ZINC000257309823 568715395 /nfs/dbraw/zinc/71/53/95/568715395.db2.gz UCNHZXVEGFJZLG-QFIPXVFZSA-N 0 3 448.546 3.505 40 0 IHABHN O=C(C1CCN(Cc2cccnc2)CC1)N1CCC[C@H]1c1nnc(Cc2ccc(F)cc2)[nH]1 ZINC000257309823 568715399 /nfs/dbraw/zinc/71/53/99/568715399.db2.gz UCNHZXVEGFJZLG-QFIPXVFZSA-N 0 3 448.546 3.505 40 0 IHABHN Cc1nc2cc([C@@H]3CCN(Cc4cccs4)C3)nn2c(C)c1CCC(=O)NC(C)C ZINC000257321650 568720808 /nfs/dbraw/zinc/72/08/08/568720808.db2.gz WCOSJFOPLMPTGP-GOSISDBHSA-N 0 3 425.602 3.854 40 0 IHABHN CN(C)c1cc([C@H]2CCCN(C(=O)C3(Cc4ccccc4F)CCN(C)CC3)C2)ccn1 ZINC000257324329 568721960 /nfs/dbraw/zinc/72/19/60/568721960.db2.gz WOENORRYRUTLFN-QFIPXVFZSA-N 0 3 438.591 3.947 40 0 IHABHN Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 ZINC000257327413 568723167 /nfs/dbraw/zinc/72/31/67/568723167.db2.gz XBFNOPVHIIOPPF-MRXNPFEDSA-N 0 3 429.521 3.575 40 0 IHABHN O=C1N(Cc2ccsc2)CCO[C@@]12CN(Cc1cccc(F)c1)C[C@H]2c1cccnc1 ZINC000306128352 568765201 /nfs/dbraw/zinc/76/52/01/568765201.db2.gz GYLONOFBTDSHJC-LADGPHEKSA-N 0 3 437.540 3.679 40 0 IHABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3ccc(Cl)cc3)C[C@@H]1C2 ZINC000306129497 568765652 /nfs/dbraw/zinc/76/56/52/568765652.db2.gz IFAKMTXMZBOARO-HOTGVXAUSA-N 0 3 425.895 3.627 40 0 IHABHN COC(=O)N1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(Cc3cccs3)CC2)C1 ZINC000306141174 568771965 /nfs/dbraw/zinc/77/19/65/568771965.db2.gz VNBMMGDNALFHQI-UHFFFAOYSA-N 0 3 441.532 3.719 40 0 IHABHN C[C@H]1Cc2cc([C@@H](O)CN3CC=C(c4ccc(Cl)cc4)CC3)ccc2N1S(C)(=O)=O ZINC000019497848 569226793 /nfs/dbraw/zinc/22/67/93/569226793.db2.gz PYPHQEWBAGWPNV-HJPURHCSSA-N 0 3 447.000 3.873 40 0 IHABHN C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)[C@H](c4ccccc4)C4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000019590212 569227250 /nfs/dbraw/zinc/22/72/50/569227250.db2.gz NTNGDOTZDZICGB-XUZZJYLKSA-N 0 3 448.611 3.828 40 0 IHABHN C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)[C@H](c4ccccc4)C4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000019590212 569227251 /nfs/dbraw/zinc/22/72/51/569227251.db2.gz NTNGDOTZDZICGB-XUZZJYLKSA-N 0 3 448.611 3.828 40 0 IHABHN COc1cc(CN2CC[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)ccc1OC(C)C ZINC000019695017 569229509 /nfs/dbraw/zinc/22/95/09/569229509.db2.gz NGKVSDKOFRURJB-IBGZPJMESA-N 0 3 448.571 3.785 40 0 IHABHN COc1cc(C)ccc1CN1CC[C@H](c2c3cccnc3sc2C(=O)N(C)CCO)C1 ZINC000019702563 569232218 /nfs/dbraw/zinc/23/22/18/569232218.db2.gz OLCWTNVTYMHAKB-SFHVURJKSA-N 0 3 439.581 3.667 40 0 IHABHN CC(=O)NCc1cnn(-c2ccc(C)cc2)c1[C@H]1CCN(Cc2cnc(C(C)C)nc2)C1 ZINC000019708008 569234565 /nfs/dbraw/zinc/23/45/65/569234565.db2.gz YRBHIWOGNATQNX-NRFANRHFSA-N 0 3 432.572 3.720 40 0 IHABHN COCc1cc(CN2CC[C@H](c3nc(C)c4c(n3)N(C)C(=O)CC4)C2)ccc1OC(C)C ZINC000019739005 569236364 /nfs/dbraw/zinc/23/63/64/569236364.db2.gz HMVKPFWEMKBSKP-IBGZPJMESA-N 0 3 438.572 3.617 40 0 IHABHN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccc(OC)cc2)cc1 ZINC000017748931 569265168 /nfs/dbraw/zinc/26/51/68/569265168.db2.gz FBYKKEJUYQCEDB-VABKMULXSA-N 0 3 448.450 3.894 40 0 IHABHN CCOC[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1 ZINC000252514263 569288160 /nfs/dbraw/zinc/28/81/60/569288160.db2.gz BQPFAFUNMDBNGR-VAMGGRTRSA-N 0 3 438.387 3.679 40 0 IHABHN Cc1cc(Nc2cc(-c3cccnc3)nc(NCCN(C)C)n2)ccc1Br ZINC000329018346 569583973 /nfs/dbraw/zinc/58/39/73/569583973.db2.gz NQDKWTBGYSICLV-UHFFFAOYSA-N 0 3 427.350 4.327 40 0 IHABHN CC(=O)N1CCN(C[C@@H]2C=C(C)[C@H](Cc3nnc(-c4cccnc4)o3)C[C@H]2C(C)C)CC1 ZINC000030882875 291364342 /nfs/dbraw/zinc/36/43/42/291364342.db2.gz VHTIRHSNKMDBHN-VABKMULXSA-N 0 3 437.588 3.693 40 0 biogenic,in-vitro IHABHN COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000008735666 556204861 /nfs/dbraw/zinc/20/48/61/556204861.db2.gz APARKEVXSWZVIP-BDTNDASRSA-N 0 3 446.434 3.663 40 0 IHABHN Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC[NH+]3CCCC3)cc2Cl)cc1 ZINC000044845488 556669480 /nfs/dbraw/zinc/66/94/80/556669480.db2.gz RYHBRGCIUSMZGC-UHFFFAOYSA-N 0 3 435.977 3.665 40 0 IHABHN CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c(Cl)c1 ZINC000044875251 556673881 /nfs/dbraw/zinc/67/38/81/556673881.db2.gz BGQOBOMHYOIRMV-UHFFFAOYSA-N 0 3 435.977 3.627 40 0 IHABHN CC(C)C(=O)N1CCC[C@H](c2cc(=O)[n-]c(C3CC[NH+](Cc4ccsc4)CC3)n2)C1 ZINC000019085475 556699311 /nfs/dbraw/zinc/69/93/11/556699311.db2.gz AWKNJKUKFLFHDV-IBGZPJMESA-N 0 3 428.602 3.573 40 0 IHABHN CN1CCN([C@H]2CC[C@](CNC(=O)C3(C)CCCCC3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257207580 556702003 /nfs/dbraw/zinc/70/20/03/556702003.db2.gz BIJLLMMUPOLUDL-DPZBCOQUSA-N 0 3 441.660 3.562 40 0 IHABHN CC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)c(C)cc2O3)cc1 ZINC000019125660 556703232 /nfs/dbraw/zinc/70/32/32/556703232.db2.gz UQAUMGXHIRLYEN-FGZHOGPDSA-N 0 3 444.959 3.991 40 0 IHABHN Cc1ccccc1CN1CCC[C@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO ZINC000019237196 556722062 /nfs/dbraw/zinc/72/20/62/556722062.db2.gz VUPUDRYTKIDKJZ-QHCPKHFHSA-N 0 3 432.572 3.578 40 0 IHABHN CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3ccccc3OC)cc2c1 ZINC000000880592 556732335 /nfs/dbraw/zinc/73/23/35/556732335.db2.gz FPBWYZUHNZCVSD-UHFFFAOYSA-N 0 3 438.597 3.860 40 0 IHABHN O=C(C1CC1)N1CCCc2cc([C@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 ZINC000019332966 556737517 /nfs/dbraw/zinc/73/75/17/556737517.db2.gz SVWKEKLZZWAMQW-XMMPIXPASA-N 0 3 438.543 3.532 40 0 IHABHN O=C(c1cccs1)N1CCc2nc([C@@H]3CCC[N@@H+](C4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000019342758 556740618 /nfs/dbraw/zinc/74/06/18/556740618.db2.gz JVRMXYIUNQLARV-MRXNPFEDSA-N 0 3 426.586 3.542 40 0 IHABHN O=C(c1cccs1)N1CCc2nc([C@@H]3CCC[N@H+](C4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000019342758 556740620 /nfs/dbraw/zinc/74/06/20/556740620.db2.gz JVRMXYIUNQLARV-MRXNPFEDSA-N 0 3 426.586 3.542 40 0 IHABHN O=C(c1cccs1)N1CCc2nc([C@@H]3CCC[N@H+](CC4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000019342775 556740680 /nfs/dbraw/zinc/74/06/80/556740680.db2.gz LCXMUTOTOIQKOV-GOSISDBHSA-N 0 3 440.613 3.790 40 0 IHABHN O=C(c1cccs1)N1CCc2nc([C@@H]3CCC[N@@H+](CC4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000019342775 556740681 /nfs/dbraw/zinc/74/06/81/556740681.db2.gz LCXMUTOTOIQKOV-GOSISDBHSA-N 0 3 440.613 3.790 40 0 IHABHN O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2-n2cccn2)C1)[C@@H]1CCCO1 ZINC000019348953 556744196 /nfs/dbraw/zinc/74/41/96/556744196.db2.gz XFLDUEHBXKIJLB-TUSQITKMSA-N 0 3 445.567 3.516 40 0 IHABHN CCCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2cnn(C)c2)C1 ZINC000019503575 556775354 /nfs/dbraw/zinc/77/53/54/556775354.db2.gz HCUQHCBLKUXLEY-SANMLTNESA-N 0 3 431.584 3.833 40 0 IHABHN COc1ccc2c(c1)[nH]cc2[C@H](O)CN1CCC2(CC1)C[C@H](O)c1cc(OC)ccc1O2 ZINC000019562180 556803513 /nfs/dbraw/zinc/80/35/13/556803513.db2.gz AXJSHCAYUXIJLL-XZOQPEGZSA-N 0 3 438.524 3.569 40 0 IHABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3c(C)n(C)c4ccccc43)CC1)C[C@H]2O ZINC000019581807 556819903 /nfs/dbraw/zinc/81/99/03/556819903.db2.gz VGIPPHQKHBQJPV-PKTZIBPZSA-N 0 3 436.552 3.879 40 0 IHABHN CN(C)CCN[C@@H]1c2cc(-c3ccc(F)cc3)cnc2Sc2nc(-c3cccnc3)nn21 ZINC000019582917 556820338 /nfs/dbraw/zinc/82/03/38/556820338.db2.gz GWDLZTMYEQIDBB-NRFANRHFSA-N 0 3 447.543 3.704 40 0 IHABHN CN(CCOc1ccccc1)Cc1c2nccnc2[nH]c1C1CCN(C(=O)C2CCC2)CC1 ZINC000019586162 556823152 /nfs/dbraw/zinc/82/31/52/556823152.db2.gz XDRDYNHLPAZJDU-UHFFFAOYSA-N 0 3 447.583 3.975 40 0 IHABHN CN1CCN(c2ncc(-c3ccncc3)c([C@H]3CCCN(Cc4ccc(F)cc4)C3)n2)CC1 ZINC000019590124 556824956 /nfs/dbraw/zinc/82/49/56/556824956.db2.gz DEEMJQCZSHRIGI-QFIPXVFZSA-N 0 3 446.574 3.809 40 0 IHABHN CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2ccc(OC)cc2F)C1 ZINC000019591280 556826388 /nfs/dbraw/zinc/82/63/88/556826388.db2.gz HXOXEGQGJKXJPW-AREMUKBSSA-N 0 3 448.542 3.862 40 0 IHABHN CCOc1ccc(CN2CCC[C@@H](c3cc(-c4cnc(N)nc4)cc(C)n3)C2)cc1CO ZINC000072353771 556928070 /nfs/dbraw/zinc/92/80/70/556928070.db2.gz FIEDNUVILXPLQC-LJQANCHMSA-N 0 3 433.556 3.700 40 0 IHABHN COc1cc2c(cc1CN1CCC[C@H](c3cc(-c4cnc(N)nc4)cc(C)n3)C1)OCCO2 ZINC000072353765 556928114 /nfs/dbraw/zinc/92/81/14/556928114.db2.gz UPKVTIYWEFJYIR-KRWDZBQOSA-N 0 3 447.539 3.589 40 0 IHABHN COc1ccc(CN2CCC([C@H]3CC=CCN(C)C3=O)CC2)cc1Cn1nc(C)cc1C ZINC000072371062 556937355 /nfs/dbraw/zinc/93/73/55/556937355.db2.gz QEKPVTZKWCKYNI-XMMPIXPASA-N 0 3 436.600 3.803 40 0 IHABHN CN1CCCC[C@](C)(C2CCN(Cc3ccccc3OCCN3CCCC3=O)CC2)C1=O ZINC000072372051 556941926 /nfs/dbraw/zinc/94/19/26/556941926.db2.gz SGQOUZPQCZLGHM-AREMUKBSSA-N 0 3 441.616 3.548 40 0 IHABHN CC(C)C(=O)N1CCC(c2nc([C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)cc(=O)[n-]2)CC1 ZINC000072399211 556971782 /nfs/dbraw/zinc/97/17/82/556971782.db2.gz OBNBZOKNHGNGCS-FQEVSTJZSA-N 0 3 440.563 3.651 40 0 IHABHN CC(C)C(=O)N1CCC(c2nc([C@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)cc(=O)[n-]2)CC1 ZINC000072399211 556971784 /nfs/dbraw/zinc/97/17/84/556971784.db2.gz OBNBZOKNHGNGCS-FQEVSTJZSA-N 0 3 440.563 3.651 40 0 IHABHN COc1cccc([C@@H]2CN(C(=O)CN3CC[C@H]4CCCC[C@H]4C3)C[C@H]2c2csnn2)c1 ZINC000257215957 556981307 /nfs/dbraw/zinc/98/13/07/556981307.db2.gz CSKWEIGZPNEZTK-QTPAZIJBSA-N 0 3 440.613 3.768 40 0 IHABHN COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c1 ZINC000102734993 557131677 /nfs/dbraw/zinc/13/16/77/557131677.db2.gz VQCOQBCTHBUVPH-XPWALMASSA-N 0 3 448.450 3.894 40 0 IHABHN COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c1 ZINC000102734987 557131836 /nfs/dbraw/zinc/13/18/36/557131836.db2.gz VQCOQBCTHBUVPH-RJGXRXQPSA-N 0 3 448.450 3.894 40 0 IHABHN CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)ccc1O ZINC000102752936 557132286 /nfs/dbraw/zinc/13/22/86/557132286.db2.gz QBRWSSZSUDHTHM-XPWALMASSA-N 0 3 448.450 3.981 40 0 IHABHN COc1cc(CNCc2ccc(F)cc2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000022108260 557177492 /nfs/dbraw/zinc/17/74/92/557177492.db2.gz BUVHJQLVLXBPBE-UHFFFAOYSA-N 0 3 433.487 3.987 40 0 IHABHN CN(C)[C@@H]1CCN(C(=O)c2cnc(-c3noc4cc(N5CCCCC5)ccc43)s2)C1 ZINC000096154638 557178783 /nfs/dbraw/zinc/17/87/83/557178783.db2.gz OQAWGWILUNNWHN-MRXNPFEDSA-N 0 3 425.558 3.718 40 0 IHABHN Cc1ccccc1OC[C@@]1(O)COCCN(C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C1 ZINC000585286699 557225671 /nfs/dbraw/zinc/22/56/71/557225671.db2.gz HVUPOVPIMZIECS-DMDYGQEQSA-N 0 3 425.569 3.526 40 0 IHABHN COc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3cccc(Cl)c3)cc2c1 ZINC000011340495 557228459 /nfs/dbraw/zinc/22/84/59/557228459.db2.gz BIXWDTYLLZNBNE-UHFFFAOYSA-N 0 3 444.988 3.951 40 0 IHABHN COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(OC(C)C)cc2)C1 ZINC000057774132 557264136 /nfs/dbraw/zinc/26/41/36/557264136.db2.gz HZIKANNGKYALMR-OFVILXPXSA-N 0 3 425.573 3.975 40 0 IHABHN COc1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000022929467 557277857 /nfs/dbraw/zinc/27/78/57/557277857.db2.gz XTFMHQCCXVWLMS-RUZDIDTESA-N 0 3 446.599 3.770 40 0 IHABHN NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCCN2CCOc2ccc(F)cc2)cc1 ZINC000072377105 557388976 /nfs/dbraw/zinc/38/89/76/557388976.db2.gz CGJZKAMZDZVNJQ-NRFANRHFSA-N 0 3 435.503 3.570 40 0 IHABHN Cc1ccccc1CNC[C@H]1O[C@H](Cc2cc(CN(C)Cc3ccccc3)on2)CC[C@@H]1O ZINC000096268991 560054271 /nfs/dbraw/zinc/05/42/71/560054271.db2.gz UNXCHGXKTZMTEC-DOEKTCAHSA-N 0 3 449.595 3.856 40 0 biogenic,in-vitro IHABHN Cc1ccc(CNC[C@H]2O[C@H](Cc3cc(CN(C)Cc4ccccc4)on3)CC[C@@H]2O)cc1 ZINC000096268992 560054283 /nfs/dbraw/zinc/05/42/83/560054283.db2.gz FMIHEGIKJSDLIF-DOEKTCAHSA-N 0 3 449.595 3.856 40 0 biogenic,in-vitro IHABHN OC1(COc2ccc(F)cc2)CCN(Cc2cccc(OCCCn3ccnc3)c2)CC1 ZINC000585270007 568616721 /nfs/dbraw/zinc/61/67/21/568616721.db2.gz AFRGGSVNKUROAC-UHFFFAOYSA-N 0 3 439.531 3.897 40 0 IHABHN O[C@]1(COc2ccccc2F)CCCN(Cc2cccc(OCCn3ccnc3)c2)CC1 ZINC000585272827 568618157 /nfs/dbraw/zinc/61/81/57/568618157.db2.gz OWIWONQJOZOAKE-RUZDIDTESA-N 0 3 439.531 3.897 40 0 IHABHN O=C(c1ccc(OCCN2CCCCC2)cc1)N1CCC[C@@H]1c1cncc(-n2ccnc2)n1 ZINC000257274261 568699415 /nfs/dbraw/zinc/69/94/15/568699415.db2.gz NKFWZTWQWOKLHI-HSZRJFAPSA-N 0 3 446.555 3.504 40 0 IHABHN CN(C)c1ncc(-c2cnn(C)c2)c([C@@H]2CCN(Cc3ccc4c(c3)CC(C)(C)O4)C2)n1 ZINC000257296517 568709913 /nfs/dbraw/zinc/70/99/13/568709913.db2.gz RDEPNBJZWUYSSV-GOSISDBHSA-N 0 3 432.572 3.646 40 0 IHABHN CC(C)c1ccc(C[C@]2(C)Cc3cc(CC(=O)N(CCO)CCN(C)C)ccc3O2)cc1 ZINC000257313668 568717139 /nfs/dbraw/zinc/71/71/39/568717139.db2.gz UTOPCNHYFQNIAW-HHHXNRCGSA-N 0 3 438.612 3.671 40 0 IHABHN CCN(CC)S(=O)(=O)N1CCC[C@H](c2cc(Nc3ccc(OC)cc3)cc(C)n2)C1 ZINC000257318339 568719118 /nfs/dbraw/zinc/71/91/18/568719118.db2.gz VNMLUVPFQHDALU-SFHVURJKSA-N 0 3 432.590 3.908 40 0 IHABHN O=C(N[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O)c1cccc(OCCN2CCCC2)c1 ZINC000257339863 568728475 /nfs/dbraw/zinc/72/84/75/568728475.db2.gz ZDMWDTGAXKHQRO-UBFVSLLYSA-N 0 3 438.568 3.642 40 0 IHABHN COc1cccc(Nc2cc(C)nc([C@H]3CCCN(S(=O)(=O)N4CCCC4)C3)c2)c1 ZINC000257344185 568730217 /nfs/dbraw/zinc/73/02/17/568730217.db2.gz ZWCIYPLQUSPOHA-SFHVURJKSA-N 0 3 430.574 3.662 40 0 IHABHN Cc1ccc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccsc2)C3=O)s1 ZINC000306127614 568764675 /nfs/dbraw/zinc/76/46/75/568764675.db2.gz GDOQMCWZXNDYTF-FYYLOGMGSA-N 0 3 439.606 3.910 40 0 IHABHN Cc1nc2c(n1C(C)C)CN(C(=O)c1cnccn1)CC21CCN(Cc2ccccc2)CC1 ZINC000306129961 568765903 /nfs/dbraw/zinc/76/59/03/568765903.db2.gz ISQBNNZSUTUXAE-UHFFFAOYSA-N 0 3 444.583 3.752 40 0 IHABHN COc1ccc(CN2CCO[C@]3(CN(Cc4cccs4)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306141387 568772240 /nfs/dbraw/zinc/77/22/40/568772240.db2.gz VUEBYPPTLUMWSP-NOZRDPDXSA-N 0 3 449.576 3.549 40 0 IHABHN Cc1nc(CN2CC[C@@]3(CN(Cc4ccco4)C[C@@H]3c3cn(C(C)C)cn3)C2=O)cs1 ZINC000306145172 568774164 /nfs/dbraw/zinc/77/41/64/568774164.db2.gz ZZYUBXUSCVRKCT-OFNKIYASSA-N 0 3 439.585 3.840 40 0 IHABHN CN(C)CCNc1nc(NCc2cccs2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328962936 568807751 /nfs/dbraw/zinc/80/77/51/568807751.db2.gz BKYTZAIKHMEHSV-UHFFFAOYSA-N 0 3 437.491 3.533 40 0 IHABHN COCCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(OC(C)C)cc2)C1 ZINC000227308189 569183128 /nfs/dbraw/zinc/18/31/28/569183128.db2.gz HZIKANNGKYALMR-PXDATVDWSA-N 0 3 425.573 3.975 40 0 IHABHN CC(=O)N1c2ccc([C@H](O)CN3CCC[C@@](O)(c4ccc(F)cc4)CC3)cc2C[C@H]1C ZINC000012188759 569224919 /nfs/dbraw/zinc/22/49/19/569224919.db2.gz JAKBBXJVHXQKSW-JHTITAFHSA-N 0 3 426.532 3.530 40 0 IHABHN CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CN(C[C@@H](C)c2ccccc2)CCO1 ZINC000019456209 569226695 /nfs/dbraw/zinc/22/66/95/569226695.db2.gz WHFVWYAFFYCGAW-ZBLYBZFDSA-N 0 3 429.564 3.912 40 0 IHABHN CCOC[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000252514264 569288196 /nfs/dbraw/zinc/28/81/96/569288196.db2.gz BQPFAFUNMDBNGR-XUVXKRRUSA-N 0 3 438.387 3.679 40 0 IHABHN COCCNC(=O)c1cc([C@H]2CCN(Cc3cccc(C)c3OC)C2)nc2ccccc21 ZINC000019761961 569328910 /nfs/dbraw/zinc/32/89/10/569328910.db2.gz VNABSNBCJFNBNN-IBGZPJMESA-N 0 3 433.552 3.918 40 0 IHABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218631833 569458901 /nfs/dbraw/zinc/45/89/01/569458901.db2.gz UGWFIKWKIQAQFF-LQWHRVPQSA-N 0 3 436.961 3.502 40 0 IHABHN FC(F)(F)c1nc2c(nnn2Cc2ccccc2)c(N2CCN(C3CCCCC3)CC2)n1 ZINC000013563762 132350121 /nfs/dbraw/zinc/35/01/21/132350121.db2.gz WHWDNXDUXOSNDO-UHFFFAOYSA-N 0 3 445.493 3.743 40 0 IHABHN CN(c1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1)S(C)(=O)=O ZINC000038856547 556625740 /nfs/dbraw/zinc/62/57/40/556625740.db2.gz HYLXMSIEWGKOGN-QGZVFWFLSA-N 0 3 435.977 3.587 40 0 IHABHN CC(C)C(=O)N1CCC[C@@H](c2cc(=O)[n-]c(C3CC[NH+](CC4CCCCC4)CC3)n2)C1 ZINC000019085469 556699359 /nfs/dbraw/zinc/69/93/59/556699359.db2.gz HYENFLRFXVUNSV-OAQYLSRUSA-N 0 3 428.621 3.892 40 0 IHABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1OC ZINC000019125176 556702895 /nfs/dbraw/zinc/70/28/95/556702895.db2.gz DEMQNPMNPGBYCA-LEWJYISDSA-N 0 3 427.541 3.705 40 0 IHABHN O=C(c1ccccc1CN1CCCCC1)N1CCOC[C@@H](Cc2cccc3n[nH]cc32)C1 ZINC000257220272 556707394 /nfs/dbraw/zinc/70/73/94/556707394.db2.gz DKFUOINPUSNCTP-FQEVSTJZSA-N 0 3 432.568 3.880 40 0 IHABHN O=C(CC[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1)Nc1nccs1 ZINC000257248146 556711467 /nfs/dbraw/zinc/71/14/67/556711467.db2.gz JCHSRSYLZXWXLI-LEWJYISDSA-N 0 3 434.565 3.792 40 0 IHABHN Cc1c2cc(C)ccc2oc1C(=O)N1CCC[C@H](c2cc(=O)[n-]c(C3CC[NH+](C)CC3)n2)C1 ZINC000019220384 556715070 /nfs/dbraw/zinc/71/50/70/556715070.db2.gz BNFJNTSXNRAMJA-IBGZPJMESA-N 0 3 448.567 3.962 40 0 IHABHN Cc1cccc(C2(O)CCN(C[C@H](O)c3ccc4c(c3)CCCN4C(=O)C(C)C)CC2)c1 ZINC000019234502 556718817 /nfs/dbraw/zinc/71/88/17/556718817.db2.gz IGMHLHXORZPCBK-VWLOTQADSA-N 0 3 436.596 3.947 40 0 IHABHN COc1cccc(CN2CCC[C@@H](c3nn(C)cc3-c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019290175 556730065 /nfs/dbraw/zinc/73/00/65/556730065.db2.gz XAEAPUYVSFWOIL-HXUWFJFHSA-N 0 3 432.572 3.866 40 0 IHABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccncc4)[C@@H]3C2=O)cc1 ZINC000013769885 556730109 /nfs/dbraw/zinc/73/01/09/556730109.db2.gz ZZEGYUHGFNNAND-VABKMULXSA-N 0 3 429.476 3.922 40 0 IHABHN COc1ccc(OC)c(CN2CC[C@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c1 ZINC000019551419 556795633 /nfs/dbraw/zinc/79/56/33/556795633.db2.gz IGRACLSGJMTQQR-AREMUKBSSA-N 0 3 431.536 3.686 40 0 IHABHN COc1cccc(CN2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1OC ZINC000019567766 556807894 /nfs/dbraw/zinc/80/78/94/556807894.db2.gz LFIMDXPIJQPDOG-SFHVURJKSA-N 0 3 448.571 3.864 40 0 IHABHN CS(=O)(=O)N1CCCc2cc([C@@H](O)CN3CC=C(c4ccc(Cl)cc4)CC3)ccc21 ZINC000019572425 556812471 /nfs/dbraw/zinc/81/24/71/556812471.db2.gz DBQDUEHXVQIWQO-QHCPKHFHSA-N 0 3 447.000 3.875 40 0 IHABHN COCc1ccccc1CNC(=O)c1ccc([C@@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000019706084 556863990 /nfs/dbraw/zinc/86/39/90/556863990.db2.gz HOHXOUKJUAFKEB-JOCHJYFZSA-N 0 3 430.552 3.933 40 0 IHABHN CNc1nc([C@H]2CCCN2)nc2c1CCN(C(=O)C1(c3ccc(OC)cc3)CCCCC1)C2 ZINC000019707283 556866501 /nfs/dbraw/zinc/86/65/01/556866501.db2.gz OFZPIIVAJJHFMD-OAQYLSRUSA-N 0 3 449.599 3.738 40 0 IHABHN CNc1nc([C@@H]2CCCN2)nc2c1CN(CC(=O)Nc1ccccc1-c1ccccc1)CC2 ZINC000019710810 556874412 /nfs/dbraw/zinc/87/44/12/556874412.db2.gz RPXDDHKRAXAGDV-QHCPKHFHSA-N 0 3 442.567 3.607 40 0 IHABHN Cc1cccc(OCCN2CCC(Cc3nn(C)cc3C(=O)Nc3nccs3)CC2)c1 ZINC000019756504 556900465 /nfs/dbraw/zinc/90/04/65/556900465.db2.gz RLIBDVRVNQFRAT-UHFFFAOYSA-N 0 3 439.585 3.771 40 0 IHABHN CCS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3ccc(C)c(C)c3)CC2)o1 ZINC000072344914 556916136 /nfs/dbraw/zinc/91/61/36/556916136.db2.gz HZVJFEMQPYXWAZ-NRFANRHFSA-N 0 3 446.617 3.943 40 0 IHABHN CN1CCN(Cc2ccc(-c3c[nH]nc3[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC000072360813 556933243 /nfs/dbraw/zinc/93/32/43/556933243.db2.gz MXCFYXRVLCZHJJ-NRFANRHFSA-N 0 3 439.604 3.939 40 0 IHABHN CN1CCN(Cc2ccc(-c3cn[nH]c3[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC000072360813 556933246 /nfs/dbraw/zinc/93/32/46/556933246.db2.gz MXCFYXRVLCZHJJ-NRFANRHFSA-N 0 3 439.604 3.939 40 0 IHABHN Cc1cc(Nc2cccc(C3CCN(Cc4ccc5c(c4)n(C)c(=O)n5C)CC3)n2)no1 ZINC000072376176 556954259 /nfs/dbraw/zinc/95/42/59/556954259.db2.gz ZEOCRASAYFEQIX-UHFFFAOYSA-N 0 3 432.528 3.692 40 0 IHABHN COc1cccc(-c2ccc3ccc(-n4nccc4C(=O)N4CC[C@H](N(C)C)C4)n3c2)c1 ZINC000096155290 557179736 /nfs/dbraw/zinc/17/97/36/557179736.db2.gz XPMZVBAQCCYBGD-NRFANRHFSA-N 0 3 429.524 3.577 40 0 IHABHN Cn1ccnc1COc1ccc(CN2CCC[C@](O)(COc3ccccc3F)CC2)cc1 ZINC000585271406 557214498 /nfs/dbraw/zinc/21/44/98/557214498.db2.gz YDQDKKXDKFPANE-RUZDIDTESA-N 0 3 439.531 3.934 40 0 IHABHN CC(=O)N1CCN([C@H]2CC[C@H](c3ccccc3)CC2)C[C@@](O)(COc2cccc(F)c2)C1 ZINC000585281982 557221408 /nfs/dbraw/zinc/22/14/08/557221408.db2.gz DMPKEIYDVRQGLE-QIGHUWCUSA-N 0 3 440.559 3.826 40 0 IHABHN Fc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000022929116 557277478 /nfs/dbraw/zinc/27/74/78/557277478.db2.gz QMNIXPDBWAYAOR-XMMPIXPASA-N 0 3 434.563 3.900 40 0 IHABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc(Br)cc3)CC1)C[C@@H]2O ZINC000013998244 557402619 /nfs/dbraw/zinc/40/26/19/557402619.db2.gz WFMHTROHQNRTAM-PMACEKPBSA-N 0 3 448.357 3.842 40 0 IHABHN CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 ZINC000223280022 557455303 /nfs/dbraw/zinc/45/53/03/557455303.db2.gz RLPIIBPRDLKKFZ-PKTZIBPZSA-N 0 3 435.597 3.805 40 0 IHABHN COc1ccc(NC(=O)[C@H]2C[C@H](CCSC)N[C@@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000015972195 557468459 /nfs/dbraw/zinc/46/84/59/557468459.db2.gz ZYNUTHFIZQWYSX-WPSZSDGUSA-N 0 3 439.581 3.829 40 0 IHABHN COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(CN(C)C)ccc4OC)OCC[C@@]31C2 ZINC000257201782 568666180 /nfs/dbraw/zinc/66/61/80/568666180.db2.gz AJAVPGZYZSIQAK-MFLQQMQESA-N 0 3 444.616 3.792 40 0 IHABHN O=C(C1CCN(Cc2ccccn2)CC1)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 ZINC000257203280 568666747 /nfs/dbraw/zinc/66/67/47/568666747.db2.gz APIAWKTYCVBETI-QFIPXVFZSA-N 0 3 448.546 3.505 40 0 IHABHN O=C(C1CC[NH+](Cc2ccccn2)CC1)N1CCC[C@H]1c1nnc(Cc2ccc(F)cc2)[n-]1 ZINC000257203280 568666751 /nfs/dbraw/zinc/66/67/51/568666751.db2.gz APIAWKTYCVBETI-QFIPXVFZSA-N 0 3 448.546 3.505 40 0 IHABHN Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)COc2ccc(CN3CCCC3)cc2)n1 ZINC000257249123 568688152 /nfs/dbraw/zinc/68/81/52/568688152.db2.gz JGXAEOZRKXBTBA-DEOSSOPVSA-N 0 3 445.567 3.914 40 0 IHABHN COc1cccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)Cn4nnc5ccccc54)C3)c2)c1 ZINC000257273449 568699248 /nfs/dbraw/zinc/69/92/48/568699248.db2.gz NGPXHFTVOPAORM-GOSISDBHSA-N 0 3 442.523 3.903 40 0 IHABHN COc1ccccc1CN1CC[C@@H](c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)C1 ZINC000257292305 568707753 /nfs/dbraw/zinc/70/77/53/568707753.db2.gz QKWSVWWMTGCAMT-HXUWFJFHSA-N 0 3 449.599 3.801 40 0 IHABHN CC(C)c1ccc(C[C@@]2(C)Cc3cc(CC(=O)N(CCO)CCN(C)C)ccc3O2)cc1 ZINC000257313669 568717160 /nfs/dbraw/zinc/71/71/60/568717160.db2.gz UTOPCNHYFQNIAW-MHZLTWQESA-N 0 3 438.612 3.671 40 0 IHABHN Cc1ccc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccsc2)C3=O)s1 ZINC000306127617 568764642 /nfs/dbraw/zinc/76/46/42/568764642.db2.gz GDOQMCWZXNDYTF-JTHBVZDNSA-N 0 3 439.606 3.910 40 0 IHABHN O=C1N(Cc2ccsc2)CCO[C@@]12CN(Cc1cccc(F)c1)C[C@@H]2c1cccnc1 ZINC000306128351 568765155 /nfs/dbraw/zinc/76/51/55/568765155.db2.gz GYLONOFBTDSHJC-ISKFKSNPSA-N 0 3 437.540 3.679 40 0 IHABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3ccccc3Cl)C[C@H]1C2 ZINC000306132783 568767386 /nfs/dbraw/zinc/76/73/86/568767386.db2.gz LSBDLSCRGZKHOH-HZPDHXFCSA-N 0 3 425.895 3.627 40 0 IHABHN COc1cccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCN(C)C)n2)c1 ZINC000328999365 568808821 /nfs/dbraw/zinc/80/88/21/568808821.db2.gz JWUHPAMJZOAWJW-UHFFFAOYSA-N 0 3 447.461 3.612 40 0 IHABHN O=C(c1ccccc1F)N1CCc2c(=O)[n-]c([C@@H]3CC[N@H+](C[C@@H]4CC=CCC4)C3)nc2C1 ZINC000247798803 569206172 /nfs/dbraw/zinc/20/61/72/569206172.db2.gz DSJRLLXGMSUEIF-QZTJIDSGSA-N 0 3 436.531 3.665 40 0 IHABHN O=C(c1ccccc1F)N1CCc2c(=O)[n-]c([C@@H]3CC[N@@H+](C[C@@H]4CC=CCC4)C3)nc2C1 ZINC000247798803 569206174 /nfs/dbraw/zinc/20/61/74/569206174.db2.gz DSJRLLXGMSUEIF-QZTJIDSGSA-N 0 3 436.531 3.665 40 0 IHABHN COc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(C)C(=O)C1S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000009407611 569215243 /nfs/dbraw/zinc/21/52/43/569215243.db2.gz SLJZKUWMQWWDMC-WPYKKVEZSA-N 0 3 429.538 3.715 40 0 IHABHN NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000019700443 569231139 /nfs/dbraw/zinc/23/11/39/569231139.db2.gz WPFLOUJCKGQVGT-UHFFFAOYSA-N 0 3 443.547 3.830 40 0 IHABHN COc1c(C)cccc1CN1CC[C@@H](c2c3cccnc3sc2C(=O)N(C)CCO)C1 ZINC000019702608 569232190 /nfs/dbraw/zinc/23/21/90/569232190.db2.gz ABQNFVBNXQWZJZ-QGZVFWFLSA-N 0 3 439.581 3.667 40 0 IHABHN CCN(CC)CC(=O)N(CC)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3nccs3)cc2)C1 ZINC000019712715 569235445 /nfs/dbraw/zinc/23/54/45/569235445.db2.gz IARSREKQXUQYSR-UXHICEINSA-N 0 3 444.601 3.806 40 0 IHABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccncc4)[C@@H]3C2=O)cc1 ZINC000009282639 569294941 /nfs/dbraw/zinc/29/49/41/569294941.db2.gz ZZEGYUHGFNNAND-ZRBLBEILSA-N 0 3 429.476 3.922 40 0 IHABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccnc4)[C@H]3C2=O)cc1 ZINC000009465908 569296600 /nfs/dbraw/zinc/29/66/00/569296600.db2.gz CGDNNSCPXPIDBQ-ZLNRFVROSA-N 0 3 429.476 3.922 40 0 IHABHN CNCc1cc(N(C)C)nc([C@@H]2CCCN2C(=O)c2oc3ccc(Cl)cc3c2C)n1 ZINC000019760497 569328762 /nfs/dbraw/zinc/32/87/62/569328762.db2.gz PXQYKOJJBWPGRN-KRWDZBQOSA-N 0 3 427.936 3.947 40 0 IHABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218059087 569456200 /nfs/dbraw/zinc/45/62/00/569456200.db2.gz WAPZTEYKJAHIHL-BBTUJRGHSA-N 0 3 436.961 3.502 40 0 IHABHN CCOC[C@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218229222 569456832 /nfs/dbraw/zinc/45/68/32/569456832.db2.gz BQPFAFUNMDBNGR-HSALFYBXSA-N 0 3 438.387 3.679 40 0 IHABHN CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(CCN4CCOCC4)CC3)cc2N1 ZINC000022915837 518948186 /nfs/dbraw/zinc/94/81/86/518948186.db2.gz ZLXAYHDKDSHBAN-RBUKOAKNSA-N 0 3 443.558 3.728 40 0 IHABHN CCOc1ccc(CN2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1OC ZINC000012182122 520972320 /nfs/dbraw/zinc/97/23/20/520972320.db2.gz GUMSRHAIURXJMJ-TXPKVOOTSA-N 0 3 439.482 3.885 40 0 IHABHN CN(C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1cccc(Cl)c1 ZINC000012710694 521749089 /nfs/dbraw/zinc/74/90/89/521749089.db2.gz PHRPISCGQVYOOP-UHFFFAOYSA-N 0 3 442.903 3.506 40 0 IHABHN COc1cc(CNCCCSc2nnnn2C)cc(Cl)c1OCc1ccccc1 ZINC000022109312 522450457 /nfs/dbraw/zinc/45/04/57/522450457.db2.gz CMTOTNHKFGVXIW-UHFFFAOYSA-N 0 3 433.965 3.723 40 0 IHABHN COc1ccccc1NC(=O)N(CCN1CCCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000012703848 524609351 /nfs/dbraw/zinc/60/93/51/524609351.db2.gz LCRRWBSRATWTTB-UHFFFAOYSA-N 0 3 434.540 3.975 40 0 IHABHN COc1cccc(CNCCCSc2nnnn2C)c1OCc1ccccc1Cl ZINC000022109176 526012774 /nfs/dbraw/zinc/01/27/74/526012774.db2.gz QQFNUZAMIYEOET-UHFFFAOYSA-N 0 3 433.965 3.723 40 0 IHABHN CCOC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4C)[C@@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000100799324 556591543 /nfs/dbraw/zinc/59/15/43/556591543.db2.gz KRTFUMFAYMRUBY-FSSWDIPSSA-N 0 3 446.459 3.816 40 0 IHABHN O=C(NCc1cccc(CN2CCOCC2)c1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038830764 556621650 /nfs/dbraw/zinc/62/16/50/556621650.db2.gz KNSLKCBBEQHCJD-QHCPKHFHSA-N 0 3 442.003 3.701 40 0 IHABHN C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857070 556672902 /nfs/dbraw/zinc/67/29/02/556672902.db2.gz ZCLAYDYXWMPHNT-VQIMIIECSA-N 0 3 434.989 3.833 40 0 IHABHN CC(=O)Nc1ccc(CN2CCC(c3cc(N(C)C)nc(-c4cccnc4)n3)CC2)cc1 ZINC000019022441 556694280 /nfs/dbraw/zinc/69/42/80/556694280.db2.gz BFPNVOODGGLPBA-UHFFFAOYSA-N 0 3 430.556 3.943 40 0 IHABHN C[C@H](C(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1)N1CCCC1 ZINC000019078260 556695224 /nfs/dbraw/zinc/69/52/24/556695224.db2.gz MSXGFFFIKZDDKB-ZJPYXAASSA-N 0 3 437.579 3.894 40 0 IHABHN CC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)c(C)cc2O3)cc1 ZINC000019125667 556703305 /nfs/dbraw/zinc/70/33/05/556703305.db2.gz UQAUMGXHIRLYEN-FCHUYYIVSA-N 0 3 444.959 3.991 40 0 IHABHN Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)OCCCO4)CC1)O2 ZINC000019219291 556713783 /nfs/dbraw/zinc/71/37/83/556713783.db2.gz CDRIOIPMAHWFRW-LEWJYISDSA-N 0 3 425.525 3.540 40 0 IHABHN O=C(c1ccc(F)cc1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019331986 556737120 /nfs/dbraw/zinc/73/71/20/556737120.db2.gz ZJCAHXIYASGFQI-QFIPXVFZSA-N 0 3 438.547 3.825 40 0 IHABHN O=C(c1ccc(F)cc1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019331986 556737123 /nfs/dbraw/zinc/73/71/23/556737123.db2.gz ZJCAHXIYASGFQI-QFIPXVFZSA-N 0 3 438.547 3.825 40 0 IHABHN Fc1ccc([C@H](c2nnnn2Cc2cccs2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019343830 556741736 /nfs/dbraw/zinc/74/17/36/556741736.db2.gz KQLGOMMTFREDOH-OAQYLSRUSA-N 0 3 426.565 3.572 40 0 IHABHN O=C(c1ccc2ccccc2n1)N1CCC(O)(CN2CCCC[C@H]2c2cccnc2)CC1 ZINC000019376311 556752117 /nfs/dbraw/zinc/75/21/17/556752117.db2.gz QBGOTWOVENCYRZ-DEOSSOPVSA-N 0 3 430.552 3.824 40 0 IHABHN O[C@@H](CN1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2)c1ccc2c(c1)OCCO2 ZINC000019376358 556752174 /nfs/dbraw/zinc/75/21/74/556752174.db2.gz NXMDEXAUBWOWBC-GOTSBHOMSA-N 0 3 447.531 3.995 40 0 IHABHN CC(C)N1CCc2c(=O)[nH]c([C@@H]3CCCN3C(=O)C3(c4ccc(Cl)cc4)CC3)nc2C1 ZINC000019448381 556758057 /nfs/dbraw/zinc/75/80/57/556758057.db2.gz UFOCLJZNDIBJRY-FQEVSTJZSA-N 0 3 440.975 3.997 40 0 IHABHN CC(C)NC(=O)[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1c1ccnc(N2CCCCC2)n1 ZINC000019449992 556760842 /nfs/dbraw/zinc/76/08/42/556760842.db2.gz PIEXLQBVGAEDSU-FGZHOGPDSA-N 0 3 447.583 3.953 40 0 IHABHN CC(C)[N@@H+]1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccc4c(c3)C[C@H](C)O4)[n-]c2=O)C1 ZINC000019497954 556770301 /nfs/dbraw/zinc/77/03/01/556770301.db2.gz CLVONTLHCYZYFV-HRAATJIYSA-N 0 3 436.556 3.640 40 0 IHABHN CC(C)[N@H+]1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccc4c(c3)C[C@H](C)O4)[n-]c2=O)C1 ZINC000019497954 556770303 /nfs/dbraw/zinc/77/03/03/556770303.db2.gz CLVONTLHCYZYFV-HRAATJIYSA-N 0 3 436.556 3.640 40 0 IHABHN CCN(CCN(C)C)c1nc(-c2cccnc2)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000019526590 556784906 /nfs/dbraw/zinc/78/49/06/556784906.db2.gz QJXFVSMBVVSAGH-UHFFFAOYSA-N 0 3 434.563 3.624 40 0 IHABHN Cc1cc(CN2C[C@@H](C(=O)NC(C)C)[C@H](c3ccnc(N4CCCCC4)n3)C2)c(C)s1 ZINC000019568002 556808288 /nfs/dbraw/zinc/80/82/88/556808288.db2.gz BGAYBKITERUTFZ-NHCUHLMSSA-N 0 3 441.645 3.885 40 0 IHABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3c(C)n(C)c4ccccc43)CC1)C[C@@H]2O ZINC000019581804 556819870 /nfs/dbraw/zinc/81/98/70/556819870.db2.gz VGIPPHQKHBQJPV-GOTSBHOMSA-N 0 3 436.552 3.879 40 0 IHABHN CN(C)c1ncc(-c2cccc(Cl)c2)c(C2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000019695112 556851211 /nfs/dbraw/zinc/85/12/11/556851211.db2.gz RTFGGCPJSFCKSC-UHFFFAOYSA-N 0 3 427.980 3.665 40 0 IHABHN Cc1nc([C@@H]2CCCN(Cc3ccccc3N3CCC(O)CC3)C2)nc2c1CCCN2C ZINC000019706725 556865229 /nfs/dbraw/zinc/86/52/29/556865229.db2.gz OWZOKTKOQVKZNO-OAQYLSRUSA-N 0 3 435.616 3.508 40 0 IHABHN CNC(=O)c1cc([C@H]2CCN(Cc3c[nH]nc3-c3cccc(OC)c3)C2)nc2ccccc21 ZINC000019761948 556905872 /nfs/dbraw/zinc/90/58/72/556905872.db2.gz ANWDXDLXLVWUTN-SFHVURJKSA-N 0 3 441.535 3.983 40 0 IHABHN CCc1ccc(NC(=O)CC2C(=O)N(CCCn3ccnc3)c3nc4ccccc4n32)cc1 ZINC000019819465 556922925 /nfs/dbraw/zinc/92/29/25/556922925.db2.gz FEMLTSWYWYVEGG-JOCHJYFZSA-N 0 3 442.523 3.802 40 0 IHABHN Cc1nccn1CCC(=O)N1CC[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371534 556939506 /nfs/dbraw/zinc/93/95/06/556939506.db2.gz OOPLJKGIFLZECB-QGZVFWFLSA-N 0 3 427.936 3.596 40 0 IHABHN Cc1ccc([C@@H](CNc2cc(-c3ccnc(N4CCOCC4)c3)nc(C)n2)N(C)C)cc1 ZINC000072373250 556945875 /nfs/dbraw/zinc/94/58/75/556945875.db2.gz LUULUBRAQFBKLG-HSZRJFAPSA-N 0 3 432.572 3.707 40 0 IHABHN CC(C)[N@@H+]1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccc4c(c3)C[C@@H](C)O4)[n-]c2=O)C1 ZINC000072399104 556971436 /nfs/dbraw/zinc/97/14/36/556971436.db2.gz CLVONTLHCYZYFV-IIBYNOLFSA-N 0 3 436.556 3.640 40 0 IHABHN CC(C)[N@H+]1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccc4c(c3)C[C@@H](C)O4)[n-]c2=O)C1 ZINC000072399104 556971439 /nfs/dbraw/zinc/97/14/39/556971439.db2.gz CLVONTLHCYZYFV-IIBYNOLFSA-N 0 3 436.556 3.640 40 0 IHABHN CC(C)[N@@H+]1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccc4c(c3)C[C@@H](C)O4)[n-]c2=O)C1 ZINC000072399105 556971499 /nfs/dbraw/zinc/97/14/99/556971499.db2.gz CLVONTLHCYZYFV-IERDGZPVSA-N 0 3 436.556 3.640 40 0 IHABHN CC(C)[N@H+]1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccc4c(c3)C[C@@H](C)O4)[n-]c2=O)C1 ZINC000072399105 556971501 /nfs/dbraw/zinc/97/15/01/556971501.db2.gz CLVONTLHCYZYFV-IERDGZPVSA-N 0 3 436.556 3.640 40 0 IHABHN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)cc1 ZINC000137894601 557153480 /nfs/dbraw/zinc/15/34/80/557153480.db2.gz ARZHICNHPZMVIN-RJGXRXQPSA-N 0 3 430.460 3.755 40 0 IHABHN [NH2+]=C(Nc1ccc2c(c1)OCCO2)Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000009938492 557194239 /nfs/dbraw/zinc/19/42/39/557194239.db2.gz YHPWPBVVXNGVFH-UHFFFAOYSA-N 0 3 443.916 3.946 40 0 IHABHN CNCC(=O)N1CC[C@@]2(CN(CC(C)C)C(=O)N2c2ccccc2)C[C@@H]1c1ccccc1 ZINC000585261623 557195195 /nfs/dbraw/zinc/19/51/95/557195195.db2.gz FHVCVOSQRXZGSE-BVAGGSTKSA-N 0 3 434.584 3.907 40 0 IHABHN CCCc1cnc(Nc2cc(C)nc(C3CCN(C(=O)[C@H]4CCCCN4)CC3)n2)s1 ZINC000585263505 557204077 /nfs/dbraw/zinc/20/40/77/557204077.db2.gz OXAXQMOOEQQICC-GOSISDBHSA-N 0 3 428.606 3.786 40 0 IHABHN CCc1nccn1CCOc1cccc(CN2CCC[C@](O)(COc3ccccc3)C2)c1 ZINC000585272026 557216748 /nfs/dbraw/zinc/21/67/48/557216748.db2.gz DYYBUVZNMMFOSN-AREMUKBSSA-N 0 3 435.568 3.930 40 0 IHABHN CCOc1ncc([C@@]2(O)CC[C@@H]3CN(Cc4cccc(OC(C)C)c4)C[C@@H]32)c(OCC)n1 ZINC000057773896 557263341 /nfs/dbraw/zinc/26/33/41/557263341.db2.gz GDZNPJKSHQYXBX-WPWBMXPQSA-N 0 3 441.572 3.791 40 0 IHABHN O=C(CN1CCCC1)Nc1ccc(-c2nc3cc(NC(=O)CN4CCCC4)ccc3o2)cc1 ZINC000004197494 557532402 /nfs/dbraw/zinc/53/24/02/557532402.db2.gz WDTMPUKELSWFII-UHFFFAOYSA-N 0 3 447.539 3.563 40 0 IHABHN CSc1ccc(S(=O)(=O)[N-]c2ccc(OC3CC[NH+](C)CC3)cc2)cc1NC(C)=O ZINC000224288318 557586049 /nfs/dbraw/zinc/58/60/49/557586049.db2.gz HYPQUINROZOMIG-UHFFFAOYSA-N 0 3 449.598 3.641 40 0 IHABHN CCN(c1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1)S(=O)(=O)CC ZINC000224848171 557658320 /nfs/dbraw/zinc/65/83/20/557658320.db2.gz WTHIKZLJTTVLOO-UHFFFAOYSA-N 0 3 443.613 3.779 40 0 IHABHN COCCNC(=O)c1cc(N)ccc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000225488065 557728856 /nfs/dbraw/zinc/72/88/56/557728856.db2.gz UKEWVFKKKKQIFJ-UHFFFAOYSA-N 0 3 444.579 3.557 40 0 IHABHN Cc1nnc(SCCNC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)[nH]1 ZINC000225906990 557790496 /nfs/dbraw/zinc/79/04/96/557790496.db2.gz RRQYAXITOVFULX-CQSZACIVSA-N 0 3 428.389 3.540 40 0 IHABHN CN(C)C(=O)[C@@]1(c2ccccn2)CCCN(Cc2cccc(OCc3cccnc3)c2)C1 ZINC000257207788 568668435 /nfs/dbraw/zinc/66/84/35/568668435.db2.gz BJGDEWDWTYKSLC-SANMLTNESA-N 0 3 430.552 3.678 40 0 IHABHN CN(C)C(=O)[C@]1(c2ccccn2)CCCN(Cc2cccc(OCc3cccnc3)c2)C1 ZINC000257207787 568668490 /nfs/dbraw/zinc/66/84/90/568668490.db2.gz BJGDEWDWTYKSLC-AREMUKBSSA-N 0 3 430.552 3.678 40 0 IHABHN CN(C)CCN(CCO)C(=O)CCc1ccc2c(c1)C[C@](C)(Cc1ccc(Cl)cc1)O2 ZINC000257218015 568673328 /nfs/dbraw/zinc/67/33/28/568673328.db2.gz DBNGMJCMKCQRIC-VWLOTQADSA-N 0 3 445.003 3.591 40 0 IHABHN COc1cccc(CN2CC[C@@H](c3cc4nc(C)c(CCC(=O)NC(C)C)c(C)n4n3)C2)c1 ZINC000257246298 568686786 /nfs/dbraw/zinc/68/67/86/568686786.db2.gz ITMMKNUNYVPAAG-OAQYLSRUSA-N 0 3 449.599 3.801 40 0 IHABHN Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@H](c2cc(Nc3ccc(C)cc3)cc(C)n2)C1 ZINC000257310554 568715699 /nfs/dbraw/zinc/71/56/99/568715699.db2.gz UFOVPZJXMYZYOZ-SFHVURJKSA-N 0 3 425.558 3.960 40 0 IHABHN Cc1cc(Nc2ccccn2)cc([C@@H]2CN(C(=O)CCc3n[nH]c4c3CCCC4)CCO2)n1 ZINC000257320024 568719932 /nfs/dbraw/zinc/71/99/32/568719932.db2.gz VVAMMQPGQFINHO-QHCPKHFHSA-N 0 3 446.555 3.663 40 0 IHABHN CN(C)CCNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(C(F)(F)F)n1 ZINC000329022107 568809495 /nfs/dbraw/zinc/80/94/95/568809495.db2.gz OKGUIROYOJLMDG-UHFFFAOYSA-N 0 3 427.780 3.729 40 0 IHABHN COCCC(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(OC)c(C)c2C)C1 ZINC000222016794 568906952 /nfs/dbraw/zinc/90/69/52/568906952.db2.gz VZBYVNVCVOECGM-SQJMNOBHSA-N 0 3 425.573 3.813 40 0 IHABHN O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccc2-n2cccn2)C1)[C@H]1CCCO1 ZINC000247520376 569205987 /nfs/dbraw/zinc/20/59/87/569205987.db2.gz XFLDUEHBXKIJLB-SDUSCBPUSA-N 0 3 445.567 3.516 40 0 IHABHN COc1cccc(CN2CC[C@H](c3c(CNC(C)=O)cnn3-c3ccc(C)cc3)C2)c1F ZINC000019708015 569234574 /nfs/dbraw/zinc/23/45/74/569234574.db2.gz BEVCUBYTSIWSDL-FQEVSTJZSA-N 0 3 436.531 3.954 40 0 IHABHN C[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857071 569249224 /nfs/dbraw/zinc/24/92/24/569249224.db2.gz ZCLAYDYXWMPHNT-LPHOPBHVSA-N 0 3 434.989 3.833 40 0 IHABHN CN(C)CCNc1nc(Nc2ccc(O)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329041234 569582837 /nfs/dbraw/zinc/58/28/37/569582837.db2.gz SGSKOCJIQYDZSK-UHFFFAOYSA-N 0 3 433.434 4.465 40 0 IHABHN COCCCNC(=O)[C@@H]1Cc2cn(Cc3cc(C)on3)c3cccc(c23)[C@H](CC(C)C)N1 ZINC000049171937 291368408 /nfs/dbraw/zinc/36/84/08/291368408.db2.gz ABLSVTRRMTYTGX-VXKWHMMOSA-N 0 3 438.572 3.740 40 0 biogenic,in-vitro IHABHN COc1ccccc1[C@H](c1nnnn1Cc1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000035291463 524802945 /nfs/dbraw/zinc/80/29/45/524802945.db2.gz ZFBHHJZTCVXAGC-RUZDIDTESA-N 0 3 446.599 3.770 40 0 IHABHN Cc1cccc(CN2CCC(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)CC2)c1 ZINC000039761383 556436399 /nfs/dbraw/zinc/43/63/99/556436399.db2.gz QALDTJSCAYDJRZ-JOCHJYFZSA-N 0 3 435.568 3.755 40 0 IHABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 ZINC000100934144 556612106 /nfs/dbraw/zinc/61/21/06/556612106.db2.gz RIWJAXKQAMZFDW-VJBWXMMDSA-N 0 3 430.460 3.842 40 0 IHABHN O=C(NCc1ccc(CN2CCOCC2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000038831303 556621815 /nfs/dbraw/zinc/62/18/15/556621815.db2.gz YFRXRABMFODVPD-UHFFFAOYSA-N 0 3 442.003 3.701 40 0 IHABHN CC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000019022375 556694225 /nfs/dbraw/zinc/69/42/25/556694225.db2.gz GNLMBSOASQKPCZ-NHCUHLMSSA-N 0 3 430.932 3.683 40 0 IHABHN CC(C)C(=O)N1CCC(c2nc([C@H]3CCC[N@H+](CC4CCCCC4)C3)cc(=O)[n-]2)CC1 ZINC000019085352 556699383 /nfs/dbraw/zinc/69/93/83/556699383.db2.gz KZKZPFDBUJQBII-NRFANRHFSA-N 0 3 428.621 3.892 40 0 IHABHN CC(C)C(=O)N1CCC(c2nc([C@H]3CCC[N@@H+](CC4CCCCC4)C3)cc(=O)[n-]2)CC1 ZINC000019085352 556699385 /nfs/dbraw/zinc/69/93/85/556699385.db2.gz KZKZPFDBUJQBII-NRFANRHFSA-N 0 3 428.621 3.892 40 0 IHABHN CN1CCN(C(=O)C2(c3ccccc3)CCOCC2)C[C@@H](Cc2cnc3ccccc3c2)C1 ZINC000257326386 556705176 /nfs/dbraw/zinc/70/51/76/556705176.db2.gz WXAOOEYNCWZTHU-QHCPKHFHSA-N 0 3 443.591 3.916 40 0 IHABHN Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(N4CCCC4=O)cc3)CC1)O2 ZINC000019219257 556713807 /nfs/dbraw/zinc/71/38/07/556713807.db2.gz MMWNFJZEJZJHQC-GOTSBHOMSA-N 0 3 436.552 3.506 40 0 IHABHN Cc1c2cc(C)ccc2oc1C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@@H+](C(C)C)C2 ZINC000019220394 556715111 /nfs/dbraw/zinc/71/51/11/556715111.db2.gz OUWWXDZVPLXEGN-HXUWFJFHSA-N 0 3 434.540 3.877 40 0 IHABHN Cc1c2cc(C)ccc2oc1C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@H+](C(C)C)C2 ZINC000019220394 556715112 /nfs/dbraw/zinc/71/51/12/556715112.db2.gz OUWWXDZVPLXEGN-HXUWFJFHSA-N 0 3 434.540 3.877 40 0 IHABHN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000013749414 556725562 /nfs/dbraw/zinc/72/55/62/556725562.db2.gz VARQVJBNNLKMKN-VJBWXMMDSA-N 0 3 448.450 3.894 40 0 IHABHN O=C(CN1CCC(O)(CN2CCCC[C@@H]2c2cccnc2)CC1)c1ccc2c(c1)CCC2 ZINC000019338378 556739050 /nfs/dbraw/zinc/73/90/50/556739050.db2.gz BASPTFNXDNLBNY-RUZDIDTESA-N 0 3 433.596 3.807 40 0 IHABHN O=C(c1cccs1)N1CCc2nc([C@H]3CCC[N@H+](CC4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000019342778 556740626 /nfs/dbraw/zinc/74/06/26/556740626.db2.gz LCXMUTOTOIQKOV-SFHVURJKSA-N 0 3 440.613 3.790 40 0 IHABHN O=C(c1cccs1)N1CCc2nc([C@H]3CCC[N@@H+](CC4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000019342778 556740629 /nfs/dbraw/zinc/74/06/29/556740629.db2.gz LCXMUTOTOIQKOV-SFHVURJKSA-N 0 3 440.613 3.790 40 0 IHABHN CC(C)NC(=O)[C@@H]1CN(Cc2ccc(C(C)C)cc2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019453308 556763871 /nfs/dbraw/zinc/76/38/71/556763871.db2.gz BREYOHBDXJUWFG-DHIUTWEWSA-N 0 3 435.616 3.940 40 0 IHABHN COCC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cc3c(cc2OC)CCCC3)C1 ZINC000019592987 556829129 /nfs/dbraw/zinc/82/91/29/556829129.db2.gz UBYJPRQFSOUNTN-RLWLMLJZSA-N 0 3 437.584 3.685 40 0 IHABHN CN(C)c1ncc(-c2cccc(C(N)=O)c2)c(C2CCN(Cc3ccc(F)cc3)CC2)n1 ZINC000019694161 556849416 /nfs/dbraw/zinc/84/94/16/556849416.db2.gz ULUABUFHSNJVTB-UHFFFAOYSA-N 0 3 433.531 3.827 40 0 IHABHN CC(=O)N(C)Cc1cc(N(C)C)nc(C2CCN(Cc3ccc(OC(C)C)cc3)CC2)n1 ZINC000019752055 556895941 /nfs/dbraw/zinc/89/59/41/556895941.db2.gz KCYNFLQICNFUDJ-UHFFFAOYSA-N 0 3 439.604 3.688 40 0 IHABHN CNC(=O)c1cc([C@@H]2CCN(CC3=Cc4cc(OC)ccc4OC3)C2)nc2ccccc21 ZINC000019761179 556904443 /nfs/dbraw/zinc/90/44/43/556904443.db2.gz GAQSSGFNKIVUAV-GOSISDBHSA-N 0 3 429.520 3.868 40 0 IHABHN CC(C)(C)c1n[nH]cc1CN1CC[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 ZINC000019761943 556905925 /nfs/dbraw/zinc/90/59/25/556905925.db2.gz YMUWBCHEVVTFEW-SFHVURJKSA-N 0 3 447.583 3.717 40 0 IHABHN COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2cccnc2N(C)C)C1 ZINC000072352308 556923964 /nfs/dbraw/zinc/92/39/64/556923964.db2.gz AXUQSGFJFQWRLM-KRWDZBQOSA-N 0 3 438.597 3.728 40 0 IHABHN COc1cc2c(cc1CN1CCC[C@@H](c3cc(-c4cnn(C)c4)cc(C)n3)C1)OCCO2 ZINC000072353762 556927982 /nfs/dbraw/zinc/92/79/82/556927982.db2.gz RXBGUWNBGKHJDY-GOSISDBHSA-N 0 3 434.540 3.950 40 0 IHABHN CCN1CCN(C2CCN(c3ncc(-c4cccs4)c(-c4nccs4)n3)CC2)CC1 ZINC000072396544 556969476 /nfs/dbraw/zinc/96/94/76/556969476.db2.gz AMGQIXHPMWCNDB-UHFFFAOYSA-N 0 3 440.642 3.935 40 0 IHABHN Cc1ccc(-c2ccc3c(c2)C2(CN3C(=O)CCN3CCN(C)CC3)CCOCC2)cc1 ZINC000585105826 557039023 /nfs/dbraw/zinc/03/90/23/557039023.db2.gz QVMXNFZXKWLNCP-UHFFFAOYSA-N 0 3 433.596 3.694 40 0 IHABHN CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCCc3ccccc3)cc2c1 ZINC000006197722 557149285 /nfs/dbraw/zinc/14/92/85/557149285.db2.gz OXMRLGUCSXTVOI-UHFFFAOYSA-N 0 3 436.625 3.571 40 0 IHABHN CN1CCN(c2ccc(NC(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)cc2)CC1 ZINC000096627168 557203628 /nfs/dbraw/zinc/20/36/28/557203628.db2.gz FGPGKODDQSKTEO-HXUWFJFHSA-N 0 3 426.992 3.943 40 0 IHABHN CCc1nccn1CCOc1ccc(CN2C[C@H](O)[C@@H](Oc3ccc(C)c(C)c3)C2)cc1 ZINC000585268846 557210368 /nfs/dbraw/zinc/21/03/68/557210368.db2.gz XOKPRMKOMRVQGD-DQEYMECFSA-N 0 3 435.568 3.765 40 0 IHABHN OC1(COc2ccccc2F)CCN(Cc2cccc(OCCn3ccnc3)c2)CC1 ZINC000585272044 557216805 /nfs/dbraw/zinc/21/68/05/557216805.db2.gz KYLDVVYKHSGBDM-UHFFFAOYSA-N 0 3 425.504 3.507 40 0 IHABHN COc1cccc(-c2noc(CN(C)C(=O)C3CCN(Cc4ccc(F)cc4)CC3)n2)c1 ZINC000219426223 557244902 /nfs/dbraw/zinc/24/49/02/557244902.db2.gz QLWXFRZYFVPROY-UHFFFAOYSA-N 0 3 438.503 3.755 40 0 IHABHN COc1cccc(-c2noc(CNC(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)n2)c1 ZINC000222595865 557358234 /nfs/dbraw/zinc/35/82/34/557358234.db2.gz MXWWWXSDJQHWHU-SFHVURJKSA-N 0 3 440.931 3.927 40 0 IHABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OCC(C)C)cc3)cc2)CC1 ZINC000014271838 557431021 /nfs/dbraw/zinc/43/10/21/557431021.db2.gz GIMCSHISWZDJSI-UHFFFAOYSA-N 0 3 440.613 3.990 40 0 IHABHN COc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019553483 557500650 /nfs/dbraw/zinc/50/06/50/557500650.db2.gz GBEICOCUEFDHJG-RUZDIDTESA-N 0 3 446.599 3.574 40 0 IHABHN O=S(=O)(NCCNC/C=C\c1ccc(Br)cc1)c1cccc2cnccc21 ZINC000013704054 563001191 /nfs/dbraw/zinc/00/11/91/563001191.db2.gz ZKZXNDJNWUTGDK-IHWYPQMZSA-N 0 3 446.370 3.579 40 0 in-vitro IHABHN CCc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2ccc(OCCN(C)C)cc2)n1 ZINC000257199583 568664823 /nfs/dbraw/zinc/66/48/23/568664823.db2.gz AAAHWCWPZPSPIW-JOCHJYFZSA-N 0 3 433.556 3.747 40 0 IHABHN Cc1cccc(CN2CC[C@H](c3nc(C)c(CC(=O)NCc4ccc(F)cc4)c(C)n3)C2)n1 ZINC000257211037 568670131 /nfs/dbraw/zinc/67/01/31/568670131.db2.gz BXHHTKRJXPTJEL-NRFANRHFSA-N 0 3 447.558 3.784 40 0 IHABHN COc1ccc(OCCN2CC[C@H](c3c4cccnc4sc3C(=O)N(C)C)C2)cc1 ZINC000257216706 568672779 /nfs/dbraw/zinc/67/27/79/568672779.db2.gz CVTNPPCLLAKIHX-INIZCTEOSA-N 0 3 425.554 3.875 40 0 IHABHN c1cc2c(C[C@@H]3COCCN(Cc4ccccc4OCc4cccnc4)C3)cccn2n1 ZINC000257227382 568677575 /nfs/dbraw/zinc/67/75/75/568677575.db2.gz FPABGPADEGOBQI-QFIPXVFZSA-N 0 3 428.536 3.999 40 0 IHABHN Cc1ccc(Nc2cc(C)nc([C@@H]3CCCN(S(=O)(=O)c4cn(C)cn4)C3)c2)cc1 ZINC000257292860 568708089 /nfs/dbraw/zinc/70/80/89/568708089.db2.gz QNFZIZGCZBIPMX-GOSISDBHSA-N 0 3 425.558 3.744 40 0 IHABHN O=c1[nH]c(C2CCN(Cc3ccccc3F)CC2)nc2c1nnn2Cc1cccc(F)c1 ZINC000257301239 568711989 /nfs/dbraw/zinc/71/19/89/568711989.db2.gz RXOVJXCTAHEKRU-UHFFFAOYSA-N 0 3 436.466 3.633 40 0 IHABHN CN(C)C(=O)[C@@]1(c2ccccn2)CCCN(Cc2cccc(OCc3ccccn3)c2)C1 ZINC000257303338 568712735 /nfs/dbraw/zinc/71/27/35/568712735.db2.gz SGUGLJSJKYMSSM-SANMLTNESA-N 0 3 430.552 3.678 40 0 IHABHN Cc1nc2cc([C@H]3CCN(Cc4ccccn4)C3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257327054 568722948 /nfs/dbraw/zinc/72/29/48/568722948.db2.gz WZSDXGLUIQKFQZ-IBGZPJMESA-N 0 3 434.588 3.578 40 0 IHABHN O=C(C1CCN(Cc2ccc(F)cc2)CC1)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)O2 ZINC000257337041 568727367 /nfs/dbraw/zinc/72/73/67/568727367.db2.gz YRCYUVINNDHKSK-RUZDIDTESA-N 0 3 437.515 3.666 40 0 IHABHN COc1ccc(Nc2cc(C)nc([C@@H]3CCN(S(=O)(=O)c4c(C)noc4C)C3)c2)cc1 ZINC000257344574 568730628 /nfs/dbraw/zinc/73/06/28/568730628.db2.gz ZXWHDCYJWCRJDS-QGZVFWFLSA-N 0 3 442.541 3.925 40 0 IHABHN COc1cccc(-c2nnc3n(c2=O)CCC32CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000306125916 568763976 /nfs/dbraw/zinc/76/39/76/568763976.db2.gz DFQGLSLURJTSLJ-UHFFFAOYSA-N 0 3 436.943 3.905 40 0 IHABHN Cc1ccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccsc2)C3=O)s1 ZINC000306127615 568764713 /nfs/dbraw/zinc/76/47/13/568764713.db2.gz GDOQMCWZXNDYTF-GGAORHGYSA-N 0 3 439.606 3.910 40 0 IHABHN O=C1N(Cc2ccsc2)CCO[C@]12CN(Cc1ccsc1)C[C@H]2c1cccnc1 ZINC000306128470 568765121 /nfs/dbraw/zinc/76/51/21/568765121.db2.gz HAZXZJMYRAXVRQ-UNMCSNQZSA-N 0 3 425.579 3.602 40 0 IHABHN Cn1cccc1C(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 ZINC000306129501 568765619 /nfs/dbraw/zinc/76/56/19/568765619.db2.gz IFEIJVLXHZYFNV-UHFFFAOYSA-N 0 3 445.567 3.508 40 0 IHABHN COC(=O)N1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(Cc3cccc(C)c3)CC2)C1 ZINC000306143014 568772843 /nfs/dbraw/zinc/77/28/43/568772843.db2.gz XQZBIQJOPMUHDS-UHFFFAOYSA-N 0 3 449.530 3.966 40 0 IHABHN COc1ccc(Nc2cc(-c3ccccc3)nc(NCCN(C)C)n2)cc1C(F)(F)F ZINC000329018878 568809519 /nfs/dbraw/zinc/80/95/19/568809519.db2.gz NTGLNJMOJVQMIE-UHFFFAOYSA-N 0 3 431.462 3.732 40 0 IHABHN CN(C)CCNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(C(F)(F)F)n1 ZINC000329044298 568810356 /nfs/dbraw/zinc/81/03/56/568810356.db2.gz SWJOGGMKLPADSO-UHFFFAOYSA-N 0 3 425.402 3.668 40 0 IHABHN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCN5CCC[C@H]5C4)c3N2)cc1 ZINC000248070478 569206898 /nfs/dbraw/zinc/20/68/98/569206898.db2.gz GQFMRZHRGJJHOH-WDSOQIARSA-N 0 3 433.478 3.772 40 0 IHABHN CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000009062842 569219647 /nfs/dbraw/zinc/21/96/47/569219647.db2.gz FODHDOFVGBQUHI-UHFFFAOYSA-N 0 3 429.586 3.568 40 0 IHABHN CCn1ncc(CN2CCC[C@H]([C@@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)c1C ZINC000019523937 569226864 /nfs/dbraw/zinc/22/68/64/569226864.db2.gz ZMWMGFAFRVEDCI-NBGIEHNGSA-N 0 3 447.583 3.998 40 0 IHABHN CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCN(Cc3ccccc3Cl)C2)n1 ZINC000019694748 569229311 /nfs/dbraw/zinc/22/93/11/569229311.db2.gz HFTBJMTZLOWLOG-IBGZPJMESA-N 0 3 435.959 3.951 40 0 IHABHN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)cc1 ZINC000018152249 569285044 /nfs/dbraw/zinc/28/50/44/569285044.db2.gz ARZHICNHPZMVIN-VABKMULXSA-N 0 3 430.460 3.755 40 0 IHABHN CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218648198 569459019 /nfs/dbraw/zinc/45/90/19/569459019.db2.gz PTUHUWYTHYZGFD-DPLHUUCSSA-N 0 3 444.597 3.719 40 0 IHABHN COc1cc(CN2CCC(c3nc(-c4ccccn4)cc(=O)[nH]3)CC2)cc(OC)c1OC ZINC000012327761 522369453 /nfs/dbraw/zinc/36/94/53/522369453.db2.gz GRUIVISJJUMWHU-UHFFFAOYSA-N 0 3 436.512 3.650 40 0 IHABHN O=C(C1CC1)N1CCc2cc([C@@H](O)CN3CCC[C@](O)(c4ccc(F)cc4)CC3)ccc21 ZINC000036719286 526287486 /nfs/dbraw/zinc/28/74/86/526287486.db2.gz IWAYUNFKXVQRMW-AZGAKELHSA-N 0 3 438.543 3.532 40 0 IHABHN CCN1CCC[C@@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccccc1 ZINC000001342312 555691127 /nfs/dbraw/zinc/69/11/27/555691127.db2.gz XOXXUBSUXBBLRM-HXUWFJFHSA-N 0 3 448.523 3.775 40 0 IHABHN COC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3ccc4ccccc4c3)CC2)C1=O ZINC000003995418 555952542 /nfs/dbraw/zinc/95/25/42/555952542.db2.gz DSEIKQVUTKGLGT-UHFFFAOYSA-N 0 3 443.547 3.654 40 0 in-vitro IHABHN COc1cc(CN2[C@@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)cc(OC)c1OC ZINC000012088939 556401762 /nfs/dbraw/zinc/40/17/62/556401762.db2.gz BJZCRSFQUBCGSN-WPUZRXDDSA-N 0 3 437.540 3.620 40 0 IHABHN O=C(NCc1cccc(CN2CCOCC2)c1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000038831309 556621821 /nfs/dbraw/zinc/62/18/21/556621821.db2.gz KYBSLPVWQKVAMW-UHFFFAOYSA-N 0 3 442.003 3.701 40 0 IHABHN COCCCN1C(=O)C(CC(=O)Nc2ccc(C)cc2Cl)n2c3ccccc3nc21 ZINC000039963991 556630731 /nfs/dbraw/zinc/63/07/31/556630731.db2.gz PAXBOCJUAODFKA-IBGZPJMESA-N 0 3 426.904 3.951 40 0 IHABHN COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c1 ZINC000101081719 556653991 /nfs/dbraw/zinc/65/39/91/556653991.db2.gz VQCOQBCTHBUVPH-VABKMULXSA-N 0 3 448.450 3.894 40 0 IHABHN CC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000019022378 556694186 /nfs/dbraw/zinc/69/41/86/556694186.db2.gz GNLMBSOASQKPCZ-SFTDATJTSA-N 0 3 430.932 3.683 40 0 IHABHN CC(C)(C)C(=O)N1CCC[C@H](c2cc(=O)[n-]c(C3CC[NH+](Cc4ccsc4)CC3)n2)C1 ZINC000019081221 556696114 /nfs/dbraw/zinc/69/61/14/556696114.db2.gz BWSMLZPONQKOOP-IBGZPJMESA-N 0 3 442.629 3.963 40 0 IHABHN CN1CCN(C(=O)C2(c3ccccc3)CCOCC2)C[C@H](Cc2cnc3ccccc3c2)C1 ZINC000257326385 556705206 /nfs/dbraw/zinc/70/52/06/556705206.db2.gz WXAOOEYNCWZTHU-HSZRJFAPSA-N 0 3 443.591 3.916 40 0 IHABHN Cc1ccc(CN2C[C@@H](C(=O)NC(C)C)[C@H](c3ccnc(N4CCCCC4)n3)C2)s1 ZINC000019217263 556712456 /nfs/dbraw/zinc/71/24/56/556712456.db2.gz MRHJMOGDBZKEML-WOJBJXKFSA-N 0 3 427.618 3.577 40 0 IHABHN COc1ccc(CN2CCC[C@@H](c3nn(C)cc3-c3ccnc(N4CCCC4)n3)C2)cc1 ZINC000019290170 556730145 /nfs/dbraw/zinc/73/01/45/556730145.db2.gz FNGKDQBIPMNSKU-HXUWFJFHSA-N 0 3 432.572 3.866 40 0 IHABHN O=C(Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1)C1CC1 ZINC000019332385 556737615 /nfs/dbraw/zinc/73/76/15/556737615.db2.gz NIEKFWQFORBKII-VXKWHMMOSA-N 0 3 440.515 3.558 40 0 IHABHN CC1CCC([N@@H+]2CC[C@H](c3nc4c(c(=O)[n-]3)CCN(C(=O)c3ccccc3F)C4)C2)CC1 ZINC000019495947 556768416 /nfs/dbraw/zinc/76/84/16/556768416.db2.gz AIKUDKXELYJWED-ADKAHSJRSA-N 0 3 438.547 3.888 40 0 IHABHN CC1CCC([N@H+]2CC[C@H](c3nc4c(c(=O)[n-]3)CCN(C(=O)c3ccccc3F)C4)C2)CC1 ZINC000019495947 556768420 /nfs/dbraw/zinc/76/84/20/556768420.db2.gz AIKUDKXELYJWED-ADKAHSJRSA-N 0 3 438.547 3.888 40 0 IHABHN COc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)cc1OC ZINC000019560968 556802330 /nfs/dbraw/zinc/80/23/30/556802330.db2.gz LNGMDRYALJOGAE-LJQANCHMSA-N 0 3 448.571 3.864 40 0 IHABHN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3c[nH]c4ccc(F)cc43)CC1)O2 ZINC000019562162 556803598 /nfs/dbraw/zinc/80/35/98/556803598.db2.gz SXCSUEQAIXKWFT-FGZHOGPDSA-N 0 3 426.488 3.700 40 0 IHABHN COc1cccc(OC)c1CN1CC[C@](Cc2cccc(-c3ccncc3)c2)(C(N)=O)C1 ZINC000019566995 556807326 /nfs/dbraw/zinc/80/73/26/556807326.db2.gz OZIPRKJAOVBWDP-AREMUKBSSA-N 0 3 431.536 3.686 40 0 IHABHN CN(C)Cc1ccc(C(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)cc1 ZINC000019583535 556821040 /nfs/dbraw/zinc/82/10/40/556821040.db2.gz VZOAWVIEONUCPU-UHFFFAOYSA-N 0 3 432.553 3.560 40 0 IHABHN C[NH+]1CCC(c2nc([C@@H]3CCCN(C(=O)c4csc5c4CCCC5)C3)cc(=O)[n-]2)CC1 ZINC000019588224 556824110 /nfs/dbraw/zinc/82/41/10/556824110.db2.gz DCFLIJCRVQOHIW-QGZVFWFLSA-N 0 3 440.613 3.952 40 0 IHABHN CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN(Cc3ccccc3F)C2)n1 ZINC000019694679 556850772 /nfs/dbraw/zinc/85/07/72/556850772.db2.gz ZAWDKBXCKRENPY-HXUWFJFHSA-N 0 3 433.531 3.827 40 0 IHABHN Cc1nc(C2CCN(CC3=CCCOC3)CC2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019739347 556877466 /nfs/dbraw/zinc/87/74/66/556877466.db2.gz HHYCIXJLLWSTRY-UHFFFAOYSA-N 0 3 432.568 3.791 40 0 IHABHN COc1ccc2c(c1)c(CN1CCC[C@@H](c3nc(C)c4c(n3)N(C)C(=O)CC4)C1)c(C)n2C ZINC000019741480 556883665 /nfs/dbraw/zinc/88/36/65/556883665.db2.gz AGQRGBQLHYIHHU-GOSISDBHSA-N 0 3 447.583 3.882 40 0 IHABHN COc1ccc2c(c1)c(CN1CCC[C@H](c3nc(C)c4c(n3)N(C)C(=O)CC4)C1)c(C)n2C ZINC000019741482 556883902 /nfs/dbraw/zinc/88/39/02/556883902.db2.gz AGQRGBQLHYIHHU-SFHVURJKSA-N 0 3 447.583 3.882 40 0 IHABHN Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@H]4CCCN(C5CCOCC5)C4)nc32)c1 ZINC000019741580 556884121 /nfs/dbraw/zinc/88/41/21/556884121.db2.gz JKSASOMXEALUGA-QFIPXVFZSA-N 0 3 448.611 3.974 40 0 IHABHN O=C(CC1C(=O)N(CCCn2ccnc2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 ZINC000019819471 556922770 /nfs/dbraw/zinc/92/27/70/556922770.db2.gz AACXJWYHOBGLRE-FQEVSTJZSA-N 0 3 448.914 3.893 40 0 IHABHN Cc1ccnc(Nc2cc([C@H]3CCCN(C(=O)[C@@H](N)Cc4ccc(F)cc4)C3)nc(C)n2)c1 ZINC000072355960 556930447 /nfs/dbraw/zinc/93/04/47/556930447.db2.gz WCOYFRJEUBASSA-FPOVZHCZSA-N 0 3 448.546 3.647 40 0 IHABHN CN1CCC(Nc2n[nH]c3nc([C@H]4CCCN4C(=O)Cc4ccc(F)cc4)ccc23)CC1 ZINC000072374524 556948190 /nfs/dbraw/zinc/94/81/90/556948190.db2.gz GDADMPQISJLPDM-OAQYLSRUSA-N 0 3 436.535 3.509 40 0 IHABHN CC(=O)Oc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000006142238 556959050 /nfs/dbraw/zinc/95/90/50/556959050.db2.gz UVAZWQPBCIEZCG-ZRBLBEILSA-N 0 3 446.434 3.802 40 0 IHABHN COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccc(-c5ccc(F)cc5)o4)C[C@H]32)c(OC)n1 ZINC000072392603 556963722 /nfs/dbraw/zinc/96/37/22/556963722.db2.gz GESTYXPAPZEGHE-LZBHBKQYSA-N 0 3 439.487 3.623 40 0 IHABHN COc1ncc([C@]2(O)CC[C@H]3CN(Cc4cccc(OC5CCCC5)c4)C[C@H]32)c(OC)n1 ZINC000072392630 556964038 /nfs/dbraw/zinc/96/40/38/556964038.db2.gz OALFEPWWQCBAPU-QRJOEMBSSA-N 0 3 439.556 3.545 40 0 IHABHN COc1cccc(-c2ccc3ccc(-n4nccc4C(=O)N4CC[C@@H](N(C)C)C4)n3c2)c1 ZINC000096155289 557179856 /nfs/dbraw/zinc/17/98/56/557179856.db2.gz XPMZVBAQCCYBGD-OAQYLSRUSA-N 0 3 429.524 3.577 40 0 IHABHN CC1(C(=O)N2CC[C@]3(CN(Cc4ccccc4)C(=O)O3)C2)CCN(Cc2ccccc2)CC1 ZINC000585261983 557198093 /nfs/dbraw/zinc/19/80/93/557198093.db2.gz FGOAEQFNQBRJDI-HHHXNRCGSA-N 0 3 447.579 3.912 40 0 IHABHN COCCOc1cc(CN2CCC[C@](O)(COc3ccc(C)cc3)CC2)ccc1OC ZINC000585270172 557214197 /nfs/dbraw/zinc/21/41/97/557214197.db2.gz HOGNUKYWOCMVJA-RUZDIDTESA-N 0 3 429.557 3.825 40 0 IHABHN O[C@H]1CCN(C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C[C@]1(O)COc1cccc(Cl)c1 ZINC000585284921 557224415 /nfs/dbraw/zinc/22/44/15/557224415.db2.gz AWMSDFXYXIYTPJ-OXCBMLQPSA-N 0 3 445.987 3.605 40 0 IHABHN Cc1cc(OC[C@@]2(O)COCCN(C[C@@]3(O)CC[C@H](c4ccccc4)CC3)C2)ccc1F ZINC000585286779 557225659 /nfs/dbraw/zinc/22/56/59/557225659.db2.gz IRNKLBIQZWCNDU-DFCKQENNSA-N 0 3 443.559 3.665 40 0 IHABHN NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCCN2CCOc2ccc(F)cc2)cc1 ZINC000072377106 557389034 /nfs/dbraw/zinc/38/90/34/557389034.db2.gz CGJZKAMZDZVNJQ-OAQYLSRUSA-N 0 3 435.503 3.570 40 0 IHABHN CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 ZINC000223280131 557455298 /nfs/dbraw/zinc/45/52/98/557455298.db2.gz RLPIIBPRDLKKFZ-GOTSBHOMSA-N 0 3 435.597 3.805 40 0 IHABHN CCS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3ccccc3C)CC2)o1 ZINC000257202844 568666417 /nfs/dbraw/zinc/66/64/17/568666417.db2.gz ANQZFJYCKPDKBU-HXUWFJFHSA-N 0 3 432.590 3.634 40 0 IHABHN O=C(COc1ccc(CN2CCCC2)cc1)N1CCC[C@H]1c1cccc(-n2ccnc2)n1 ZINC000257213313 568671440 /nfs/dbraw/zinc/67/14/40/568671440.db2.gz CHAPMGALXKBUIE-QHCPKHFHSA-N 0 3 431.540 3.606 40 0 IHABHN Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@@H](c2cc(Nc3cccc(F)c3)cc(C)n2)C1 ZINC000257242609 568684985 /nfs/dbraw/zinc/68/49/85/568684985.db2.gz IDHXOHLXYDOTRE-MRXNPFEDSA-N 0 3 429.521 3.791 40 0 IHABHN Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 ZINC000257300755 568711585 /nfs/dbraw/zinc/71/15/85/568711585.db2.gz RVOWFYPKVBCULH-INIZCTEOSA-N 0 3 429.521 3.575 40 0 IHABHN CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)CN1CCCCCC1 ZINC000257310269 568715710 /nfs/dbraw/zinc/71/57/10/568715710.db2.gz UEKXVWINVXQXIV-AMVJKZIMSA-N 0 3 437.628 3.864 40 0 IHABHN Cc1cccc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccccc2)C3=O)c1 ZINC000306128264 568765128 /nfs/dbraw/zinc/76/51/28/568765128.db2.gz GVRFGIBNRRLICG-AHKZPQOWSA-N 0 3 427.548 3.787 40 0 IHABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3ccc(Cl)cc3)C[C@H]1C2 ZINC000306129496 568765726 /nfs/dbraw/zinc/76/57/26/568765726.db2.gz IFAKMTXMZBOARO-CVEARBPZSA-N 0 3 425.895 3.627 40 0 IHABHN COc1ccc(CN2CCC3(CCn4ccnc4[C@@H]3NC(=O)c3cscn3)CC2)cc1 ZINC000306133310 568767775 /nfs/dbraw/zinc/76/77/75/568767775.db2.gz MHZMRUUIVHQQPC-FQEVSTJZSA-N 0 3 437.569 3.505 40 0 IHABHN COc1ccc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccsc2)C3=O)cc1 ZINC000306134049 568768273 /nfs/dbraw/zinc/76/82/73/568768273.db2.gz NCOCXCUXDLXISR-ILBGXUMGSA-N 0 3 449.576 3.549 40 0 IHABHN Cc1cccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccsc2)C3=O)c1 ZINC000306137105 568769990 /nfs/dbraw/zinc/76/99/90/568769990.db2.gz QLOMMCQCVOCDBE-NOZRDPDXSA-N 0 3 433.577 3.849 40 0 IHABHN O=C(Cc1ccco1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 ZINC000306139734 568771351 /nfs/dbraw/zinc/77/13/51/568771351.db2.gz TYVOOYGDIWNQRL-UHFFFAOYSA-N 0 3 446.551 3.692 40 0 IHABHN O=C1N(Cc2ccccc2)CCO[C@]12CN(Cc1cccc(F)c1)C[C@H]2c1cccnc1 ZINC000306143522 568773043 /nfs/dbraw/zinc/77/30/43/568773043.db2.gz YEPMFWPJJIPTDD-AHWVRZQESA-N 0 3 431.511 3.618 40 0 IHABHN CN(C)CCNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccncc2)n1 ZINC000329003905 568809022 /nfs/dbraw/zinc/80/90/22/568809022.db2.gz KPGWWCHPIKCENG-UHFFFAOYSA-N 0 3 436.869 3.772 40 0 IHABHN CCOc1ccccc1N1CCN(C(=O)C2CCN(Cc3ccc(OC)cc3)CC2)CC1 ZINC000006566034 568904682 /nfs/dbraw/zinc/90/46/82/568904682.db2.gz GFAAJROEXOAVHH-UHFFFAOYSA-N 0 3 437.584 3.655 40 0 IHABHN O=C(c1cccs1)N1CCc2nc([C@@H]3CCC[N@H+](C[C@@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000247958418 569206660 /nfs/dbraw/zinc/20/66/60/569206660.db2.gz WKAOEZGAOOTWFQ-QZTJIDSGSA-N 0 3 438.597 3.978 40 0 IHABHN O=C(c1cccs1)N1CCc2nc([C@@H]3CCC[N@@H+](C[C@@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000247958418 569206661 /nfs/dbraw/zinc/20/66/61/569206661.db2.gz WKAOEZGAOOTWFQ-QZTJIDSGSA-N 0 3 438.597 3.978 40 0 IHABHN O=C(C1CC1)N1CCc2cc([C@H](O)CN3CCC[C@@](O)(c4ccc(F)cc4)CC3)ccc21 ZINC000019332950 569226258 /nfs/dbraw/zinc/22/62/58/569226258.db2.gz IWAYUNFKXVQRMW-RSXGOPAZSA-N 0 3 438.543 3.532 40 0 IHABHN COc1ccc(CN2CC[C@@H](c3c4cccnc4sc3C(N)=O)C2)cc1Cn1cccn1 ZINC000019702230 569231823 /nfs/dbraw/zinc/23/18/23/569231823.db2.gz QKEKEPHNPSVQIM-QGZVFWFLSA-N 0 3 447.564 3.638 40 0 IHABHN COc1cc(C)ccc1CN1CC[C@@H](c2c3cccnc3sc2C(=O)N(C)CCO)C1 ZINC000019702561 569232302 /nfs/dbraw/zinc/23/23/02/569232302.db2.gz OLCWTNVTYMHAKB-GOSISDBHSA-N 0 3 439.581 3.667 40 0 IHABHN CNc1cc(C2CCN(Cc3c(C)cc(OC)c(C)c3C)CC2)nc(CN(C)C(C)=O)n1 ZINC000019710085 569234919 /nfs/dbraw/zinc/23/49/19/569234919.db2.gz MUENJXTWSSIULQ-UHFFFAOYSA-N 0 3 439.604 3.810 40 0 IHABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218633854 569458941 /nfs/dbraw/zinc/45/89/41/569458941.db2.gz OFWVXHUKENCCBU-LVCYWYKZSA-N 0 3 436.961 3.502 40 0 IHABHN CC(C)C[C@@H]1N[C@H](C(=O)N2CCOCC2)Cc2cn(Cc3ccncc3)c3cccc1c23 ZINC000049171642 291365289 /nfs/dbraw/zinc/36/52/89/291365289.db2.gz FHBSSHUELHYLCJ-GOTSBHOMSA-N 0 3 432.568 3.545 40 0 biogenic,in-vitro IHABHN CN1CCN(c2ccc(-c3noc([C@@H]4CCCN4Cc4c[nH]c5ccccc45)n3)cn2)CC1 ZINC000049155124 291368310 /nfs/dbraw/zinc/36/83/10/291368310.db2.gz ODOFHPSSCSXOKD-QFIPXVFZSA-N 0 3 443.555 3.702 40 0 biogenic,in-vitro IHABHN Cc1ccc2cc(CN(CCN3CCCC3)C(=O)NCc3ccccc3)c(=O)[nH]c2c1C ZINC000012704550 526229518 /nfs/dbraw/zinc/22/95/18/526229518.db2.gz VJHSJTJRABTSDY-UHFFFAOYSA-N 0 3 432.568 3.953 40 0 IHABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3cccc(OCC(C)C)c3)cc2)CC1 ZINC000032125243 556534578 /nfs/dbraw/zinc/53/45/78/556534578.db2.gz JIARQFRHPZKCJB-UHFFFAOYSA-N 0 3 440.613 3.990 40 0 IHABHN O=C(NCc1cccc(CN2CCOCC2)c1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038830767 556621760 /nfs/dbraw/zinc/62/17/60/556621760.db2.gz KNSLKCBBEQHCJD-HSZRJFAPSA-N 0 3 442.003 3.701 40 0 IHABHN Cc1c(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c(=O)n(-c2ccccc2)n1C ZINC000038850133 556624471 /nfs/dbraw/zinc/62/44/71/556624471.db2.gz LWAXTEGMRDHXLD-IBGZPJMESA-N 0 3 438.959 3.989 40 0 IHABHN CC(=O)Nc1ccc(CN2CCC(c3cc(N(C)C)nc(-c4ccncc4)n3)CC2)cc1 ZINC000019022443 556694262 /nfs/dbraw/zinc/69/42/62/556694262.db2.gz ZGFHYYGLBCBQAK-UHFFFAOYSA-N 0 3 430.556 3.943 40 0 IHABHN Cc1ccc(CN2CCC[C@@H]2c2c(-c3ccnc(N4CCCC4)n3)cnn2CCO)cc1C ZINC000019213973 556711085 /nfs/dbraw/zinc/71/10/85/556711085.db2.gz TYVZSVMCQIQEAD-XMMPIXPASA-N 0 3 446.599 3.887 40 0 IHABHN Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)OCCCO4)CC1)O2 ZINC000019219287 556713698 /nfs/dbraw/zinc/71/36/98/556713698.db2.gz CDRIOIPMAHWFRW-NHCUHLMSSA-N 0 3 425.525 3.540 40 0 IHABHN COc1ccccc1NC(=S)N(CCN(C)C)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000000880626 556732297 /nfs/dbraw/zinc/73/22/97/556732297.db2.gz KUEJYUNBDNTATJ-UHFFFAOYSA-N 0 3 438.597 3.914 40 0 IHABHN O=C(Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1)C1CC1 ZINC000019332381 556737641 /nfs/dbraw/zinc/73/76/41/556737641.db2.gz NIEKFWQFORBKII-FGZHOGPDSA-N 0 3 440.515 3.558 40 0 IHABHN O=C(CN1CCC(O)(CN2CCCC[C@H]2c2cccnc2)CC1)c1ccc2c(c1)CCC2 ZINC000019338381 556739276 /nfs/dbraw/zinc/73/92/76/556739276.db2.gz BASPTFNXDNLBNY-VWLOTQADSA-N 0 3 433.596 3.807 40 0 IHABHN O=C(NCc1ccncc1)c1cc([C@@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1 ZINC000019347031 556742836 /nfs/dbraw/zinc/74/28/36/556742836.db2.gz NNYPNCUSZZBVMX-OAQYLSRUSA-N 0 3 427.508 3.927 40 0 IHABHN O=C(NCCc1ccccn1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372567 556748993 /nfs/dbraw/zinc/74/89/93/556748993.db2.gz AGPBIGIMPMWEBN-DNQXCXABSA-N 0 3 431.511 3.511 40 0 IHABHN CCc1ncc(CN2CCC[C@@](Cc3ccccc3-c3cccnc3)(C(=O)NC)C2)cn1 ZINC000019523373 556780812 /nfs/dbraw/zinc/78/08/12/556780812.db2.gz ASBXTLYNTKVWIP-SANMLTNESA-N 0 3 429.568 3.672 40 0 IHABHN CNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(Cc2cnn(C)c2C)C1 ZINC000019553599 556797198 /nfs/dbraw/zinc/79/71/98/556797198.db2.gz JCAWNJWNSBCRLR-HHHXNRCGSA-N 0 3 446.595 3.975 40 0 IHABHN COc1ccc(CC(=O)N2C[C@@H]3CCCCN(Cc4cccc(F)c4)[C@@H]3C2)cc1OC ZINC000019560556 556802106 /nfs/dbraw/zinc/80/21/06/556802106.db2.gz GBGZAJYXVMQPNC-RBBKRZOGSA-N 0 3 426.532 3.899 40 0 IHABHN Cc1cc(C)n(Cc2ccc(C(=O)Nc3nnc(CCN4CCC(C)CC4)s3)cc2)n1 ZINC000019574451 556814470 /nfs/dbraw/zinc/81/44/70/556814470.db2.gz MZAPQFPJDHWWKH-UHFFFAOYSA-N 0 3 438.601 3.926 40 0 IHABHN COc1ccc2c(c1)c([C@H](O)CN1CCC3(CC1)C[C@H](O)c1ccccc1O3)c(C)n2C ZINC000019581546 556819709 /nfs/dbraw/zinc/81/97/09/556819709.db2.gz LWWKYMNXUATLNO-XZOQPEGZSA-N 0 3 436.552 3.879 40 0 IHABHN CNC(=O)[C@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(Cc2cnn(C)c2)C1 ZINC000019591355 556826468 /nfs/dbraw/zinc/82/64/68/556826468.db2.gz OLNRIIRBVUHAOV-SANMLTNESA-N 0 3 432.568 3.667 40 0 IHABHN C[C@H]1CCCCN1CC(=O)N1CCC(c2nc(N(C)C)ncc2-c2ccccc2F)CC1 ZINC000019695115 556851315 /nfs/dbraw/zinc/85/13/15/556851315.db2.gz TXEHWZVMANXQKV-SFHVURJKSA-N 0 3 439.579 3.929 40 0 IHABHN COc1ccc(NC(=O)c2cnc(C)nc2CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000019759149 556902932 /nfs/dbraw/zinc/90/29/32/556902932.db2.gz PKQGCDYHHHXORN-UHFFFAOYSA-N 0 3 431.540 3.896 40 0 IHABHN CCS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3ccc(C)c(C)c3)CC2)o1 ZINC000072344913 556916066 /nfs/dbraw/zinc/91/60/66/556916066.db2.gz HZVJFEMQPYXWAZ-OAQYLSRUSA-N 0 3 446.617 3.943 40 0 IHABHN CCn1cc(CN2CCC[C@@H](c3cc(-c4ccc(C(=O)NC)nc4)cc(C)n3)C2)c(C)n1 ZINC000072353684 556927703 /nfs/dbraw/zinc/92/77/03/556927703.db2.gz SBIMAOQKEDNGIV-HXUWFJFHSA-N 0 3 432.572 3.716 40 0 IHABHN Cc1ccc([C@@H](CNc2cc(Cn3ncc4ccccc4c3=O)nc(C)n2)N(C)C)cc1 ZINC000072373242 556945792 /nfs/dbraw/zinc/94/57/92/556945792.db2.gz QJKJXXWUYLPTPL-HSZRJFAPSA-N 0 3 428.540 3.566 40 0 IHABHN COc1cc2c(cc1CN1CCC[C@H](c3ccc4c(NC(C)C)n[nH]c4n3)C1)OCCO2 ZINC000072374480 556948109 /nfs/dbraw/zinc/94/81/09/556948109.db2.gz RJDHJOVIWJUYAP-INIZCTEOSA-N 0 3 437.544 3.938 40 0 IHABHN COc1cc(-c2cnc(NC3CCN(C(C)C)CC3)nc2-c2cccs2)nc(OC)n1 ZINC000072396897 556969679 /nfs/dbraw/zinc/96/96/79/556969679.db2.gz KFBTYNPEOVVOIW-UHFFFAOYSA-N 0 3 440.573 3.964 40 0 IHABHN COc1ccc(-n2ccc(-c3cc(C(=O)N4CC[C@@H](N(C)C)C4)c4ccccn34)n2)cc1 ZINC000096154803 557178773 /nfs/dbraw/zinc/17/87/73/557178773.db2.gz CFEBKOGDCOHRTH-LJQANCHMSA-N 0 3 429.524 3.577 40 0 IHABHN CN(C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccc(F)cc3)CC2)c2ccccc21 ZINC000096242215 557185913 /nfs/dbraw/zinc/18/59/13/557185913.db2.gz LETDGWQRFAHJDD-HXUWFJFHSA-N 0 3 437.559 3.555 40 0 IHABHN COc1ccccc1[C@@H](c1nnnn1CCc1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000022929930 557274248 /nfs/dbraw/zinc/27/42/48/557274248.db2.gz NNSGPIQMVXEMJN-VWLOTQADSA-N 0 3 446.599 3.574 40 0 IHABHN COc1cccc(-c2noc(CN(C)C(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)n2)c1 ZINC000222601191 557359516 /nfs/dbraw/zinc/35/95/16/557359516.db2.gz OMLSKLOTSAEMOG-IBGZPJMESA-N 0 3 438.503 3.755 40 0 IHABHN CC[C@H](C(=O)NCc1ccccc1CN1CCCCC1)N(c1ccccc1)S(C)(=O)=O ZINC000224832487 557656645 /nfs/dbraw/zinc/65/66/45/557656645.db2.gz NDYCJFCHHFSWIG-HSZRJFAPSA-N 0 3 443.613 3.534 40 0 IHABHN CCOc1ccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)cc1 ZINC000019532996 568613142 /nfs/dbraw/zinc/61/31/42/568613142.db2.gz KVPTWYSLHYPCAG-QFIPXVFZSA-N 0 3 438.572 3.644 40 0 IHABHN CCOc1ccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)cc1 ZINC000019532996 568613145 /nfs/dbraw/zinc/61/31/45/568613145.db2.gz KVPTWYSLHYPCAG-QFIPXVFZSA-N 0 3 438.572 3.644 40 0 IHABHN COc1ccc(Nc2cc(C)nc([C@H]3CCN(C(=O)CCn4nc(C)nc4C)C3)c2)cc1 ZINC000257229601 568678786 /nfs/dbraw/zinc/67/87/86/568678786.db2.gz FYSJLDWFRYPORO-IBGZPJMESA-N 0 3 434.544 3.757 40 0 IHABHN COc1ccc(NC(=O)CN2CCC(c3cc(Nc4cnccn4)cc(C)n3)CC2)cc1 ZINC000257231052 568679422 /nfs/dbraw/zinc/67/94/22/568679422.db2.gz GEZQGKROLNLVCM-UHFFFAOYSA-N 0 3 432.528 3.750 40 0 IHABHN COc1cccc(Nc2cc(C)nc([C@H]3CCN(C(=O)Cn4nnc5ccccc54)C3)c2)c1 ZINC000257273450 568699134 /nfs/dbraw/zinc/69/91/34/568699134.db2.gz NGPXHFTVOPAORM-SFHVURJKSA-N 0 3 442.523 3.903 40 0 IHABHN Cc1cccc(Nc2cc(C)nc(C3CCN(CC(=O)NCc4ccccn4)CC3)c2)n1 ZINC000257299765 568711083 /nfs/dbraw/zinc/71/10/83/568711083.db2.gz RRNHWNXRPUGMHH-UHFFFAOYSA-N 0 3 430.556 3.728 40 0 IHABHN Cc1nc(CN2CC[C@@]3(CN(Cc4ccoc4)C[C@H]3c3cn(C(C)C)cn3)C2=O)cs1 ZINC000306124985 568763597 /nfs/dbraw/zinc/76/35/97/568763597.db2.gz CDUQUZQRBVISDK-REWPJTCUSA-N 0 3 439.585 3.840 40 0 IHABHN COCCN1CC[C@@]2(CN(Cc3ccc(Cl)cc3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306125219 568763800 /nfs/dbraw/zinc/76/38/00/568763800.db2.gz CJQSKGUPFAVBAU-REWPJTCUSA-N 0 3 430.980 3.582 40 0 IHABHN O=C1N(Cc2ccsc2)CCO[C@]12CN(Cc1ccsc1)C[C@@H]2c1cccnc1 ZINC000306128468 568765213 /nfs/dbraw/zinc/76/52/13/568765213.db2.gz HAZXZJMYRAXVRQ-IRLDBZIGSA-N 0 3 425.579 3.602 40 0 IHABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3Cl)C[C@H]1C2 ZINC000306132781 568767362 /nfs/dbraw/zinc/76/73/62/568767362.db2.gz LSBDLSCRGZKHOH-CVEARBPZSA-N 0 3 425.895 3.627 40 0 IHABHN COc1ccc(CN2CCC3(CCn4ccnc4[C@H]3NC(=O)c3cscn3)CC2)cc1 ZINC000306133311 568767777 /nfs/dbraw/zinc/76/77/77/568767777.db2.gz MHZMRUUIVHQQPC-HXUWFJFHSA-N 0 3 437.569 3.505 40 0 IHABHN COc1ccc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccsc2)C3=O)cc1 ZINC000306134051 568768218 /nfs/dbraw/zinc/76/82/18/568768218.db2.gz NCOCXCUXDLXISR-UKILVPOCSA-N 0 3 449.576 3.549 40 0 IHABHN CN(C)CCNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2cccnc2)n1 ZINC000329008134 568809130 /nfs/dbraw/zinc/80/91/30/568809130.db2.gz LPWNILMCRFXONU-UHFFFAOYSA-N 0 3 436.869 3.772 40 0 IHABHN COc1ccccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NCCN(C)C)n1 ZINC000329044833 568810273 /nfs/dbraw/zinc/81/02/73/568810273.db2.gz SYCXMJSFPKUGEQ-UHFFFAOYSA-N 0 3 447.461 3.612 40 0 IHABHN C[C@H](C(=O)c1ccc(F)cc1)N1CCC(O)(CN2CCCC[C@H]2c2cccnc2)CC1 ZINC000253371731 569208478 /nfs/dbraw/zinc/20/84/78/569208478.db2.gz CDHKEHPWTKXFLB-XXBNENTESA-N 0 3 425.548 3.846 40 0 IHABHN COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000009063180 569219815 /nfs/dbraw/zinc/21/98/15/569219815.db2.gz BSZZGDPCFDJUBA-UHFFFAOYSA-N 0 3 426.513 3.650 40 0 IHABHN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063639 569220009 /nfs/dbraw/zinc/22/00/09/569220009.db2.gz PTABOQHRTHHIAK-OAQYLSRUSA-N 0 3 439.531 3.585 40 0 IHABHN CN(CCO)C(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2ccnc3ccccc23)C1 ZINC000019702131 569231753 /nfs/dbraw/zinc/23/17/53/569231753.db2.gz XTFOOBVWOXOTQI-GOSISDBHSA-N 0 3 446.576 3.898 40 0 IHABHN Cc1cc(Nc2cc(-c3ccccn3)nc(NCCN(C)C)n2)ccc1Br ZINC000328989601 569583952 /nfs/dbraw/zinc/58/39/52/569583952.db2.gz IJVRAWONQQKLDT-UHFFFAOYSA-N 0 3 427.350 4.327 40 0 IHABHN O=C(NC1CCCCC1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008298864 291374933 /nfs/dbraw/zinc/37/49/33/291374933.db2.gz SDCAPNPCVHOAOZ-AAIMPIBUSA-N 0 3 439.629 3.730 40 0 biogenic,in-vitro IHABHN NS(=O)(=O)c1ccc(CCNCc2ccccc2OCc2ccccc2Cl)cc1 ZINC000016449700 527311657 /nfs/dbraw/zinc/31/16/57/527311657.db2.gz CJGGGIWBCQKZEH-UHFFFAOYSA-N 0 3 430.957 3.899 40 0 IHABHN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030942309 556516230 /nfs/dbraw/zinc/51/62/30/556516230.db2.gz SJZLVFSKRGLGTE-CTNGQTDRSA-N 0 3 439.531 3.585 40 0 IHABHN O=C(NCc1ccc(CN2CCOCC2)cc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000038831263 556621580 /nfs/dbraw/zinc/62/15/80/556621580.db2.gz GETAKMVFTVJANV-UHFFFAOYSA-N 0 3 442.003 3.701 40 0 IHABHN COc1ccccc1/C=C/CN1C[C@@H](c2ccc(NC(C)=O)cc2)[C@]2(C1)CCCC(=O)N2 ZINC000019022612 556694532 /nfs/dbraw/zinc/69/45/32/556694532.db2.gz RWAFPCWWNWCWKB-VHJYKNPKSA-N 0 3 433.552 3.805 40 0 IHABHN Cc1cc(-c2cnc(N3CCCCC3)nc2C2CCN(Cc3cnn(C)c3C)CC2)on1 ZINC000019123292 556702129 /nfs/dbraw/zinc/70/21/29/556702129.db2.gz XNDDAZKESWDMFA-UHFFFAOYSA-N 0 3 435.576 3.852 40 0 IHABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1OC ZINC000019125172 556702766 /nfs/dbraw/zinc/70/27/66/556702766.db2.gz DEMQNPMNPGBYCA-SFTDATJTSA-N 0 3 427.541 3.705 40 0 IHABHN COc1ccc(CNC(=O)CN2CCC[C@](COc3ccc(C)cc3)(OC)CC2)cc1 ZINC000257241311 556710304 /nfs/dbraw/zinc/71/03/04/556710304.db2.gz HXPIMUKOYVIORS-VWLOTQADSA-N 0 3 426.557 3.570 40 0 IHABHN O=C1CCCC[C@]2(CN(Cc3ccc(Oc4ncccn4)cc3)C[C@H]2c2cccnc2)N1 ZINC000019339997 556739633 /nfs/dbraw/zinc/73/96/33/556739633.db2.gz PCGLHDFIESBZDE-WIOPSUGQSA-N 0 3 429.524 3.692 40 0 IHABHN O=C(c1cccs1)N1CCc2nc([C@H]3CCC[N@H+](C[C@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000019342773 556740577 /nfs/dbraw/zinc/74/05/77/556740577.db2.gz WKAOEZGAOOTWFQ-ROUUACIJSA-N 0 3 438.597 3.566 40 0 IHABHN O=C(c1cccs1)N1CCc2nc([C@H]3CCC[N@@H+](C[C@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000019342773 556740580 /nfs/dbraw/zinc/74/05/80/556740580.db2.gz WKAOEZGAOOTWFQ-ROUUACIJSA-N 0 3 438.597 3.566 40 0 IHABHN CNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(Cc2cnn(C)c2)C1 ZINC000019591354 556826540 /nfs/dbraw/zinc/82/65/40/556826540.db2.gz OLNRIIRBVUHAOV-AREMUKBSSA-N 0 3 432.568 3.667 40 0 IHABHN CNc1nc([C@@H]2CCCN2)nc2c1CCN(C(=O)C1(c3ccc(OC)cc3)CCCCC1)C2 ZINC000019707282 556866526 /nfs/dbraw/zinc/86/65/26/556866526.db2.gz OFZPIIVAJJHFMD-NRFANRHFSA-N 0 3 449.599 3.738 40 0 IHABHN O=C(CCC1CCCC1)N1C[C@@H]2CCCCN(Cc3ccc(N4CCOCC4)nc3)[C@@H]2C1 ZINC000072330665 556906974 /nfs/dbraw/zinc/90/69/74/556906974.db2.gz FTZRCODGWHPEJY-BJKOFHAPSA-N 0 3 440.632 3.702 40 0 IHABHN COc1ccc(CC(=O)N2C[C@@H]3CCCCN(CCOc4ccccc4)[C@@H]3C2)cc1OC ZINC000072330673 556906995 /nfs/dbraw/zinc/90/69/95/556906995.db2.gz FMISBXDJIPJSNI-JTHBVZDNSA-N 0 3 438.568 3.638 40 0 IHABHN CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4cc(C)c(OC)cc4C)C[C@H]32)c(OCC)n1 ZINC000072392651 556963972 /nfs/dbraw/zinc/96/39/72/556963972.db2.gz RRSZFPAGRFVIDJ-NXQMDHLFSA-N 0 3 441.572 3.629 40 0 IHABHN CC(C)c1[nH]c2ncccc2c1[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccnn1C ZINC000072395713 556968075 /nfs/dbraw/zinc/96/80/75/556968075.db2.gz VBARVRFQLVBQJU-NHCUHLMSSA-N 0 3 442.567 3.818 40 0 IHABHN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000102734077 557131720 /nfs/dbraw/zinc/13/17/20/557131720.db2.gz VARQVJBNNLKMKN-XPWALMASSA-N 0 3 448.450 3.894 40 0 IHABHN Cc1cnc(Nc2cc(C)nc(C3CCN(C(=O)[C@@H](N)Cc4ccccc4)CC3)n2)s1 ZINC000585263615 557204479 /nfs/dbraw/zinc/20/44/79/557204479.db2.gz VROBORVNRIENJD-IBGZPJMESA-N 0 3 436.585 3.570 40 0 IHABHN COc1ccc(-c2noc(CN(C)C(=O)C3CCN(Cc4ccc(F)cc4)CC3)n2)cc1 ZINC000219426321 557244892 /nfs/dbraw/zinc/24/48/92/557244892.db2.gz WEURQLGFYAMADH-UHFFFAOYSA-N 0 3 438.503 3.755 40 0 IHABHN c1ccc2c(c1)COC(CCN1CCN(CCC3OCc4ccccc4CO3)CC1)OC2 ZINC000022924312 557273617 /nfs/dbraw/zinc/27/36/17/557273617.db2.gz SJMCIHQCACFCEM-UHFFFAOYSA-N 0 3 438.568 3.530 40 0 IHABHN COc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019553486 557500668 /nfs/dbraw/zinc/50/06/68/557500668.db2.gz GBEICOCUEFDHJG-VWLOTQADSA-N 0 3 446.599 3.574 40 0 IHABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1 ZINC000225755166 557773511 /nfs/dbraw/zinc/77/35/11/557773511.db2.gz PHCYKDNDBHQCIR-QGZVFWFLSA-N 0 3 441.663 3.936 40 0 IHABHN Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)C(C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000059744973 557828492 /nfs/dbraw/zinc/82/84/92/557828492.db2.gz RVHGGEZLSNNUJZ-QOKNQOGYSA-N 0 3 437.993 3.832 40 0 IHABHN COCCOc1cccc(CN2CCC[C@@H](c3n[nH]cc3C(=O)N3CCCCCC3)C2)c1 ZINC000257206742 568668227 /nfs/dbraw/zinc/66/82/27/568668227.db2.gz BESXGFYTMAEACI-OAQYLSRUSA-N 0 3 440.588 3.831 40 0 IHABHN Cc1cccc(Nc2cc(C)nc(C3CCN(C(=O)[C@H](C)CN4CCOCC4)CC3)c2)n1 ZINC000257292123 568707527 /nfs/dbraw/zinc/70/75/27/568707527.db2.gz QKCRUUDQUWXDCI-GOSISDBHSA-N 0 3 437.588 3.511 40 0 IHABHN CC(=O)NCCn1nc([C@@H]2CCCN(Cc3cccc(OC(C)C)c3)C2)c2cccnc21 ZINC000257317676 568719271 /nfs/dbraw/zinc/71/92/71/568719271.db2.gz VKSPBWNOZLGDLX-OAQYLSRUSA-N 0 3 435.572 3.734 40 0 IHABHN COc1ccc(CN2CCC[C@H]([C@](O)(CNC(=O)C(C)(C)C)c3ccccn3)C2)c(C)c1 ZINC000257318743 568719396 /nfs/dbraw/zinc/71/93/96/568719396.db2.gz VPFAOUPANAXFAV-HFZDXXHNSA-N 0 3 439.600 3.661 40 0 IHABHN Cc1cc(Nc2ccccn2)cc([C@H]2CN(C(=O)CCc3n[nH]c4c3CCCC4)CCO2)n1 ZINC000257320023 568719908 /nfs/dbraw/zinc/71/99/08/568719908.db2.gz VVAMMQPGQFINHO-HSZRJFAPSA-N 0 3 446.555 3.663 40 0 IHABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218632068 568761873 /nfs/dbraw/zinc/76/18/73/568761873.db2.gz UGWFIKWKIQAQFF-BBTUJRGHSA-N 0 3 436.961 3.502 40 0 IHABHN CC(C)n1nccc1[C@H]1CN(C(c2ccccc2)c2ccccc2)C[C@]12OCCN(C)C2=O ZINC000306131208 568766760 /nfs/dbraw/zinc/76/67/60/568766760.db2.gz JYPSHEJIKUOVIO-KCWPFWIISA-N 0 3 444.579 3.880 40 0 IHABHN CN(C)CCNc1nc(Nc2ccc(Br)c(F)c2)cc(-c2ccccc2)n1 ZINC000329002842 568809066 /nfs/dbraw/zinc/80/90/66/568809066.db2.gz KJXRXEYQIPTIDR-UHFFFAOYSA-N 0 3 430.325 3.606 40 0 IHABHN CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CN(C[C@H](C)c2ccccc2)CCO1 ZINC000247975869 569206640 /nfs/dbraw/zinc/20/66/40/569206640.db2.gz WHFVWYAFFYCGAW-IDISGSTGSA-N 0 3 429.564 3.912 40 0 IHABHN COc1ccc(OCCN2[C@H](Cc3ccc(F)cc3)C[C@@H]3NC(=O)CCCC[C@H]32)cc1 ZINC000019712124 569235193 /nfs/dbraw/zinc/23/51/93/569235193.db2.gz QOSPLMICSQFORZ-FGCOXFRFSA-N 0 3 426.532 3.958 40 0 IHABHN CCN(CC)C(=O)c1cnc([C@@H]2CCN(Cc3c[nH]nc3-c3ccc(OC)cc3)C2)nc1C ZINC000019757513 569237106 /nfs/dbraw/zinc/23/71/06/569237106.db2.gz AZJJQDAZPXATSH-LJQANCHMSA-N 0 3 448.571 3.655 40 0 IHABHN COC[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242464041 569327815 /nfs/dbraw/zinc/32/78/15/569327815.db2.gz DTPFLKOMZAQSHM-RCCFBDPRSA-N 0 3 444.778 3.634 40 0 IHABHN CCOC[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218229386 569456863 /nfs/dbraw/zinc/45/68/63/569456863.db2.gz BQPFAFUNMDBNGR-SLFFLAALSA-N 0 3 438.387 3.679 40 0 IHABHN COC[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218240318 569456877 /nfs/dbraw/zinc/45/68/77/569456877.db2.gz DTPFLKOMZAQSHM-OKZBNKHCSA-N 0 3 444.778 3.634 40 0 IHABHN CCOC[C@@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218229165 569456892 /nfs/dbraw/zinc/45/68/92/569456892.db2.gz BQPFAFUNMDBNGR-AABGKKOBSA-N 0 3 438.387 3.679 40 0 IHABHN CC1=C[C@@H](CN2CCN(CCO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 ZINC000030882787 291365927 /nfs/dbraw/zinc/36/59/27/291365927.db2.gz XHJYYSLYIQQMBC-HJOGWXRNSA-N 0 3 438.616 3.744 40 0 biogenic,in-vitro IHABHN CC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000019022380 519734529 /nfs/dbraw/zinc/73/45/29/519734529.db2.gz GNLMBSOASQKPCZ-LEWJYISDSA-N 0 3 430.932 3.683 40 0 IHABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 ZINC000036007002 521039640 /nfs/dbraw/zinc/03/96/40/521039640.db2.gz RIWJAXKQAMZFDW-ZLNRFVROSA-N 0 3 430.460 3.842 40 0 IHABHN COc1ccccc1[C@@H](c1nnnn1Cc1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000035291462 524743327 /nfs/dbraw/zinc/74/33/27/524743327.db2.gz ZFBHHJZTCVXAGC-VWLOTQADSA-N 0 3 446.599 3.770 40 0 IHABHN COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)CC1 ZINC000038836150 556623412 /nfs/dbraw/zinc/62/34/12/556623412.db2.gz QTDSRPIWRYAELM-FQEVSTJZSA-N 0 3 427.976 3.909 40 0 IHABHN Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)OCCCO4)CC1)O2 ZINC000019219289 556713659 /nfs/dbraw/zinc/71/36/59/556713659.db2.gz CDRIOIPMAHWFRW-RTWAWAEBSA-N 0 3 425.525 3.540 40 0 IHABHN Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(NC(=O)C4CC4)cc3)CC1)O2 ZINC000019219264 556713801 /nfs/dbraw/zinc/71/38/01/556713801.db2.gz CWBYIGABAUUDPH-XZOQPEGZSA-N 0 3 436.552 3.728 40 0 IHABHN Cc1ccc2c(cc(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[n-]3)CC[N@@H+](C(C)C)C4)n2C)c1 ZINC000019221206 556715355 /nfs/dbraw/zinc/71/53/55/556715355.db2.gz BBVDPKRNXYXNIK-NRFANRHFSA-N 0 3 433.556 3.726 40 0 IHABHN Cc1ccc2c(cc(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[n-]3)CC[N@H+](C(C)C)C4)n2C)c1 ZINC000019221206 556715357 /nfs/dbraw/zinc/71/53/57/556715357.db2.gz BBVDPKRNXYXNIK-NRFANRHFSA-N 0 3 433.556 3.726 40 0 IHABHN COc1cccc(CN2CCC[C@H](c3nn(C)cc3-c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019290176 556730102 /nfs/dbraw/zinc/73/01/02/556730102.db2.gz XAEAPUYVSFWOIL-FQEVSTJZSA-N 0 3 432.572 3.866 40 0 IHABHN O=C(c1cccc(F)c1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019293541 556733099 /nfs/dbraw/zinc/73/30/99/556733099.db2.gz KHQJABSVCBTSBE-QFIPXVFZSA-N 0 3 438.547 3.825 40 0 IHABHN O=C(c1cccc(F)c1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019293541 556733102 /nfs/dbraw/zinc/73/31/02/556733102.db2.gz KHQJABSVCBTSBE-QFIPXVFZSA-N 0 3 438.547 3.825 40 0 IHABHN O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019331990 556737254 /nfs/dbraw/zinc/73/72/54/556737254.db2.gz ZJCAHXIYASGFQI-JOCHJYFZSA-N 0 3 438.547 3.825 40 0 IHABHN O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019331990 556737258 /nfs/dbraw/zinc/73/72/58/556737258.db2.gz ZJCAHXIYASGFQI-JOCHJYFZSA-N 0 3 438.547 3.825 40 0 IHABHN O=C(NCc1ccc(CO)cc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372577 556749075 /nfs/dbraw/zinc/74/90/75/556749075.db2.gz GXJXDWCSGGZBSR-JWQCQUIFSA-N 0 3 446.522 3.565 40 0 IHABHN O=C1CCCC[C@]2(CN(Cc3cccc(Oc4ncccn4)c3)C[C@H]2c2ccccn2)N1 ZINC000019402273 556753723 /nfs/dbraw/zinc/75/37/23/556753723.db2.gz YJIKAWBHSVOEKR-SQJMNOBHSA-N 0 3 429.524 3.692 40 0 IHABHN CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN(C(=O)c5ccncc5)C4)[n-]c(=O)c3C2)CC1 ZINC000019495967 556768620 /nfs/dbraw/zinc/76/86/20/556768620.db2.gz KOKZUSBRQHRGKO-SKINQDTJSA-N 0 3 435.572 3.534 40 0 IHABHN CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN(C(=O)c5ccncc5)C4)[n-]c(=O)c3C2)CC1 ZINC000019495967 556768622 /nfs/dbraw/zinc/76/86/22/556768622.db2.gz KOKZUSBRQHRGKO-SKINQDTJSA-N 0 3 435.572 3.534 40 0 IHABHN CCC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1 ZINC000019499323 556771166 /nfs/dbraw/zinc/77/11/66/556771166.db2.gz WJBWBACQVGDOPO-RTWAWAEBSA-N 0 3 428.504 3.558 40 0 IHABHN COc1ccc(CN2CCC[C@@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)c(F)c1 ZINC000019551747 556795993 /nfs/dbraw/zinc/79/59/93/556795993.db2.gz LPVKYIOYCPAORX-VWLOTQADSA-N 0 3 434.515 3.602 40 0 IHABHN COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3c[nH]c4ccc(F)cc43)CC1)O2 ZINC000019562171 556803609 /nfs/dbraw/zinc/80/36/09/556803609.db2.gz SXCSUEQAIXKWFT-VXKWHMMOSA-N 0 3 426.488 3.700 40 0 IHABHN CN1CCN(c2ncc(-c3ccncc3)c([C@@H]3CCCN(Cc4ccc(F)cc4)C3)n2)CC1 ZINC000019590123 556824881 /nfs/dbraw/zinc/82/48/81/556824881.db2.gz DEEMJQCZSHRIGI-JOCHJYFZSA-N 0 3 446.574 3.809 40 0 IHABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)[C@@H](C)Cc1cccc(Cl)c1)C2 ZINC000019710697 556874355 /nfs/dbraw/zinc/87/43/55/556874355.db2.gz JSQYLDVBVBBFBL-INIZCTEOSA-N 0 3 442.007 3.744 40 0 IHABHN CCS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3cccc(C)c3)CC2)o1 ZINC000072344904 556915896 /nfs/dbraw/zinc/91/58/96/556915896.db2.gz GVZDQQIIFMPCQH-FQEVSTJZSA-N 0 3 432.590 3.634 40 0 IHABHN CS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3cc4ccccc4o3)CC2)o1 ZINC000072344923 556916160 /nfs/dbraw/zinc/91/61/60/556916160.db2.gz FIJUTDNGSSMPOT-LJQANCHMSA-N 0 3 444.557 3.682 40 0 IHABHN COc1cccc(CN2CCC[C@@H](c3cc(C(=O)NC4Cc5ccccc5C4)on3)C2)c1 ZINC000072352773 556925172 /nfs/dbraw/zinc/92/51/72/556925172.db2.gz XPGQKUDOMPLSGW-OAQYLSRUSA-N 0 3 431.536 3.960 40 0 IHABHN CC(C)Nc1n[nH]c2nc([C@@H]3CCCN3C(=O)c3ccc(OCCN(C)C)cc3)ccc12 ZINC000072374559 556948578 /nfs/dbraw/zinc/94/85/78/556948578.db2.gz GAQRXDTZKWIFQI-NRFANRHFSA-N 0 3 436.560 3.696 40 0 IHABHN CC(=O)Oc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000006142237 556958483 /nfs/dbraw/zinc/95/84/83/556958483.db2.gz UVAZWQPBCIEZCG-VABKMULXSA-N 0 3 446.434 3.802 40 0 IHABHN O=C1C[C@]2(CN1c1ccc(F)cc1)COCCN(Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104705 557037974 /nfs/dbraw/zinc/03/79/74/557037974.db2.gz RKQSRURNIKPOGB-QHCPKHFHSA-N 0 3 438.528 3.600 40 0 IHABHN COc1cccc(-c2ccc3ccc(-n4ccc(C(=O)N5CC[C@@H](N(C)C)C5)n4)n3c2)c1 ZINC000096155465 557179749 /nfs/dbraw/zinc/17/97/49/557179749.db2.gz OQFXKYVXHXKMQX-OAQYLSRUSA-N 0 3 429.524 3.577 40 0 IHABHN CC1(C(=O)N2CCOC[C@@H](Cc3cccn4nccc34)C2)CCN(Cc2ccccc2)CC1 ZINC000585262087 557200684 /nfs/dbraw/zinc/20/06/84/557200684.db2.gz SZBJUQLWVQCCEC-QHCPKHFHSA-N 0 3 446.595 3.654 40 0 IHABHN Cc1nccn1CCOc1ccc(CN2C[C@H](O)[C@@H](Oc3cc(C)cc(C)c3C)C2)cc1 ZINC000585268819 557210424 /nfs/dbraw/zinc/21/04/24/557210424.db2.gz KWZQEHVJAZOZRI-AHWVRZQESA-N 0 3 435.568 3.820 40 0 IHABHN COc1cccc(OC[C@H](O)CN(C)Cc2ccc(OCc3c(C)noc3C)cc2)c1 ZINC000585270338 557214252 /nfs/dbraw/zinc/21/42/52/557214252.db2.gz VDRJZPJLUPXCCB-HXUWFJFHSA-N 0 3 426.513 3.751 40 0 IHABHN Cc1ccc(C)c(OC[C@@]2(O)CN(C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)CC[C@@H]2O)c1C ZINC000585285543 557224945 /nfs/dbraw/zinc/22/49/45/557224945.db2.gz ZOMIEUDDEDLDEQ-RLBRRGQKSA-N 0 3 433.633 3.756 40 0 IHABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccc(Cl)cc2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 ZINC000604382091 557236854 /nfs/dbraw/zinc/23/68/54/557236854.db2.gz DCMYCNBEIPKCHZ-OHUMZHCVSA-N 0 3 441.934 3.626 40 0 biogenic,in-vitro IHABHN COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4C)[C@@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000102914508 557309817 /nfs/dbraw/zinc/30/98/17/557309817.db2.gz JYKHCZXIQIKLBM-ACRUOGEOSA-N 0 3 448.500 3.894 40 0 IHABHN COc1ccc(-c2noc(CN(C)C(=O)[C@@H]3CCCN(Cc4ccc(F)cc4)C3)n2)cc1 ZINC000222601289 557359865 /nfs/dbraw/zinc/35/98/65/557359865.db2.gz YFORRCQAVOMWHD-LJQANCHMSA-N 0 3 438.503 3.755 40 0 IHABHN COC(=O)[C@H]1CN(C(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c2ccccc2O1 ZINC000260825648 557858204 /nfs/dbraw/zinc/85/82/04/557858204.db2.gz IOUMJKRXAIVOLK-LAUBAEHRSA-N 0 3 428.916 3.519 40 0 IHABHN O[C@@]1(COc2ccccc2F)CCCN(Cc2cccc(OCCn3ccnc3)c2)CC1 ZINC000585272830 568617883 /nfs/dbraw/zinc/61/78/83/568617883.db2.gz OWIWONQJOZOAKE-VWLOTQADSA-N 0 3 439.531 3.897 40 0 IHABHN Cc1cccc(OC[C@]2(O)COCCN(C[C@@]3(O)CC[C@H](c4ccccc4)CC3)C2)c1 ZINC000585288277 568619265 /nfs/dbraw/zinc/61/92/65/568619265.db2.gz ZWORZDLSCSHYNP-DMTNHVFBSA-N 0 3 425.569 3.526 40 0 IHABHN CNc1nc([C@H]2CCN(Cc3cccc(OC4CCCC4)c3)C2)nc2c1CN(C(C)=O)CC2 ZINC000257262784 568694432 /nfs/dbraw/zinc/69/44/32/568694432.db2.gz LMXBAVJPTIFOBR-FQEVSTJZSA-N 0 3 449.599 3.734 40 0 IHABHN CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2S(=O)(=O)c1cccnc1 ZINC000257262659 568694466 /nfs/dbraw/zinc/69/44/66/568694466.db2.gz LMHFZUQJRWAVQI-QWQGWLCTSA-N 0 3 425.598 3.719 40 0 IHABHN COc1ccc(Nc2cc(C)nc([C@H]3CCN(C(=O)Cn4nnc5ccccc54)C3)c2)cc1 ZINC000257293935 568708554 /nfs/dbraw/zinc/70/85/54/568708554.db2.gz QRTLWSIMQMKFAG-SFHVURJKSA-N 0 3 442.523 3.903 40 0 IHABHN COc1cccc(Nc2cc(C)nc([C@H]3CCN(C(=O)CCCN4CCCC4=O)C3)c2)c1 ZINC000257296729 568709799 /nfs/dbraw/zinc/70/97/99/568709799.db2.gz REDSHVOYANEFLB-IBGZPJMESA-N 0 3 436.556 3.861 40 0 IHABHN O=C(CC1CCCC1)N1CCC[C@@]2(CN(c3ncccn3)CC23CN(CC2CC2)C3)CC1 ZINC000306123405 568762837 /nfs/dbraw/zinc/76/28/37/568762837.db2.gz AMDJTSIJVHYHKP-VWLOTQADSA-N 0 3 437.632 3.588 40 0 IHABHN Cc1nc(CN2CC[C@]3(CN(Cc4ccoc4)C[C@@H]3c3cn(C(C)C)cn3)C2=O)cs1 ZINC000306124982 568763522 /nfs/dbraw/zinc/76/35/22/568763522.db2.gz CDUQUZQRBVISDK-NFBKMPQASA-N 0 3 439.585 3.840 40 0 IHABHN COCCN1CC[C@]2(CN(Cc3ccc(Cl)cc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306125216 568763660 /nfs/dbraw/zinc/76/36/60/568763660.db2.gz CJQSKGUPFAVBAU-NFBKMPQASA-N 0 3 430.980 3.582 40 0 IHABHN Cc1ccsc1CN1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccsc1)C2=O ZINC000306128626 568765530 /nfs/dbraw/zinc/76/55/30/568765530.db2.gz HGHWWYJQVDDHLF-REWPJTCUSA-N 0 3 439.606 3.910 40 0 IHABHN CN(C)CCNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(C(F)(F)F)n1 ZINC000328975502 568808102 /nfs/dbraw/zinc/80/81/02/568808102.db2.gz FLFAYFYFGIECMS-UHFFFAOYSA-N 0 3 427.780 3.729 40 0 IHABHN CN(C)CCNc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccccn2)n1 ZINC000329062323 568810756 /nfs/dbraw/zinc/81/07/56/568810756.db2.gz WWRTZKCGYKBBRG-UHFFFAOYSA-N 0 3 436.869 3.772 40 0 IHABHN O=S1(=O)CC[C@@H](N(CCNCc2cccc(Cl)c2)Cc2ccc(Cl)cc2)C1 ZINC000575421392 568863133 /nfs/dbraw/zinc/86/31/33/568863133.db2.gz PZQXPLIHRWFUPJ-HXUWFJFHSA-N 0 3 427.397 3.772 40 0 IHABHN O=C(c1ccccc1F)N1CCc2c(=O)[n-]c([C@H]3CC[N@H+](C[C@@H]4CC=CCC4)C3)nc2C1 ZINC000247798799 569206152 /nfs/dbraw/zinc/20/61/52/569206152.db2.gz DSJRLLXGMSUEIF-MSOLQXFVSA-N 0 3 436.531 3.665 40 0 IHABHN O=C(c1ccccc1F)N1CCc2c(=O)[n-]c([C@H]3CC[N@@H+](C[C@@H]4CC=CCC4)C3)nc2C1 ZINC000247798799 569206153 /nfs/dbraw/zinc/20/61/53/569206153.db2.gz DSJRLLXGMSUEIF-MSOLQXFVSA-N 0 3 436.531 3.665 40 0 IHABHN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN4CCC[C@H]4C3)cc2c1 ZINC000253499119 569208651 /nfs/dbraw/zinc/20/86/51/569208651.db2.gz PDTZOUQQAWYXDX-REWPJTCUSA-N 0 3 447.587 3.610 40 0 IHABHN CCN(CC(=O)N1CCCC1)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3nccs3)cc2)C1 ZINC000019712666 569235355 /nfs/dbraw/zinc/23/53/55/569235355.db2.gz OKYGRAKKPIQQPY-UXHICEINSA-N 0 3 442.585 3.560 40 0 IHABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218058954 569456174 /nfs/dbraw/zinc/45/61/74/569456174.db2.gz WAPZTEYKJAHIHL-LVCYWYKZSA-N 0 3 436.961 3.502 40 0 IHABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218059022 569456218 /nfs/dbraw/zinc/45/62/18/569456218.db2.gz WAPZTEYKJAHIHL-WFXMLNOXSA-N 0 3 436.961 3.502 40 0 IHABHN CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccccc3)nn2C)cc1 ZINC000008635321 291367885 /nfs/dbraw/zinc/36/78/85/291367885.db2.gz FPZUWICWECAIKT-QTJGBDASSA-N 0 3 443.595 3.761 40 0 biogenic,in-vitro IHABHN COc1cc(CN2CCC(c3nc(-c4cccnc4)cc(=O)[nH]3)CC2)cc(OC)c1OC ZINC000012234351 522369140 /nfs/dbraw/zinc/36/91/40/522369140.db2.gz XBSHZNHYSPMXSN-UHFFFAOYSA-N 0 3 436.512 3.650 40 0 IHABHN COc1cc(CN2CCC(c3nc(-c4ccncc4)cc(=O)[nH]3)CC2)cc(OC)c1OC ZINC000012327766 522371006 /nfs/dbraw/zinc/37/10/06/522371006.db2.gz PXIVEJPUQNGUTE-UHFFFAOYSA-N 0 3 436.512 3.650 40 0 IHABHN CCN1CCC[C@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccccc1 ZINC000001342309 555691166 /nfs/dbraw/zinc/69/11/66/555691166.db2.gz XOXXUBSUXBBLRM-FQEVSTJZSA-N 0 3 448.523 3.775 40 0 IHABHN CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@@H](CC(C)C)N[C@@]23c2cc(C)ccc2NC3=O)cc1 ZINC000009058974 556243593 /nfs/dbraw/zinc/24/35/93/556243593.db2.gz VORDSJCBYIFJSS-KCPMXOJXSA-N 0 3 449.551 3.982 40 0 IHABHN O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030939804 556515948 /nfs/dbraw/zinc/51/59/48/556515948.db2.gz MRBTTYBGNLVBBN-IBGZPJMESA-N 0 3 441.959 3.663 40 0 IHABHN O=C1c2cccc3c(N4CCNCC4)ccc(c23)C(=O)N1c1cccc(Br)c1 ZINC000016386219 556604298 /nfs/dbraw/zinc/60/42/98/556604298.db2.gz NAHWVLCDLQLIPX-UHFFFAOYSA-N 0 3 436.309 3.813 40 0 IHABHN CC[C@H](NC(=O)C1CCN(Cc2ccc(C)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856975 556672908 /nfs/dbraw/zinc/67/29/08/556672908.db2.gz HHACRKPUAAZAHP-QHCPKHFHSA-N 0 3 428.598 3.878 40 0 IHABHN C[C@H](C(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1)N1CCCC1 ZINC000019078266 556695575 /nfs/dbraw/zinc/69/55/75/556695575.db2.gz MSXGFFFIKZDDKB-VSZNYVQBSA-N 0 3 437.579 3.894 40 0 IHABHN C[C@@H](C(=O)c1ccc(F)cc1)N1CCC(O)(CN2CCCC[C@@H]2c2cccnc2)CC1 ZINC000019080828 556695851 /nfs/dbraw/zinc/69/58/51/556695851.db2.gz CDHKEHPWTKXFLB-WMZHIEFXSA-N 0 3 425.548 3.846 40 0 IHABHN O=C(c1ccccc1CN1CCOCC1)N1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000257262700 556712706 /nfs/dbraw/zinc/71/27/06/556712706.db2.gz LMMDZQNUNWQPRB-AZGAKELHSA-N 0 3 433.596 3.646 40 0 IHABHN COc1ccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2cccc(C)c2)CN3C(C)=O)c(OC)c1OC ZINC000019235214 556719700 /nfs/dbraw/zinc/71/97/00/556719700.db2.gz XHBMZGPLLDTCGB-VABKMULXSA-N 0 3 438.568 3.857 40 0 IHABHN Cc1ccccc1-c1ncc(CN2CC=CC[C@@]3(C(=O)N4CCN(C)CC4)CCC[C@@H]23)cn1 ZINC000019237540 556722399 /nfs/dbraw/zinc/72/23/99/556722399.db2.gz URXQMLRSSMRDIF-SHQCIBLASA-N 0 3 445.611 3.527 40 0 IHABHN CC(C)N1CCc2c(=O)[nH]c([C@@H]3CCCN3C(=O)c3cc4cc(F)ccc4n3C)nc2C1 ZINC000019448405 556757862 /nfs/dbraw/zinc/75/78/62/556757862.db2.gz HPXDFKPDHYCNLK-FQEVSTJZSA-N 0 3 437.519 3.557 40 0 IHABHN CCOc1ncc(C2(O)CCN(Cc3c(OC)ccc4ccccc43)CC2)c(OCC)n1 ZINC000019531711 556792301 /nfs/dbraw/zinc/79/23/01/556792301.db2.gz QIAQZXZRMVOVJC-UHFFFAOYSA-N 0 3 437.540 3.919 40 0 IHABHN COc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c(F)c1 ZINC000019551765 556795985 /nfs/dbraw/zinc/79/59/85/556795985.db2.gz QSUSPBGBAFDRRF-SFHVURJKSA-N 0 3 436.535 3.994 40 0 IHABHN COc1c(CN2CCC[C@](Cc3ccc(-c4ccccc4)cc3)(C(N)=O)C2)c(C)nn1C ZINC000019577953 556815539 /nfs/dbraw/zinc/81/55/39/556815539.db2.gz WONMOBFJAGAMQU-AREMUKBSSA-N 0 3 432.568 3.714 40 0 IHABHN COc1ccc2c(c1)c([C@H](O)CN1CCC3(CC1)C[C@@H](O)c1ccccc1O3)c(C)n2C ZINC000019581540 556819609 /nfs/dbraw/zinc/81/96/09/556819609.db2.gz LWWKYMNXUATLNO-DHIUTWEWSA-N 0 3 436.552 3.879 40 0 IHABHN COCc1ccc(OC)c(CN2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 ZINC000019594341 556829970 /nfs/dbraw/zinc/82/99/70/556829970.db2.gz FOKXKGDTTXVOHN-VDZJLULYSA-N 0 3 439.482 3.633 40 0 IHABHN Cc1c(CN2CCC(c3nc(C)c4c(n3)N(C)C(=O)CC4)CC2)c(-c2ccccc2)nn1C ZINC000019739326 556877572 /nfs/dbraw/zinc/87/75/72/556877572.db2.gz LDWOVSHMWCPAFL-UHFFFAOYSA-N 0 3 444.583 3.783 40 0 IHABHN COc1cc(C)ccc1CN1CCC(Cc2nn(C)cc2C(=O)NCc2ccccn2)CC1 ZINC000019756672 556900621 /nfs/dbraw/zinc/90/06/21/556900621.db2.gz VDICVMOEHOCJLB-UHFFFAOYSA-N 0 3 447.583 3.517 40 0 IHABHN COc1c(C)cccc1CN1CCC(Cc2nn(C)cc2C(=O)NCc2ccccn2)CC1 ZINC000019756725 556900754 /nfs/dbraw/zinc/90/07/54/556900754.db2.gz AJZXZZHQZVCMHL-UHFFFAOYSA-N 0 3 447.583 3.517 40 0 IHABHN O=C(NCCO)c1cc([C@@H]2CCN(Cc3cnn(C4CCCCC4)c3)C2)nc2ccccc21 ZINC000019761725 556905298 /nfs/dbraw/zinc/90/52/98/556905298.db2.gz CKGYPRAULOEPIM-HXUWFJFHSA-N 0 3 447.583 3.648 40 0 IHABHN COc1ccc(-c2ncc(CN3CC[C@H](c4cc(C(N)=O)c5ccccc5n4)C3)cn2)cc1 ZINC000019761917 556905896 /nfs/dbraw/zinc/90/58/96/556905896.db2.gz RELJHKCWLMWACQ-IBGZPJMESA-N 0 3 439.519 3.789 40 0 IHABHN CCn1ncc(CN2CCC[C@@H]([C@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)c1C ZINC000072330541 556906308 /nfs/dbraw/zinc/90/63/08/556906308.db2.gz ZMWMGFAFRVEDCI-NLFFAJNJSA-N 0 3 447.583 3.998 40 0 IHABHN CN1CCC(C(=O)N2CCC[C@H](c3nc(N)ncc3-c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000072346258 556917838 /nfs/dbraw/zinc/91/78/38/556917838.db2.gz WWIZXGILYBVWCX-KRWDZBQOSA-N 0 3 447.505 3.792 40 0 IHABHN COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2cccnc2N(C)C)C1 ZINC000072352309 556923974 /nfs/dbraw/zinc/92/39/74/556923974.db2.gz AXUQSGFJFQWRLM-QGZVFWFLSA-N 0 3 438.597 3.728 40 0 IHABHN COc1cc2c(cc1CN1CCC[C@H](c3ccc(Nc4cnccn4)cn3)C1)OCCO2 ZINC000072353460 556926931 /nfs/dbraw/zinc/92/69/31/556926931.db2.gz BUSPTUGPFFAAFU-KRWDZBQOSA-N 0 3 433.512 3.775 40 0 IHABHN CN1CCN(Cc2ccc(-c3c[nH]nc3[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC000072360814 556933262 /nfs/dbraw/zinc/93/32/62/556933262.db2.gz MXCFYXRVLCZHJJ-OAQYLSRUSA-N 0 3 439.604 3.939 40 0 IHABHN CN1CCN(Cc2ccc(-c3cn[nH]c3[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC000072360814 556933264 /nfs/dbraw/zinc/93/32/64/556933264.db2.gz MXCFYXRVLCZHJJ-OAQYLSRUSA-N 0 3 439.604 3.939 40 0 IHABHN CNc1cc([C@H]2CCCN(Cc3cccc(OC(C)C)c3)C2)nc(CN(C)C(C)=O)n1 ZINC000072370137 556933985 /nfs/dbraw/zinc/93/39/85/556933985.db2.gz DUCCNYYCDAUKQY-FQEVSTJZSA-N 0 3 425.577 3.663 40 0 IHABHN CC1CCN(C(=O)CN2CCC[C@H]2c2ccc3c(n[nH]c3NCc3ccccc3)n2)CC1 ZINC000072374506 556948237 /nfs/dbraw/zinc/94/82/37/556948237.db2.gz WCBNZFDTVHLYMK-QFIPXVFZSA-N 0 3 432.572 3.965 40 0 IHABHN Cc1ccc(C(=O)NCC(=O)NC2CCN(CC3(c4ccc(Cl)cc4)CCC3)CC2)o1 ZINC000072393394 556964261 /nfs/dbraw/zinc/96/42/61/556964261.db2.gz ZZPRWAGORUKHRE-UHFFFAOYSA-N 0 3 443.975 3.674 40 0 IHABHN COc1cc(CNCCCSc2nnnn2C)cc(Cl)c1OCc1cccs1 ZINC000022108467 557177938 /nfs/dbraw/zinc/17/79/38/557177938.db2.gz IEFMPGKXZPVULW-UHFFFAOYSA-N 0 3 439.994 3.785 40 0 IHABHN Cn1cc(-c2cnc(Nc3ccccc3)nc2)cc1C(=O)N1CCN(c2ccncc2)CC1 ZINC000096266344 557192357 /nfs/dbraw/zinc/19/23/57/557192357.db2.gz YCOWGSFKKNLGMO-UHFFFAOYSA-N 0 3 439.523 3.583 40 0 IHABHN Cc1cc(C)n(CCOc2cccc(CN3CCC[C@](O)(COc4ccccc4)C3)c2)n1 ZINC000585272255 557217245 /nfs/dbraw/zinc/21/72/45/557217245.db2.gz ROYOQLDPJLDGCM-AREMUKBSSA-N 0 3 435.568 3.985 40 0 IHABHN CC(=O)N1CCN([C@H]2CC[C@H](c3ccccc3)CC2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585281872 557220132 /nfs/dbraw/zinc/22/01/32/557220132.db2.gz DEUUIUORUBUBPJ-RGSZASNESA-N 0 3 436.596 3.995 40 0 IHABHN COc1ccc(-c2noc(CN(C)C(=O)C3CCN(Cc4ccc(C)cc4)CC3)n2)cc1 ZINC000219409209 557243113 /nfs/dbraw/zinc/24/31/13/557243113.db2.gz ZNCCKFUCJYRKAX-UHFFFAOYSA-N 0 3 434.540 3.924 40 0 IHABHN CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 ZINC000223279969 557454999 /nfs/dbraw/zinc/45/49/99/557454999.db2.gz RLPIIBPRDLKKFZ-DHIUTWEWSA-N 0 3 435.597 3.805 40 0 IHABHN Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)C(C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000059744968 557828526 /nfs/dbraw/zinc/82/85/26/557828526.db2.gz RVHGGEZLSNNUJZ-URLQWDBASA-N 0 3 437.993 3.832 40 0 IHABHN CC(C)(C)c1ccc(-c2cn(C[C@H]3C[C@H]4CCN3C[C@@H]4C(=O)NCc3ccco3)nn2)cc1 ZINC000008297626 560108515 /nfs/dbraw/zinc/10/85/15/560108515.db2.gz JFYPCOMTCPKZLT-LSWJPFSZSA-N 0 3 447.583 3.862 40 0 biogenic,in-vitro IHABHN CN(CCc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)cc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000257272070 568698539 /nfs/dbraw/zinc/69/85/39/568698539.db2.gz NAYVSFZIAYASLM-LUKWVAJMSA-N 0 3 444.547 3.774 40 0 IHABHN O=C(c1ccc(OCCN2CCCCC2)cc1)N1CCC[C@H]1c1cncc(-n2ccnc2)n1 ZINC000257274262 568699484 /nfs/dbraw/zinc/69/94/84/568699484.db2.gz NKFWZTWQWOKLHI-QHCPKHFHSA-N 0 3 446.555 3.504 40 0 IHABHN Cc1ccc(Nc2cc(C)nc([C@H]3CCCN(S(=O)(=O)c4cn(C)cn4)C3)c2)cc1 ZINC000257292861 568708196 /nfs/dbraw/zinc/70/81/96/568708196.db2.gz QNFZIZGCZBIPMX-SFHVURJKSA-N 0 3 425.558 3.744 40 0 IHABHN CC(=O)N1[C@@H]2CCC[C@@H]3N(C(=O)CN4CCCCCC4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257310270 568715661 /nfs/dbraw/zinc/71/56/61/568715661.db2.gz UEKXVWINVXQXIV-GAYSTUHSSA-N 0 3 437.628 3.864 40 0 IHABHN CN1CCC(C(=O)N2CC[C@@]3(C)[C@@H]2CCC(=O)N3Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000257315081 568717639 /nfs/dbraw/zinc/71/76/39/568717639.db2.gz 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O=C(c1ccncc1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 ZINC000306136062 568769122 /nfs/dbraw/zinc/76/91/22/568769122.db2.gz PIBDDHICHAIJLI-UHFFFAOYSA-N 0 3 443.551 3.565 40 0 IHABHN O=C1N(Cc2ccsc2)CCO[C@]12CN(Cc1cccs1)C[C@@H]2c1cccnc1 ZINC000306142185 568772699 /nfs/dbraw/zinc/77/26/99/568772699.db2.gz WSFJZCVPOZAWBT-IRLDBZIGSA-N 0 3 425.579 3.602 40 0 IHABHN O=C1N(Cc2ccsc2)CCO[C@@]12CN(Cc1cccs1)C[C@H]2c1cccnc1 ZINC000306142186 568772739 /nfs/dbraw/zinc/77/27/39/568772739.db2.gz WSFJZCVPOZAWBT-RBBKRZOGSA-N 0 3 425.579 3.602 40 0 IHABHN O=C(NC1CCN(Cc2ccccc2)CC1)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC000028631843 568864610 /nfs/dbraw/zinc/86/46/10/568864610.db2.gz YFGHONBNTIVMPW-HKOYGPOVSA-N 0 3 429.520 3.831 40 0 IHABHN COc1cc(CN2CC[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)ccc1OC(C)C ZINC000019695016 569229518 /nfs/dbraw/zinc/22/95/18/569229518.db2.gz NGKVSDKOFRURJB-LJQANCHMSA-N 0 3 448.571 3.785 40 0 IHABHN COc1ccc(CN2CC[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)cc1OC(C)C ZINC000019695052 569229549 /nfs/dbraw/zinc/22/95/49/569229549.db2.gz YFZNPOPWEOKOCK-LJQANCHMSA-N 0 3 448.571 3.785 40 0 IHABHN COc1ccc(CN2CC[C@H](c3c4cccnc4sc3C(N)=O)C2)cc1Cn1cccn1 ZINC000019702231 569231732 /nfs/dbraw/zinc/23/17/32/569231732.db2.gz QKEKEPHNPSVQIM-KRWDZBQOSA-N 0 3 447.564 3.638 40 0 IHABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252515872 569288168 /nfs/dbraw/zinc/28/81/68/569288168.db2.gz OFWVXHUKENCCBU-WAOWUJCRSA-N 0 3 436.961 3.502 40 0 IHABHN CCOc1c(Cl)cc(CNCCCSc2nnnn2-c2ccccc2)cc1OC ZINC000022109030 520599270 /nfs/dbraw/zinc/59/92/70/520599270.db2.gz GFYWQIZUVNFYBC-UHFFFAOYSA-N 0 3 433.965 3.995 40 0 IHABHN CCCn1ncc(CN2CCC3(C[C@]4(CO3)NC(=O)c3cc(Cl)ccc3N4)CC2)c1C ZINC000012085566 556399368 /nfs/dbraw/zinc/39/93/68/556399368.db2.gz KHFIUFISEHEPJG-HSZRJFAPSA-N 0 3 443.979 3.562 40 0 IHABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3cc(Cl)ccc3OC)cc2)CC1 ZINC000032125292 556534582 /nfs/dbraw/zinc/53/45/82/556534582.db2.gz VXPGVZXGEGLTBG-UHFFFAOYSA-N 0 3 432.977 3.617 40 0 IHABHN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccc(OC)cc2)cc1 ZINC000100830237 556595590 /nfs/dbraw/zinc/59/55/90/556595590.db2.gz FBYKKEJUYQCEDB-VJBWXMMDSA-N 0 3 448.450 3.894 40 0 IHABHN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038870016 556626488 /nfs/dbraw/zinc/62/64/88/556626488.db2.gz SJZLVFSKRGLGTE-TZIWHRDSSA-N 0 3 439.531 3.585 40 0 IHABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccnc4)[C@@H]3C2=O)cc1 ZINC000101033103 556652700 /nfs/dbraw/zinc/65/27/00/556652700.db2.gz CGDNNSCPXPIDBQ-VABKMULXSA-N 0 3 429.476 3.922 40 0 IHABHN CC(=O)Oc1ccc(CN2CCC[C@H](c3cc(N)n4nc(-c5ccco5)cc4n3)C2)cc1 ZINC000019023064 556694521 /nfs/dbraw/zinc/69/45/21/556694521.db2.gz TXBFYCSYVOZTJO-SFHVURJKSA-N 0 3 431.496 3.876 40 0 IHABHN C[C@H](C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)CC1)N1CCCC1 ZINC000019077888 556695187 /nfs/dbraw/zinc/69/51/87/556695187.db2.gz BJRXHDWKZORMAW-BPQIPLTHSA-N 0 3 437.579 3.894 40 0 IHABHN C[C@@H](C(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1)N1CCCC1 ZINC000019078269 556695517 /nfs/dbraw/zinc/69/55/17/556695517.db2.gz MSXGFFFIKZDDKB-XLAORIBOSA-N 0 3 437.579 3.894 40 0 IHABHN CC(C)C(=O)N1CCCc2cc([C@H](O)CN3CCC(COc4ccccn4)CC3)ccc21 ZINC000019085727 556699306 /nfs/dbraw/zinc/69/93/06/556699306.db2.gz PKSBJTWIUYPMJS-XMMPIXPASA-N 0 3 437.584 3.841 40 0 IHABHN COc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCc3c(C)noc3C)cc2)cc1 ZINC000257239510 556710363 /nfs/dbraw/zinc/71/03/63/556710363.db2.gz HPQROAGSTVFLKF-HXUWFJFHSA-N 0 3 426.513 3.751 40 0 IHABHN Cc1ccccc1CN1CCC[C@@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO ZINC000019237195 556722099 /nfs/dbraw/zinc/72/20/99/556722099.db2.gz VUPUDRYTKIDKJZ-HSZRJFAPSA-N 0 3 432.572 3.578 40 0 IHABHN COc1ccc(NC(=S)N(CCN(C)C)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000000880625 556732324 /nfs/dbraw/zinc/73/23/24/556732324.db2.gz IAQPHNJNAWAQPU-UHFFFAOYSA-N 0 3 438.597 3.914 40 0 IHABHN COc1ccc(NC(=S)N(CCN(C)C)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 ZINC000000880646 556732637 /nfs/dbraw/zinc/73/26/37/556732637.db2.gz GLHFBLKKTKDVOI-UHFFFAOYSA-N 0 3 438.597 3.914 40 0 IHABHN O=C(C1CC1)N1CCCc2cc([C@@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 ZINC000019332962 556737498 /nfs/dbraw/zinc/73/74/98/556737498.db2.gz SVWKEKLZZWAMQW-DEOSSOPVSA-N 0 3 438.543 3.532 40 0 IHABHN O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccc2-n2cccn2)C1)[C@@H]1CCCO1 ZINC000019348949 556744136 /nfs/dbraw/zinc/74/41/36/556744136.db2.gz XFLDUEHBXKIJLB-ZODMCCGTSA-N 0 3 445.567 3.516 40 0 IHABHN COc1ccccc1C1(O)CCN(Cc2cn(CC(=O)NC(C)C)c3ccccc23)CC1 ZINC000019449929 556760725 /nfs/dbraw/zinc/76/07/25/556760725.db2.gz ZTAROMZMEIDUDY-UHFFFAOYSA-N 0 3 435.568 3.658 40 0 IHABHN CCC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1 ZINC000019499326 556771213 /nfs/dbraw/zinc/77/12/13/556771213.db2.gz WJBWBACQVGDOPO-LEWJYISDSA-N 0 3 428.504 3.558 40 0 IHABHN CCCC(=O)N1CCc2nc([C@@H]3CCC[N@H+](Cc4ccc(C(C)C)cc4)C3)[n-]c(=O)c2C1 ZINC000019501584 556773031 /nfs/dbraw/zinc/77/30/31/556773031.db2.gz MJKNNFIUKLMBID-OAQYLSRUSA-N 0 3 436.600 3.958 40 0 IHABHN CCCC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4ccc(C(C)C)cc4)C3)[n-]c(=O)c2C1 ZINC000019501584 556773033 /nfs/dbraw/zinc/77/30/33/556773033.db2.gz MJKNNFIUKLMBID-OAQYLSRUSA-N 0 3 436.600 3.958 40 0 IHABHN CCN(CCN(C)C)c1nc(-c2ccncc2)nc2c1CN(Cc1ccccc1F)CC2 ZINC000019526593 556784793 /nfs/dbraw/zinc/78/47/93/556784793.db2.gz KLXLVSSGTVOFDR-UHFFFAOYSA-N 0 3 434.563 3.624 40 0 IHABHN COc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c(F)c1 ZINC000019551763 556796019 /nfs/dbraw/zinc/79/60/19/556796019.db2.gz QSUSPBGBAFDRRF-GOSISDBHSA-N 0 3 436.535 3.994 40 0 IHABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3c(C)n(C)c4ccccc43)CC1)C[C@@H]2O ZINC000019581800 556819879 /nfs/dbraw/zinc/81/98/79/556819879.db2.gz VGIPPHQKHBQJPV-XZOQPEGZSA-N 0 3 436.552 3.879 40 0 IHABHN CN(C)c1cc([C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)nc(-c2ccncc2)n1 ZINC000019584582 556821856 /nfs/dbraw/zinc/82/18/56/556821856.db2.gz GKYOTTMILXCMDQ-FQEVSTJZSA-N 0 3 431.540 3.755 40 0 IHABHN CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2ccc(OC)cc2OC)C1 ZINC000019591705 556827454 /nfs/dbraw/zinc/82/74/54/556827454.db2.gz HZWMTRYTBPZNPI-MHZLTWQESA-N 0 3 445.563 3.947 40 0 IHABHN CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN(Cc3ccccc3F)C2)n1 ZINC000019694680 556850744 /nfs/dbraw/zinc/85/07/44/556850744.db2.gz ZAWDKBXCKRENPY-FQEVSTJZSA-N 0 3 433.531 3.827 40 0 IHABHN C[C@@H]1CCCCN1CC(=O)N1CCC(c2nc(N(C)C)ncc2-c2ccccc2F)CC1 ZINC000019695114 556851325 /nfs/dbraw/zinc/85/13/25/556851325.db2.gz TXEHWZVMANXQKV-GOSISDBHSA-N 0 3 439.579 3.929 40 0 IHABHN Cn1cc(C(=O)NCc2ccccc2)c(CC2CCN(Cc3c[nH]nc3C(C)(C)C)CC2)n1 ZINC000019756721 556900720 /nfs/dbraw/zinc/90/07/20/556900720.db2.gz TUJJPHCSUHAXJS-UHFFFAOYSA-N 0 3 448.615 3.825 40 0 IHABHN CCN(CC)S(=O)(=O)N1CCC[C@@H](c2cc(Nc3cccc(OC)c3)cc(C)n2)C1 ZINC000072352075 556923023 /nfs/dbraw/zinc/92/30/23/556923023.db2.gz WGZTYWWRYSPXMZ-GOSISDBHSA-N 0 3 432.590 3.908 40 0 IHABHN CNc1cc(Nc2nccc([C@H]3CCCN(Cc4ccc5ncccc5c4)C3)n2)ncn1 ZINC000072377991 556956658 /nfs/dbraw/zinc/95/66/58/556956658.db2.gz DUZJLENHACXCGT-IBGZPJMESA-N 0 3 426.528 3.980 40 0 IHABHN COc1ccc(C(C)(C)C)cc1CN1C[C@H]2[C@H](CC[C@]2(O)c2cnc(OC)nc2OC)C1 ZINC000072395404 556967299 /nfs/dbraw/zinc/96/72/99/556967299.db2.gz QAXJRDVKFFXARX-BXEPQMNJSA-N 0 3 441.572 3.530 40 0 IHABHN CCC(=O)N[C@H]1CN(Cc2c(C)nn(CC)c2C)C[C@@H]1c1cn(C)c2ccc(OC)cc12 ZINC000072395727 556968080 /nfs/dbraw/zinc/96/80/80/556968080.db2.gz YGHGVUIWEOHBOL-PKTZIBPZSA-N 0 3 437.588 3.514 40 0 IHABHN CCC(C)(C)n1nnnc1[C@H](c1ccccc1OC)N1CCN(C2CCCCC2)CC1 ZINC000020140070 556989413 /nfs/dbraw/zinc/98/94/13/556989413.db2.gz RZGFCIXNRWMHQZ-QFIPXVFZSA-N 0 3 426.609 3.867 40 0 IHABHN Cc1c(C)n(C[C@H](O)CN(C)Cc2ccc(OCCN3CCCC3=O)cc2)c2ccccc12 ZINC000585270555 557151148 /nfs/dbraw/zinc/15/11/48/557151148.db2.gz MLLVJLLOYGPLJY-HSZRJFAPSA-N 0 3 449.595 3.752 40 0 IHABHN Cc1nccn1CCOc1ccc(CN2CCC(O)(COc3ccc(C)cc3)CC2)cc1 ZINC000585271658 557214928 /nfs/dbraw/zinc/21/49/28/557214928.db2.gz BHPWTPJUGCCOJH-UHFFFAOYSA-N 0 3 435.568 3.985 40 0 IHABHN OC1(COc2ccccc2F)CCN(Cc2ccc(OCCCn3cccn3)cc2)CC1 ZINC000585273040 557215301 /nfs/dbraw/zinc/21/53/01/557215301.db2.gz MWSALAJSYPRBGC-UHFFFAOYSA-N 0 3 439.531 3.897 40 0 IHABHN CC(C)(C)[C@H]1CC[C@](O)(CN2CCOC[C@](O)(COc3ccc(F)c(Cl)c3)C2)CC1 ZINC000585287606 557227550 /nfs/dbraw/zinc/22/75/50/557227550.db2.gz PLFAPROCNKXCAB-IMRHEYAYSA-N 0 3 443.987 3.889 40 0 IHABHN COc1cccc(-c2noc(CN(C)C(=O)C3CCN(Cc4cccc(C)c4)CC3)n2)c1 ZINC000219407334 557243088 /nfs/dbraw/zinc/24/30/88/557243088.db2.gz BKMULAVYNZWXJV-UHFFFAOYSA-N 0 3 434.540 3.924 40 0 IHABHN COc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000022929140 557277423 /nfs/dbraw/zinc/27/74/23/557277423.db2.gz BBWRCOBWMOERQI-VWLOTQADSA-N 0 3 446.599 3.770 40 0 IHABHN COc1ccc(N2C(=O)C3ON(c4ccc(OC)cc4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000102693141 557305513 /nfs/dbraw/zinc/30/55/13/557305513.db2.gz MRIXZMITUCEVGP-VABKMULXSA-N 0 3 430.460 3.755 40 0 IHABHN COCCOc1cc(CN2CCC[C@@](O)(COc3ccccc3F)CC2)ccc1OC ZINC000585269994 568616817 /nfs/dbraw/zinc/61/68/17/568616817.db2.gz AESWWJSSUMPXSV-DEOSSOPVSA-N 0 3 433.520 3.656 40 0 IHABHN CN(C)CCOc1ccc(C(=O)N2CCC[C@@H](c3cccc(Nc4cnccn4)n3)C2)cc1 ZINC000257200305 568665201 /nfs/dbraw/zinc/66/52/01/568665201.db2.gz ACUWYLRZFITBRR-HXUWFJFHSA-N 0 3 446.555 3.575 40 0 IHABHN Cc1nc2cc([C@@H]3CCN(Cc4cccnc4)C3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257234345 568681066 /nfs/dbraw/zinc/68/10/66/568681066.db2.gz GTCKRTKWWUGWHD-HXUWFJFHSA-N 0 3 434.588 3.578 40 0 IHABHN Cc1nc([C@H]2CCN(Cc3ccc(C(C)C)cc3)C2)nc(C)c1CC(=O)N1CCOCC1 ZINC000257239907 568683761 /nfs/dbraw/zinc/68/37/61/568683761.db2.gz HRHZBALLCWFRPU-QHCPKHFHSA-N 0 3 436.600 3.608 40 0 IHABHN COc1ccccc1[C@@H]1CN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)CCN1C(C)=O ZINC000257275531 568700259 /nfs/dbraw/zinc/70/02/59/568700259.db2.gz NPUGYJYPMKHGIY-DEOSSOPVSA-N 0 3 449.595 3.729 40 0 IHABHN O=C(c1ccccc1CN1CCCCC1)N1CCOC[C@H](Cc2nccn3cccc23)C1 ZINC000257295586 568709121 /nfs/dbraw/zinc/70/91/21/568709121.db2.gz QYZYYECFQHRLFB-OAQYLSRUSA-N 0 3 432.568 3.652 40 0 IHABHN Cc1nc2ccc(NC(=O)CN3[C@H](Cc4ccccc4)C[C@H]4NC(=O)CCCC[C@@H]43)cc2[nH]1 ZINC000257303091 568712698 /nfs/dbraw/zinc/71/26/98/568712698.db2.gz SFSMGLGJEZFKOI-HUVFLSCGSA-N 0 3 445.567 3.554 40 0 IHABHN COc1ccc(CN2CCC[C@H]([C@@](O)(CNC(=O)C(C)(C)C)c3ccccn3)C2)c(C)c1 ZINC000257318744 568719556 /nfs/dbraw/zinc/71/95/56/568719556.db2.gz VPFAOUPANAXFAV-LVXARBLLSA-N 0 3 439.600 3.661 40 0 IHABHN O=C(c1ccccc1CN1CCCCC1)N1CC[C@]2(CN(Cc3ccccc3)C(=O)O2)C1 ZINC000257337648 568727675 /nfs/dbraw/zinc/72/76/75/568727675.db2.gz YTTHFTNLTZOGSG-AREMUKBSSA-N 0 3 433.552 3.910 40 0 IHABHN O=C(c1ccc(OCCN2CCCC2)cc1)N1CCC[C@@H]1c1cccc(-n2ccnc2)n1 ZINC000257342783 568729966 /nfs/dbraw/zinc/72/99/66/568729966.db2.gz ZQDQGYIVRQYIAR-HSZRJFAPSA-N 0 3 431.540 3.719 40 0 IHABHN COC[C@@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218240111 568741027 /nfs/dbraw/zinc/74/10/27/568741027.db2.gz DTPFLKOMZAQSHM-SQNIBIBYSA-N 0 3 444.778 3.634 40 0 IHABHN Cc1cccc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccsc2)C3=O)c1 ZINC000306137107 568769893 /nfs/dbraw/zinc/76/98/93/568769893.db2.gz QLOMMCQCVOCDBE-ZCYQVOJMSA-N 0 3 433.577 3.849 40 0 IHABHN Cc1cccc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccsc2)C3=O)c1 ZINC000306137106 568769948 /nfs/dbraw/zinc/76/99/48/568769948.db2.gz QLOMMCQCVOCDBE-UKILVPOCSA-N 0 3 433.577 3.849 40 0 IHABHN COc1cccc(CN2CCC3(CC2)CN(C)C[C@@H](C(=O)Nc2cccc(Cl)c2)O3)c1 ZINC000306139108 568771065 /nfs/dbraw/zinc/77/10/65/568771065.db2.gz SPSVFGPMBVZJLI-QFIPXVFZSA-N 0 3 443.975 3.653 40 0 IHABHN Cc1nc(CN2CC[C@]3(CN(Cc4ccco4)C[C@H]3c3cn(C(C)C)cn3)C2=O)cs1 ZINC000306145171 568774200 /nfs/dbraw/zinc/77/42/00/568774200.db2.gz ZZYUBXUSCVRKCT-NZQKXSOJSA-N 0 3 439.585 3.840 40 0 IHABHN CCOC(=O)c1c([N-]C(=O)c2cc(-c3ccccc3C)on2)sc2c1CC[C@@H]([NH3+])C2 ZINC000061997332 568791047 /nfs/dbraw/zinc/79/10/47/568791047.db2.gz CNFQVLBNHXHNFM-CYBMUJFWSA-N 0 3 425.510 3.957 40 0 IHABHN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN4CCC[C@H]4C3)cc2c1 ZINC000253499118 569208599 /nfs/dbraw/zinc/20/85/99/569208599.db2.gz PDTZOUQQAWYXDX-NZQKXSOJSA-N 0 3 447.587 3.610 40 0 IHABHN COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)c(C)c1C ZINC000019577340 569227246 /nfs/dbraw/zinc/22/72/46/569227246.db2.gz VNYUVYKEONCXHA-GVXSCFBNSA-N 0 3 437.584 3.956 40 0 IHABHN CC(=O)NCc1cnn(-c2ccc(C)cc2)c1[C@@H]1CCN(Cc2cnc(C(C)C)nc2)C1 ZINC000019708007 569234650 /nfs/dbraw/zinc/23/46/50/569234650.db2.gz YRBHIWOGNATQNX-OAQYLSRUSA-N 0 3 432.572 3.720 40 0 IHABHN CN(C)c1ncc(CN2CC[C@]3(C)[C@H]2CCCCC(=O)N3Cc2ccc(F)cc2)cn1 ZINC000019713673 569235636 /nfs/dbraw/zinc/23/56/36/569235636.db2.gz SMVGHPVDXBULDS-ZJSXRUAMSA-N 0 3 425.552 3.618 40 0 IHABHN CCN(CC)CC(=O)N1CCCC[C@H]1c1ncc(C(=O)Nc2ccc(F)cc2)c(C)n1 ZINC000019764893 569238614 /nfs/dbraw/zinc/23/86/14/569238614.db2.gz CWILYYALEICDGM-FQEVSTJZSA-N 0 3 427.524 3.572 40 0 IHABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@@H]3C2=O)c(OC)c1 ZINC000009158063 569293941 /nfs/dbraw/zinc/29/39/41/569293941.db2.gz UBZIBLXCIWQIKU-ZRBLBEILSA-N 0 3 448.450 3.894 40 0 IHABHN COCCNC(=O)c1cc([C@H]2CCN(Cc3ccc(C)cc3OC)C2)nc2ccccc21 ZINC000019761875 569328723 /nfs/dbraw/zinc/32/87/23/569328723.db2.gz BCPPJKACCLRDDR-IBGZPJMESA-N 0 3 433.552 3.918 40 0 IHABHN CN(Cc1cccnc1)C(=O)[C@@H]1CCC[C@@H](NCc2cccc(Cl)c2)CN(C)C(=O)C1 ZINC000096113466 291368332 /nfs/dbraw/zinc/36/83/32/291368332.db2.gz NXJOTALSWQVIJJ-IFMALSPDSA-N 0 3 442.991 3.500 40 0 biogenic,in-vitro IHABHN O=C1c2cccc3c(N4CCNCC4)ccc(c23)C(=O)N1c1ccc(Br)cc1 ZINC000003015615 132260383 /nfs/dbraw/zinc/26/03/83/132260383.db2.gz UPVMXSLKBCIYCY-UHFFFAOYSA-N 0 3 436.309 3.813 40 0 IHABHN CCN(CC)Cc1cc(OC(=O)c2cc(OC)c(OC)c(OC)c2)cc(C(=O)OC)c1 ZINC000001622051 555706361 /nfs/dbraw/zinc/70/63/61/555706361.db2.gz QOYTWCFNWSADSP-UHFFFAOYSA-N 0 3 431.485 3.560 40 0 IHABHN COc1cc([C@](O)(CCN2CCCCC2)c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000002048275 555728301 /nfs/dbraw/zinc/72/83/01/555728301.db2.gz MHJLLVYDIAGTRN-DEOSSOPVSA-N 0 3 429.513 3.553 40 0 IHABHN CCOC(=O)Oc1ccc([C@H](CNC(C)C)OC(=O)OCC)cc1OC(=O)OCC ZINC000005830546 556067289 /nfs/dbraw/zinc/06/72/89/556067289.db2.gz MKFWHCDCVRHFGH-KRWDZBQOSA-N 0 3 427.450 3.969 40 0 IHABHN CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000039751085 556438438 /nfs/dbraw/zinc/43/84/38/556438438.db2.gz PLYFETZMAPLOKL-UHFFFAOYSA-N 0 3 443.613 3.876 40 0 IHABHN COCCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030941876 556516259 /nfs/dbraw/zinc/51/62/59/556516259.db2.gz SOMMHUZHFLFPDV-IBGZPJMESA-N 0 3 443.975 3.957 40 0 IHABHN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000101075348 556653857 /nfs/dbraw/zinc/65/38/57/556653857.db2.gz VARQVJBNNLKMKN-VABKMULXSA-N 0 3 448.450 3.894 40 0 IHABHN COc1ccc(CNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c(OC)c1OC ZINC000044882760 556674365 /nfs/dbraw/zinc/67/43/65/556674365.db2.gz WHZQSCLVSBTPGZ-GOSISDBHSA-N 0 3 432.948 3.894 40 0 IHABHN COc1ccc(CNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c(OC)c1OC ZINC000044882764 556674397 /nfs/dbraw/zinc/67/43/97/556674397.db2.gz WHZQSCLVSBTPGZ-SFHVURJKSA-N 0 3 432.948 3.894 40 0 IHABHN CC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)c(C)cc2O3)cc1 ZINC000019125655 556703199 /nfs/dbraw/zinc/70/31/99/556703199.db2.gz UQAUMGXHIRLYEN-YADHBBJMSA-N 0 3 444.959 3.991 40 0 IHABHN Cn1ccnc1COc1ccc(CN2CCC(O)(COc3ccc(F)cc3)CC2)cc1 ZINC000257307861 556718113 /nfs/dbraw/zinc/71/81/13/556718113.db2.gz TUKOVDYQMORMGB-UHFFFAOYSA-N 0 3 425.504 3.544 40 0 IHABHN CCc1ncc(CN2CC[C@](Cc3ccc(-c4cccnc4)cc3)(C(=O)N(C)C)C2)cn1 ZINC000019523319 556780766 /nfs/dbraw/zinc/78/07/66/556780766.db2.gz NXERKRHNRITEEV-AREMUKBSSA-N 0 3 429.568 3.624 40 0 IHABHN CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4[nH]c5ccccc5c4C)C[C@H]32)c(OCC)n1 ZINC000019531777 556792232 /nfs/dbraw/zinc/79/22/32/556792232.db2.gz CAMKBURYNIVZEQ-WVFSIPRWSA-N 0 3 436.556 3.793 40 0 IHABHN COc1cccc([C@@H]2CN(C(=O)CN3CCC4(C3)CCCCC4)C[C@H]2c2csnn2)c1 ZINC000019566030 556806570 /nfs/dbraw/zinc/80/65/70/556806570.db2.gz UWSOKDFSHQEBOG-LEWJYISDSA-N 0 3 440.613 3.913 40 0 IHABHN Cc1cc(C(=O)CN2CCC(O)(CN3CCCC[C@@H]3c3cccnc3)CC2)c(C)s1 ZINC000019567829 556807779 /nfs/dbraw/zinc/80/77/79/556807779.db2.gz BAGVEDPACJJYEH-JOCHJYFZSA-N 0 3 427.614 3.997 40 0 IHABHN COCC(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cc3c(cc2OC)CCCC3)C1 ZINC000019592990 556829154 /nfs/dbraw/zinc/82/91/54/556829154.db2.gz UBYJPRQFSOUNTN-HFZDXXHNSA-N 0 3 437.584 3.685 40 0 IHABHN CNc1nc([C@H]2CCCN2)nc2c1CN(CC(=O)Nc1ccccc1-c1ccccc1)CC2 ZINC000019710811 556874324 /nfs/dbraw/zinc/87/43/24/556874324.db2.gz RPXDDHKRAXAGDV-HSZRJFAPSA-N 0 3 442.567 3.607 40 0 IHABHN CCc1cc(N2CCOCC2)nc(C2=CCN(C[C@@H](O)c3ccc4ccccc4c3)CC2)n1 ZINC000072339554 556911769 /nfs/dbraw/zinc/91/17/69/556911769.db2.gz DTQVKVXGIZPSIC-RUZDIDTESA-N 0 3 444.579 3.852 40 0 IHABHN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)CC1C(=O)Nc1cc(Cl)ccc1OC ZINC000019819181 556922007 /nfs/dbraw/zinc/92/20/07/556922007.db2.gz RTVDJYKRTLHZSV-INIZCTEOSA-N 0 3 446.862 3.926 40 0 IHABHN CCOc1ccc(CN2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1CO ZINC000072352946 556925417 /nfs/dbraw/zinc/92/54/17/556925417.db2.gz ZQPVZFYDQCYLML-OAQYLSRUSA-N 0 3 447.583 3.875 40 0 IHABHN COc1cccc(-c2noc([C@H]3CCN(Cc4ccc(OC)c(OC)c4OC)C3)n2)c1 ZINC000072369912 556933745 /nfs/dbraw/zinc/93/37/45/556933745.db2.gz ZNXDPSAWPMPMEV-KRWDZBQOSA-N 0 3 425.485 3.761 40 0 IHABHN COc1ccc2c(c1)c([C@H]1CN(Cc3c(C)nn(C(C)C)c3C)C[C@@H]1NC(C)=O)cn2C ZINC000072395732 556968106 /nfs/dbraw/zinc/96/81/06/556968106.db2.gz SYAKZDHRDJUYRM-RPWUZVMVSA-N 0 3 437.588 3.685 40 0 IHABHN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000020111547 556986042 /nfs/dbraw/zinc/98/60/42/556986042.db2.gz HDOQJGDWMQCWLE-UHFFFAOYSA-N 0 3 445.585 3.620 40 0 IHABHN CCC(C)(C)n1nnnc1[C@@H](c1ccccc1OC)N1CCN(C2CCCCC2)CC1 ZINC000020140073 556989493 /nfs/dbraw/zinc/98/94/93/556989493.db2.gz RZGFCIXNRWMHQZ-JOCHJYFZSA-N 0 3 426.609 3.867 40 0 IHABHN Cc1cnn(CCOc2ccc(CN3CCC(O)(COc4ccc(C)cc4)CC3)cc2)c1 ZINC000585273026 557215350 /nfs/dbraw/zinc/21/53/50/557215350.db2.gz MSAALKCBZLQBHP-UHFFFAOYSA-N 0 3 435.568 3.985 40 0 IHABHN CN1CCC(Oc2ccc(CNS(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)cc2)CC1 ZINC000223707294 557504478 /nfs/dbraw/zinc/50/44/78/557504478.db2.gz NWAXIYZGTMZDOP-UHFFFAOYSA-N 0 3 444.597 3.742 40 0 IHABHN Cc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCN(C3CCCC3)CC2)cc1 ZINC000020142228 557516018 /nfs/dbraw/zinc/51/60/18/557516018.db2.gz MJMKYGVKACMINZ-RUZDIDTESA-N 0 3 430.600 3.874 40 0 IHABHN CN1CCC(Oc2ccc(CNC(=S)Nc3ccc(N4CCCC4=O)cc3)cc2)CC1 ZINC000225773305 557775545 /nfs/dbraw/zinc/77/55/45/557775545.db2.gz XDKLHTZMEHWFHW-UHFFFAOYSA-N 0 3 438.597 3.773 40 0 IHABHN COC(=O)c1ccc(C)c(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000225772669 557775599 /nfs/dbraw/zinc/77/55/99/557775599.db2.gz XVBAXSKIFJGVRJ-UHFFFAOYSA-N 0 3 427.570 3.741 40 0 IHABHN CN1CCC(Oc2ccc(CNC(=S)Nc3cccc(N4CCCC4=O)c3)cc2)CC1 ZINC000225773675 557775861 /nfs/dbraw/zinc/77/58/61/557775861.db2.gz KEEOSPLKOHLKPL-UHFFFAOYSA-N 0 3 438.597 3.773 40 0 IHABHN COc1ccccc1[C@H]1CN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)CCN1C(C)=O ZINC000257275532 568700282 /nfs/dbraw/zinc/70/02/82/568700282.db2.gz NPUGYJYPMKHGIY-XMMPIXPASA-N 0 3 449.595 3.729 40 0 IHABHN COc1cccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)CCn4ccccc4=O)C3)c2)c1 ZINC000257320956 568720056 /nfs/dbraw/zinc/72/00/56/568720056.db2.gz VZMBRRNXRPHQSV-LJQANCHMSA-N 0 3 432.524 3.710 40 0 IHABHN COc1cccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccsc2)C3=O)c1 ZINC000306123585 568762821 /nfs/dbraw/zinc/76/28/21/568762821.db2.gz AQXFDUSELITRMN-NOZRDPDXSA-N 0 3 449.576 3.549 40 0 IHABHN CN(C)CCNc1nc(NCc2ccccc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329054881 568810619 /nfs/dbraw/zinc/81/06/19/568810619.db2.gz VMKRXZQMLJIHPA-UHFFFAOYSA-N 0 3 449.452 3.611 40 0 IHABHN CCn1ncc(CN2CCC[C@@H]([C@@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)c1C ZINC000019523936 569226771 /nfs/dbraw/zinc/22/67/71/569226771.db2.gz ZMWMGFAFRVEDCI-CJFMBICVSA-N 0 3 447.583 3.998 40 0 IHABHN COc1ccc(CN2CC[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)cc1OC(C)C ZINC000019695053 569229525 /nfs/dbraw/zinc/22/95/25/569229525.db2.gz YFZNPOPWEOKOCK-IBGZPJMESA-N 0 3 448.571 3.785 40 0 IHABHN CCN(CC)C(=O)c1cnc([C@H]2CCN(Cc3c[nH]nc3-c3ccc(OC)cc3)C2)nc1C ZINC000019757517 569237141 /nfs/dbraw/zinc/23/71/41/569237141.db2.gz AZJJQDAZPXATSH-IBGZPJMESA-N 0 3 448.571 3.655 40 0 IHABHN CN(C)CCCNc1nc(-c2ccccc2)cc(=NNc2c(F)c(F)cc(F)c2F)[nH]1 ZINC000329069727 569582861 /nfs/dbraw/zinc/58/28/61/569582861.db2.gz ZAIZMNDZWYVRDX-UHFFFAOYSA-N 0 3 434.441 4.503 40 0 IHABHN COc1ccc(CNC[C@H]2O[C@H](Cc3cc(COc4ccccc4)on3)CC[C@@H]2O)cc1 ZINC000077262984 291371147 /nfs/dbraw/zinc/37/11/47/291371147.db2.gz AHSOGQZHTBGHGG-ZKMPZPQNSA-N 0 3 438.524 3.503 40 0 biogenic,in-vitro IHABHN C[C@H](NCc1cc(Br)c(OCC(N)=O)c(Br)c1)c1ccccc1 ZINC000036612928 556511498 /nfs/dbraw/zinc/51/14/98/556511498.db2.gz GRQAHBWYRPAKGG-NSHDSACASA-N 0 3 442.151 3.927 40 0 IHABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Br)c3)cc2)CC1 ZINC000032125322 556534863 /nfs/dbraw/zinc/53/48/63/556534863.db2.gz ZILBDOGKXGDZFJ-UHFFFAOYSA-N 0 3 447.402 3.718 40 0 IHABHN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000101047178 556652685 /nfs/dbraw/zinc/65/26/85/556652685.db2.gz MURCILWVRZTRIQ-VJBWXMMDSA-N 0 3 448.450 3.894 40 0 IHABHN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c(OC)c1 ZINC000101047178 556652689 /nfs/dbraw/zinc/65/26/89/556652689.db2.gz MURCILWVRZTRIQ-VJBWXMMDSA-N 0 3 448.450 3.894 40 0 IHABHN CC(C)C(=O)N1CCC[C@@H](c2cc(=O)[n-]c(C3CC[NH+](Cc4ccsc4)CC3)n2)C1 ZINC000019085473 556699396 /nfs/dbraw/zinc/69/93/96/556699396.db2.gz AWKNJKUKFLFHDV-LJQANCHMSA-N 0 3 428.602 3.573 40 0 IHABHN CC(=O)Nc1cccc([C@@H]2CN(CCOc3ccc(F)cc3)C[C@]23CCCCC(=O)N3)c1 ZINC000257320334 556704140 /nfs/dbraw/zinc/70/41/40/556704140.db2.gz VWIGQIIJFOYTLL-UKILVPOCSA-N 0 3 439.531 3.691 40 0 IHABHN COc1ccc(NC(=S)N(CCN(C)C)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 ZINC000000880659 556732539 /nfs/dbraw/zinc/73/25/39/556732539.db2.gz IXEYZBUDUFAGKW-UHFFFAOYSA-N 0 3 438.597 3.914 40 0 IHABHN COc1ccccc1NC(=S)N(CCN(C)C)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000000880671 556732603 /nfs/dbraw/zinc/73/26/03/556732603.db2.gz XICRYWVHSLURCP-UHFFFAOYSA-N 0 3 438.597 3.914 40 0 IHABHN O=C(Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1)C1CC1 ZINC000019332377 556737578 /nfs/dbraw/zinc/73/75/78/556737578.db2.gz NIEKFWQFORBKII-YADHBBJMSA-N 0 3 440.515 3.558 40 0 IHABHN O=C(c1cccs1)N1CCc2nc([C@H]3CCC[N@@H+](C4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000019342761 556740697 /nfs/dbraw/zinc/74/06/97/556740697.db2.gz JVRMXYIUNQLARV-INIZCTEOSA-N 0 3 426.586 3.542 40 0 IHABHN O=C(c1cccs1)N1CCc2nc([C@H]3CCC[N@H+](C4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000019342761 556740699 /nfs/dbraw/zinc/74/06/99/556740699.db2.gz JVRMXYIUNQLARV-INIZCTEOSA-N 0 3 426.586 3.542 40 0 IHABHN CCC(=O)N1CCCc2cc([C@@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 ZINC000019498873 556770678 /nfs/dbraw/zinc/77/06/78/556770678.db2.gz QEFGDCQQAUQIJU-QHCPKHFHSA-N 0 3 426.532 3.532 40 0 IHABHN CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2cnn(CC)c2)C1 ZINC000019528758 556789184 /nfs/dbraw/zinc/78/91/84/556789184.db2.gz VTHNQNDSJHIJEG-AREMUKBSSA-N 0 3 431.584 3.926 40 0 IHABHN CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCN(Cc2c(C)nn(C)c2OC)C1 ZINC000019529127 556790637 /nfs/dbraw/zinc/79/06/37/556790637.db2.gz PIVAYBHTRIEVOW-MHZLTWQESA-N 0 3 446.595 3.975 40 0 IHABHN CCOc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)cc1 ZINC000019532994 556793059 /nfs/dbraw/zinc/79/30/59/556793059.db2.gz KVPTWYSLHYPCAG-JOCHJYFZSA-N 0 3 438.572 3.644 40 0 IHABHN CCOc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)cc1 ZINC000019532994 556793062 /nfs/dbraw/zinc/79/30/62/556793062.db2.gz KVPTWYSLHYPCAG-JOCHJYFZSA-N 0 3 438.572 3.644 40 0 IHABHN COc1cc(CN2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)cc(OC)c1OC ZINC000019549707 556794625 /nfs/dbraw/zinc/79/46/25/556794625.db2.gz IUDMKGPDISPIFU-UHFFFAOYSA-N 0 3 442.541 3.711 40 0 IHABHN COc1ccc2c(c1)[nH]cc2[C@H](O)CN1CCC2(CC1)C[C@@H](O)c1cc(OC)ccc1O2 ZINC000019562174 556803549 /nfs/dbraw/zinc/80/35/49/556803549.db2.gz AXJSHCAYUXIJLL-DHIUTWEWSA-N 0 3 438.524 3.569 40 0 IHABHN CN(C)CCN[C@H]1c2cc(-c3ccc(F)cc3)cnc2Sc2nc(-c3cccnc3)nn21 ZINC000019582920 556820462 /nfs/dbraw/zinc/82/04/62/556820462.db2.gz GWDLZTMYEQIDBB-OAQYLSRUSA-N 0 3 447.543 3.704 40 0 IHABHN Cc1nc([C@H]2CCCN(Cc3ccccc3N3CCC(O)CC3)C2)nc2c1CCCN2C ZINC000019706726 556865171 /nfs/dbraw/zinc/86/51/71/556865171.db2.gz OWZOKTKOQVKZNO-NRFANRHFSA-N 0 3 435.616 3.508 40 0 IHABHN CC(C)(C)c1n[nH]cc1CN1CC[C@@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 ZINC000019761941 556905827 /nfs/dbraw/zinc/90/58/27/556905827.db2.gz YMUWBCHEVVTFEW-GOSISDBHSA-N 0 3 447.583 3.717 40 0 IHABHN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)CC1C(=O)Nc1ccccc1OC ZINC000019819108 556922033 /nfs/dbraw/zinc/92/20/33/556922033.db2.gz IEFPYPPDQJLTPC-MRXNPFEDSA-N 0 3 428.872 3.787 40 0 IHABHN Cc1ccnc(Nc2cc([C@H]3CCCN(C(=O)[C@H](N)Cc4ccc(F)cc4)C3)nc(C)n2)c1 ZINC000072355958 556930490 /nfs/dbraw/zinc/93/04/90/556930490.db2.gz WCOYFRJEUBASSA-PZJWPPBQSA-N 0 3 448.546 3.647 40 0 IHABHN CNc1cc([C@@H]2CCCN(Cc3cccc(OC(C)C)c3)C2)nc(CN(C)C(C)=O)n1 ZINC000072370138 556934039 /nfs/dbraw/zinc/93/40/39/556934039.db2.gz DUCCNYYCDAUKQY-HXUWFJFHSA-N 0 3 425.577 3.663 40 0 IHABHN CN1CCCC[C@@](C)(C2CCN(Cc3ccccc3OCCN3CCCC3=O)CC2)C1=O ZINC000072372052 556941961 /nfs/dbraw/zinc/94/19/61/556941961.db2.gz SGQOUZPQCZLGHM-SANMLTNESA-N 0 3 441.616 3.548 40 0 IHABHN CCOCc1cc(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(-c4cccnc4)n3)C2)ccc1OC ZINC000072393165 556964498 /nfs/dbraw/zinc/96/44/98/556964498.db2.gz MMNBJVZPCHBSTC-HXUWFJFHSA-N 0 3 434.540 3.757 40 0 IHABHN CCOCc1cc(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(-c4cccnc4)n3)C2)ccc1OC ZINC000072393165 556964501 /nfs/dbraw/zinc/96/45/01/556964501.db2.gz MMNBJVZPCHBSTC-HXUWFJFHSA-N 0 3 434.540 3.757 40 0 IHABHN COCCOc1cccc(CN2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)c1 ZINC000072395705 556968094 /nfs/dbraw/zinc/96/80/94/556968094.db2.gz BGGFHBRFYOXXPO-RBUKOAKNSA-N 0 3 439.482 3.503 40 0 IHABHN CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1CN(C(=O)c1ccccc1C)CCC2 ZINC000585108081 557043430 /nfs/dbraw/zinc/04/34/30/557043430.db2.gz RCULISBOQOHKAZ-RLWLMLJZSA-N 0 3 435.568 3.616 40 0 IHABHN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000102690848 557131364 /nfs/dbraw/zinc/13/13/64/557131364.db2.gz FBYKKEJUYQCEDB-XPWALMASSA-N 0 3 448.450 3.894 40 0 IHABHN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccc(OC)cc2)cc1 ZINC000102690848 557131367 /nfs/dbraw/zinc/13/13/67/557131367.db2.gz FBYKKEJUYQCEDB-XPWALMASSA-N 0 3 448.450 3.894 40 0 IHABHN CN(C)[C@H]1CCN(C(=O)c2cnc(-c3noc4cc(N5CCCCC5)ccc43)s2)C1 ZINC000096154639 557178633 /nfs/dbraw/zinc/17/86/33/557178633.db2.gz OQAWGWILUNNWHN-INIZCTEOSA-N 0 3 425.558 3.718 40 0 IHABHN OC1(COc2ccc(F)cc2)CCN(Cc2cccc(OCCn3ccnc3)c2)CC1 ZINC000585271792 557216231 /nfs/dbraw/zinc/21/62/31/557216231.db2.gz JSZHHWDFXCOJMB-UHFFFAOYSA-N 0 3 425.504 3.507 40 0 IHABHN Cc1nccn1CCOc1cccc(CN2CCC(O)(COc3ccccc3F)CC2)c1 ZINC000585274179 557218358 /nfs/dbraw/zinc/21/83/58/557218358.db2.gz XDKDYCSSVMIGPT-UHFFFAOYSA-N 0 3 439.531 3.816 40 0 IHABHN OC1(COc2ccccc2F)CCN(Cc2cccc(OCCn3cccn3)c2)CC1 ZINC000585274128 557218386 /nfs/dbraw/zinc/21/83/86/557218386.db2.gz RVUVNILDFQPSRL-UHFFFAOYSA-N 0 3 425.504 3.507 40 0 IHABHN CC(=O)N1CCN([C@H]2CC[C@H](c3ccccc3)CC2)C[C@](O)(COc2cccc(F)c2)C1 ZINC000585281981 557221346 /nfs/dbraw/zinc/22/13/46/557221346.db2.gz DMPKEIYDVRQGLE-GVUKDKGQSA-N 0 3 440.559 3.826 40 0 IHABHN N[C@@H](Cc1ccc(F)cc1)C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3ccccn3)n2)CC1 ZINC000100708846 557270831 /nfs/dbraw/zinc/27/08/31/557270831.db2.gz BBVQRJGUBKOXEV-ZVDOUQERSA-N 0 3 448.546 3.714 40 0 IHABHN Fc1ccccc1[C@H](c1nnnn1Cc1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000022929206 557277603 /nfs/dbraw/zinc/27/76/03/557277603.db2.gz APFJSBYZPQULQS-XMMPIXPASA-N 0 3 434.563 3.900 40 0 IHABHN CCOC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000101129966 557350941 /nfs/dbraw/zinc/35/09/41/557350941.db2.gz DMTOWFDANFMRDL-ZLNRFVROSA-N 0 3 442.471 3.914 40 0 IHABHN COc1ccc(CC(=O)N2CCN(Cc3ccccc3)C[C@@H](Cc3ccccn3)C2)cc1 ZINC000072355166 557387453 /nfs/dbraw/zinc/38/74/53/557387453.db2.gz UGHFDYOCMIZTAB-XMMPIXPASA-N 0 3 429.564 3.836 40 0 IHABHN COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c2ccccc2O1 ZINC000225904363 557790077 /nfs/dbraw/zinc/79/00/77/557790077.db2.gz IOUMJKRXAIVOLK-UTKZUKDTSA-N 0 3 428.916 3.519 40 0 IHABHN Cc1ccc2n[nH]c(C(=O)N3CCO[C@H](c4cc(Nc5ccccn5)cc(C)n4)C3)c2c1 ZINC000257229719 568678795 /nfs/dbraw/zinc/67/87/95/568678795.db2.gz FZFSEWWTIOSPLW-NRFANRHFSA-N 0 3 428.496 3.927 40 0 IHABHN c1cc2c(C[C@@H]3COCCN(Cc4ccccc4OCc4ccccn4)C3)cccn2n1 ZINC000257242068 568684650 /nfs/dbraw/zinc/68/46/50/568684650.db2.gz IAYDBXUTUSFYJP-NRFANRHFSA-N 0 3 428.536 3.999 40 0 IHABHN CN(Cc1ccccc1)C(=O)[C@H]1CN(C)CC2(CCN(Cc3cccc(Cl)c3)CC2)O1 ZINC000306123087 568762521 /nfs/dbraw/zinc/76/25/21/568762521.db2.gz AEEXCRTZDNHSEV-HSZRJFAPSA-N 0 3 442.003 3.664 40 0 IHABHN COc1cccc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccsc2)C3=O)c1 ZINC000306123584 568762697 /nfs/dbraw/zinc/76/26/97/568762697.db2.gz AQXFDUSELITRMN-ILBGXUMGSA-N 0 3 449.576 3.549 40 0 IHABHN COCCn1cnc2c1C1(CCN(Cc3ccc4c(c3)OCO4)CC1)Oc1ccccc1-2 ZINC000306123383 568762815 /nfs/dbraw/zinc/76/28/15/568762815.db2.gz ALXGJSFYTAVTSJ-UHFFFAOYSA-N 0 3 433.508 3.809 40 0 IHABHN O=C1N(Cc2ccsc2)CCO[C@@]12CN(Cc1ccc(F)cc1)C[C@@H]2c1cccnc1 ZINC000306124899 568763432 /nfs/dbraw/zinc/76/34/32/568763432.db2.gz CBVLAKFNIALMSF-ISKFKSNPSA-N 0 3 437.540 3.679 40 0 IHABHN Cc1nc(CN2CC[C@]3(CN(Cc4ccoc4)C[C@H]3c3cn(C(C)C)cn3)C2=O)cs1 ZINC000306124983 568763584 /nfs/dbraw/zinc/76/35/84/568763584.db2.gz CDUQUZQRBVISDK-NZQKXSOJSA-N 0 3 439.585 3.840 40 0 IHABHN O=C1N(Cc2ccccc2)CCO[C@]12CN(Cc1ccc(F)cc1)C[C@H]2c1cccnc1 ZINC000306130345 568766125 /nfs/dbraw/zinc/76/61/25/568766125.db2.gz 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CCC(=O)N1CCc2cc([C@H](O)CN3CCC[C@@](O)(c4ccc(F)cc4)CC3)ccc21 ZINC000012188764 569224943 /nfs/dbraw/zinc/22/49/43/569224943.db2.gz IKSYYFFPOGVAQM-NOZRDPDXSA-N 0 3 426.532 3.532 40 0 IHABHN CN(CCO)C(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2cccc3cccnc32)C1 ZINC000019702215 569231831 /nfs/dbraw/zinc/23/18/31/569231831.db2.gz JZHXRDUQFQKBNU-SFHVURJKSA-N 0 3 446.576 3.898 40 0 IHABHN CCOC[C@@]1(CN)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218229293 569456885 /nfs/dbraw/zinc/45/68/85/569456885.db2.gz BQPFAFUNMDBNGR-UFYCRDLUSA-N 0 3 438.387 3.679 40 0 IHABHN CC[C@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1CC(=O)NCCN(C)C ZINC000005434174 291367703 /nfs/dbraw/zinc/36/77/03/291367703.db2.gz BGAJJUJJIWBPAX-HOTGVXAUSA-N 0 3 428.499 3.653 40 0 biogenic,in-vitro IHABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3cccc(OC(C)C)c3)cc2)CC1 ZINC000006517678 132277510 /nfs/dbraw/zinc/27/75/10/132277510.db2.gz XCSPGVUQWMXHMP-UHFFFAOYSA-N 0 3 426.586 3.743 40 0 IHABHN Fc1ccc(Cn2nnnc2[C@@H](c2cccs2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000001328010 555690316 /nfs/dbraw/zinc/69/03/16/555690316.db2.gz BCZOUNIDJGNHQT-JOCHJYFZSA-N 0 3 440.592 3.962 40 0 IHABHN COCCCN1C(=O)C(CC(=O)Nc2ccc(C)cc2Cl)n2c3ccccc3nc21 ZINC000039963990 556630635 /nfs/dbraw/zinc/63/06/35/556630635.db2.gz PAXBOCJUAODFKA-LJQANCHMSA-N 0 3 426.904 3.951 40 0 IHABHN CCOc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)ccc1O ZINC000017746346 556679224 /nfs/dbraw/zinc/67/92/24/556679224.db2.gz QBRWSSZSUDHTHM-VABKMULXSA-N 0 3 448.450 3.981 40 0 IHABHN COC(=O)Cn1cc(CN2CCC(NC(C)=O)(c3ccccc3F)CC2)c2ccccc21 ZINC000019021167 556693998 /nfs/dbraw/zinc/69/39/98/556693998.db2.gz WNHQIRNFZXDJAI-UHFFFAOYSA-N 0 3 437.515 3.581 40 0 IHABHN CC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)c(C)cc2O3)cc1 ZINC000019125664 556703174 /nfs/dbraw/zinc/70/31/74/556703174.db2.gz UQAUMGXHIRLYEN-VXKWHMMOSA-N 0 3 444.959 3.991 40 0 IHABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000013648415 556707573 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CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CC=C(c4ccc(Cl)cc4)CC3)ccc21 ZINC000019572428 556812439 /nfs/dbraw/zinc/81/24/39/556812439.db2.gz DBQDUEHXVQIWQO-HSZRJFAPSA-N 0 3 447.000 3.875 40 0 IHABHN CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2ccc(OC)cc2F)C1 ZINC000019591281 556826519 /nfs/dbraw/zinc/82/65/19/556826519.db2.gz HXOXEGQGJKXJPW-SANMLTNESA-N 0 3 448.542 3.862 40 0 IHABHN CCOc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3ccc(C)cc3)cc2c1 ZINC000006090230 556829002 /nfs/dbraw/zinc/82/90/02/556829002.db2.gz YECZHRXDPPYKEU-UHFFFAOYSA-N 0 3 438.597 3.996 40 0 IHABHN Cc1cc2cc(CN(CCN(C)C)C(=S)NCCc3ccccc3)c(=O)[nH]c2cc1C ZINC000006320698 556832646 /nfs/dbraw/zinc/83/26/46/556832646.db2.gz KWQKCTMSNNOSAM-UHFFFAOYSA-N 0 3 436.625 3.626 40 0 IHABHN Cc1nc([C@@H]2CCCN(C3CCOCC3)C2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019741345 556883345 /nfs/dbraw/zinc/88/33/45/556883345.db2.gz NCISMQHFZDIXAY-LJQANCHMSA-N 0 3 438.547 3.762 40 0 IHABHN O=C(CN1CCCC1)N1CCC(c2ccc3c(NCc4ccccc4F)n[nH]c3n2)CC1 ZINC000019745124 556891966 /nfs/dbraw/zinc/89/19/66/556891966.db2.gz SBSHVZHSMKDKIR-UHFFFAOYSA-N 0 3 436.535 3.511 40 0 IHABHN COc1ccc(CN2CCC[C@H]([C@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)c(C)c1C ZINC000072330580 556906677 /nfs/dbraw/zinc/90/66/77/556906677.db2.gz VNYUVYKEONCXHA-TUSQITKMSA-N 0 3 437.584 3.956 40 0 IHABHN O=C(c1cccs1)N1CCc2nc(C3CC[NH+](CC4CCCCC4)CC3)[n-]c(=O)c2C1 ZINC000072398983 556971084 /nfs/dbraw/zinc/97/10/84/556971084.db2.gz BSFLTOQUOSFNFB-UHFFFAOYSA-N 0 3 440.613 3.790 40 0 IHABHN Cc1nc(C)c(CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NCc3cc(F)cc(F)c3)C2)s1 ZINC000585109124 557044244 /nfs/dbraw/zinc/04/42/44/557044244.db2.gz AJWWRMOKXLPJSM-AHRSYUTCSA-N 0 3 435.540 3.582 40 0 IHABHN Cc1ccccc1CN(C)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000585262264 557201570 /nfs/dbraw/zinc/20/15/70/557201570.db2.gz HMJGJDMJXCTTBD-LUKWVAJMSA-N 0 3 426.557 3.901 40 0 IHABHN Cc1cc(Nc2ncc(CC(F)(F)F)s2)nc(C2CCN(C(=O)C(C)(C)N)CC2)n1 ZINC000585263016 557203059 /nfs/dbraw/zinc/20/30/59/557203059.db2.gz HKVFZLVWQBISLB-UHFFFAOYSA-N 0 3 442.511 3.533 40 0 IHABHN Cc1nccn1CCOc1ccc(CN2CCC(O)(COc3ccccc3F)CC2)cc1 ZINC000585271836 557216140 /nfs/dbraw/zinc/21/61/40/557216140.db2.gz CYNPBANFQNUQSB-UHFFFAOYSA-N 0 3 439.531 3.816 40 0 IHABHN Fc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCN(C3CCCC3)CC2)cc1 ZINC000022929902 557274281 /nfs/dbraw/zinc/27/42/81/557274281.db2.gz QQYCIFMLRQWVIC-XMMPIXPASA-N 0 3 434.563 3.705 40 0 IHABHN COc1ccc(Cn2nnnc2[C@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000022929464 557277723 /nfs/dbraw/zinc/27/77/23/557277723.db2.gz XTFMHQCCXVWLMS-VWLOTQADSA-N 0 3 446.599 3.770 40 0 IHABHN COc1cccc(-c2noc(CNC(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)n2)c1 ZINC000222595811 557358223 /nfs/dbraw/zinc/35/82/23/557358223.db2.gz MXWWWXSDJQHWHU-GOSISDBHSA-N 0 3 440.931 3.927 40 0 IHABHN CCCCOC(=O)c1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000014671968 557449148 /nfs/dbraw/zinc/44/91/48/557449148.db2.gz DPBZWGLQQUZBTA-JOCHJYFZSA-N 0 3 433.508 3.589 40 0 IHABHN CSc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1NC(C)=O ZINC000224853181 557659102 /nfs/dbraw/zinc/65/91/02/557659102.db2.gz AUUDWTBRRATJOC-UHFFFAOYSA-N 0 3 447.626 3.831 40 0 IHABHN CCOC(=O)c1cnc(NC(=S)NCCNc2cc(C)nc3ccc(C)cc32)nc1C ZINC000225225561 557702390 /nfs/dbraw/zinc/70/23/90/557702390.db2.gz OJLCVNDAIHRJLL-UHFFFAOYSA-N 0 3 438.557 3.525 40 0 IHABHN O[C@@]1(CN2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)CC[C@@H](c2ccccc2)CC1 ZINC000585285892 568618887 /nfs/dbraw/zinc/61/88/87/568618887.db2.gz DPAWFQAHMBFKQQ-IEZKXTBUSA-N 0 3 445.987 3.871 40 0 IHABHN CC(=O)N[C@]12CN(C(=O)C3(c4ccccc4)CCCC3)[C@H](c3ccccc3)[C@H]1CCN(C)C2 ZINC000257245921 568686331 /nfs/dbraw/zinc/68/63/31/568686331.db2.gz IRQUXZZLEBQMPO-INNMJMHTSA-N 0 3 445.607 3.909 40 0 IHABHN COc1cccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)CCCN4CCCC4=O)C3)c2)c1 ZINC000257296730 568709851 /nfs/dbraw/zinc/70/98/51/568709851.db2.gz REDSHVOYANEFLB-LJQANCHMSA-N 0 3 436.556 3.861 40 0 IHABHN CN(CCc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2F)C[C@H]1NC(=O)OC(C)(C)C ZINC000257318723 568719488 /nfs/dbraw/zinc/71/94/88/568719488.db2.gz VPBXHZBUSOBEOQ-LGKPFJOYSA-N 0 3 444.547 3.774 40 0 IHABHN Cc1nc2cc([C@@H]3CCN(Cc4ccccn4)C3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257327055 568723024 /nfs/dbraw/zinc/72/30/24/568723024.db2.gz WZSDXGLUIQKFQZ-LJQANCHMSA-N 0 3 434.588 3.578 40 0 IHABHN COc1ccc(Nc2cc(C)nc([C@H]3CCN(S(=O)(=O)c4c(C)noc4C)C3)c2)cc1 ZINC000257344573 568730507 /nfs/dbraw/zinc/73/05/07/568730507.db2.gz ZXWHDCYJWCRJDS-KRWDZBQOSA-N 0 3 442.541 3.925 40 0 IHABHN O[C@@H](COCCOc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026781627 568739147 /nfs/dbraw/zinc/73/91/47/568739147.db2.gz DHRGVKAFAYGIMT-AREMUKBSSA-N 0 3 446.591 3.850 40 0 IHABHN Cc1cccc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccc2)C3=O)c1 ZINC000306128265 568765228 /nfs/dbraw/zinc/76/52/28/568765228.db2.gz GVRFGIBNRRLICG-BDYUSTAISA-N 0 3 427.548 3.787 40 0 IHABHN Cc1ccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCN(C)C)n2)cc1 ZINC000328980789 568808377 /nfs/dbraw/zinc/80/83/77/568808377.db2.gz GPHRWVFLYGFXFG-UHFFFAOYSA-N 0 3 445.489 3.780 40 0 IHABHN CN(C)CCNc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(C(F)(F)F)n1 ZINC000329049572 568810352 /nfs/dbraw/zinc/81/03/52/568810352.db2.gz UQIURIYMPHCXLC-UHFFFAOYSA-N 0 3 443.779 3.608 40 0 IHABHN COc1ncc([C@]2(O)CCC[C@H]3CN(Cc4ccccc4C(F)(F)F)C[C@H]32)c(OC)n1 ZINC000247908116 569206353 /nfs/dbraw/zinc/20/63/53/569206353.db2.gz XSBMWMRBOQHPKG-RRMPHLOHSA-N 0 3 437.462 3.632 40 0 IHABHN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030942313 569243423 /nfs/dbraw/zinc/24/34/23/569243423.db2.gz SJZLVFSKRGLGTE-FPOVZHCZSA-N 0 3 439.531 3.585 40 0 IHABHN CC[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856963 569249282 /nfs/dbraw/zinc/24/92/82/569249282.db2.gz HIIKNYLMPWCYKL-UGKGYDQZSA-N 0 3 432.561 3.709 40 0 IHABHN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000252516056 569288357 /nfs/dbraw/zinc/28/83/57/569288357.db2.gz PTUHUWYTHYZGFD-PQNGQFLHSA-N 0 3 444.597 3.719 40 0 IHABHN Cc1cc(Br)ccc1Nc1cc(-c2ccncc2)nc(NCCN(C)C)n1 ZINC000329051928 569583217 /nfs/dbraw/zinc/58/32/17/569583217.db2.gz UZPURGVDUBXEBL-UHFFFAOYSA-N 0 3 427.350 4.327 40 0 IHABHN COc1ccc(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccco3)nn2C)cc1 ZINC000008635851 291371421 /nfs/dbraw/zinc/37/14/21/291371421.db2.gz VHURDPOJLIYMTI-HQRMLTQVSA-N 0 3 435.528 3.688 40 0 biogenic,in-vitro IHABHN COc1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccc(F)cc3)nn2C)cc1 ZINC000012602109 523710098 /nfs/dbraw/zinc/71/00/98/523710098.db2.gz XNQKIMQOJHGNIR-WPYKKVEZSA-N 0 3 448.542 3.843 40 0 biogenic,in-vitro IHABHN COCCOc1cccc(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 ZINC000012182140 524054501 /nfs/dbraw/zinc/05/45/01/524054501.db2.gz LVYZGHCRMQQGJJ-NZSAHSFTSA-N 0 3 439.482 3.503 40 0 IHABHN C[C@@H](C(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1)N1CCCC1 ZINC000019078263 556695277 /nfs/dbraw/zinc/69/52/77/556695277.db2.gz MSXGFFFIKZDDKB-XWTMOSNGSA-N 0 3 437.579 3.894 40 0 IHABHN CCOC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000036083055 556713595 /nfs/dbraw/zinc/71/35/95/556713595.db2.gz DMTOWFDANFMRDL-ZRBLBEILSA-N 0 3 442.471 3.914 40 0 IHABHN Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(N4CCCC4=O)cc3)CC1)O2 ZINC000019219253 556713704 /nfs/dbraw/zinc/71/37/04/556713704.db2.gz MMWNFJZEJZJHQC-PKTZIBPZSA-N 0 3 436.552 3.506 40 0 IHABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)c(OC)c1 ZINC000013776196 556730997 /nfs/dbraw/zinc/73/09/97/556730997.db2.gz UBZIBLXCIWQIKU-VABKMULXSA-N 0 3 448.450 3.894 40 0 IHABHN CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)CN4CCC(C)CC4)C3)cc2n1 ZINC000019496856 556769191 /nfs/dbraw/zinc/76/91/91/556769191.db2.gz ULRNNDPBHBSIAY-MRXNPFEDSA-N 0 3 437.510 3.919 40 0 IHABHN CCOc1ncc(C2(O)CCN(Cc3ccc4cc(OC)ccc4c3)CC2)c(OCC)n1 ZINC000019531737 556792348 /nfs/dbraw/zinc/79/23/48/556792348.db2.gz QSXFCFXNBUXAEJ-UHFFFAOYSA-N 0 3 437.540 3.919 40 0 IHABHN CN(C)c1cc([C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)nc(-c2ccncc2)n1 ZINC000019584580 556821877 /nfs/dbraw/zinc/82/18/77/556821877.db2.gz GKYOTTMILXCMDQ-HXUWFJFHSA-N 0 3 431.540 3.755 40 0 IHABHN Cc1ccc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCCc3ccccc3)cc12 ZINC000006321786 556833203 /nfs/dbraw/zinc/83/32/03/556833203.db2.gz NOMWAMGVLDIMTB-UHFFFAOYSA-N 0 3 436.625 3.626 40 0 IHABHN CN(C)c1ncc(-c2cccc(C(N)=O)c2)c(C2CCN(Cc3ccccc3F)CC2)n1 ZINC000019694109 556849503 /nfs/dbraw/zinc/84/95/03/556849503.db2.gz HZWJNVGXJQDKNI-UHFFFAOYSA-N 0 3 433.531 3.827 40 0 IHABHN CC(=O)N1C[C@H](C(=O)N(C)C)[C@@H](c2ccc(CN(C)C/C(C)=C/c3ccccc3)cc2)C1 ZINC000019699187 556858342 /nfs/dbraw/zinc/85/83/42/556858342.db2.gz MXARSUUUAVICPV-UNCOXZGGSA-N 0 3 433.596 3.872 40 0 IHABHN COc1ccc(CN2CCC(c3cc(C(F)(F)F)c4c(N)nc(N)nc4n3)CC2)cc1 ZINC000019743020 556887236 /nfs/dbraw/zinc/88/72/36/556887236.db2.gz NFQFRMZPSSGNRR-UHFFFAOYSA-N 0 3 432.450 3.596 40 0 IHABHN CS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3cc4ccccc4o3)CC2)o1 ZINC000072344924 556916183 /nfs/dbraw/zinc/91/61/83/556916183.db2.gz FIJUTDNGSSMPOT-IBGZPJMESA-N 0 3 444.557 3.682 40 0 IHABHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1cc(Cl)ccc1OC ZINC000019819071 556921770 /nfs/dbraw/zinc/92/17/70/556921770.db2.gz DZMGJMQMTGAYTQ-INIZCTEOSA-N 0 3 428.872 3.787 40 0 IHABHN CCN(CC)S(=O)(=O)N1CCC[C@H](c2cc(Nc3cccc(OC)c3)cc(C)n2)C1 ZINC000072352074 556923092 /nfs/dbraw/zinc/92/30/92/556923092.db2.gz WGZTYWWRYSPXMZ-SFHVURJKSA-N 0 3 432.590 3.908 40 0 IHABHN COc1cc2c(cc1CN1CCC[C@@H](c3ccc(Nc4cnccn4)cn3)C1)OCCO2 ZINC000072353461 556926822 /nfs/dbraw/zinc/92/68/22/556926822.db2.gz BUSPTUGPFFAAFU-QGZVFWFLSA-N 0 3 433.512 3.775 40 0 IHABHN Cc1ccnc(Nc2cc([C@@H]3CCCN(C(=O)[C@@H](N)Cc4ccc(F)cc4)C3)nc(C)n2)c1 ZINC000072355959 556930475 /nfs/dbraw/zinc/93/04/75/556930475.db2.gz WCOYFRJEUBASSA-CTNGQTDRSA-N 0 3 448.546 3.647 40 0 IHABHN CN(C)c1ncc(CN2CC[C@@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)cn1 ZINC000072371488 556939084 /nfs/dbraw/zinc/93/90/84/556939084.db2.gz QLIBHXVORAXFIP-QGZVFWFLSA-N 0 3 426.952 3.530 40 0 IHABHN CN(C)c1ncc(CN2CC[C@@H](c3cc(CCOc4ccc(Cl)cc4)n[nH]3)C2)cn1 ZINC000072371488 556939087 /nfs/dbraw/zinc/93/90/87/556939087.db2.gz QLIBHXVORAXFIP-QGZVFWFLSA-N 0 3 426.952 3.530 40 0 IHABHN C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)[C@@H](c4ccccc4)C4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000072398718 556970651 /nfs/dbraw/zinc/97/06/51/556970651.db2.gz NTNGDOTZDZICGB-QPPBQGQZSA-N 0 3 448.611 3.828 40 0 IHABHN C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)[C@@H](c4ccccc4)C4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000072398718 556970653 /nfs/dbraw/zinc/97/06/53/556970653.db2.gz NTNGDOTZDZICGB-QPPBQGQZSA-N 0 3 448.611 3.828 40 0 IHABHN CCCC(=O)N1CCc2nc(C3CC[NH+](Cc4ccc(CCC)s4)CC3)[n-]c(=O)c2C1 ZINC000072398997 556971275 /nfs/dbraw/zinc/97/12/75/556971275.db2.gz IVKVTJGIGGLSHO-UHFFFAOYSA-N 0 3 442.629 3.848 40 0 IHABHN Cc1ccc2ncc(CN3CCC4(CC(NC(=O)c5nnsc5C(C)C)C4)CC3)n2c1 ZINC000585103881 557036328 /nfs/dbraw/zinc/03/63/28/557036328.db2.gz SVSHFAYJDBANCT-UHFFFAOYSA-N 0 3 438.601 3.792 40 0 IHABHN O=C(NCCN1CCCC1)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 ZINC000096146532 557176705 /nfs/dbraw/zinc/17/67/05/557176705.db2.gz JWYMMTVPCAYSAL-UHFFFAOYSA-N 0 3 428.540 3.611 40 0 IHABHN COc1ccc([C@@H]2CN(Cc3ccccc3OCCN3CCCC3)CCN2C(C)=O)cc1 ZINC000585261970 557198063 /nfs/dbraw/zinc/19/80/63/557198063.db2.gz XAUJWOFZBRXQRK-VWLOTQADSA-N 0 3 437.584 3.575 40 0 IHABHN CN(C)CCOc1ccc(C(=O)N2CCO[C@H](c3cccc(Cc4ccccc4)n3)C2)cc1 ZINC000585260854 557199414 /nfs/dbraw/zinc/19/94/14/557199414.db2.gz SRPFSGABTCCVOV-SANMLTNESA-N 0 3 445.563 3.827 40 0 IHABHN CN(Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000585262442 557202211 /nfs/dbraw/zinc/20/22/11/557202211.db2.gz LKURCLOSZKWSOK-LUKWVAJMSA-N 0 3 426.557 3.983 40 0 IHABHN CC(=O)NCCCOc1ccc(CN2CCC[C@](O)(COc3ccccc3F)CC2)cc1 ZINC000585281119 557220790 /nfs/dbraw/zinc/22/07/90/557220790.db2.gz WJBHIVOMHHYCHX-RUZDIDTESA-N 0 3 444.547 3.527 40 0 IHABHN COc1ccc(CN2CCC([C@@H](NC(=O)CC(C)C)c3ccccn3)CC2)cc1CO ZINC000057774001 557263671 /nfs/dbraw/zinc/26/36/71/557263671.db2.gz ZRNQKGITRVAFIG-RUZDIDTESA-N 0 3 425.573 3.698 40 0 IHABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccncc4)[C@H]3C2=O)cc1 ZINC000101123764 557339750 /nfs/dbraw/zinc/33/97/50/557339750.db2.gz ZZEGYUHGFNNAND-VJBWXMMDSA-N 0 3 429.476 3.922 40 0 IHABHN CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c(Cl)c1 ZINC000224836140 557656947 /nfs/dbraw/zinc/65/69/47/557656947.db2.gz AQCQEGYLEUONMY-UHFFFAOYSA-N 0 3 435.977 3.627 40 0 IHABHN COC(=O)c1cccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)c1C ZINC000225772838 557775630 /nfs/dbraw/zinc/77/56/30/557775630.db2.gz QJTQFFLJSNGFIF-UHFFFAOYSA-N 0 3 427.570 3.741 40 0 IHABHN COc1cc(CN(C)C[C@H](O)COc2ccccc2)ccc1OCCN1CCC(C)CC1 ZINC000585270657 568617354 /nfs/dbraw/zinc/61/73/54/568617354.db2.gz ALCNRXPWHDABGC-QHCPKHFHSA-N 0 3 442.600 3.678 40 0 IHABHN CCc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2ccccc2OCCN(C)C)n1 ZINC000257223055 568675803 /nfs/dbraw/zinc/67/58/03/568675803.db2.gz DVSAXEPAUWRGST-OAQYLSRUSA-N 0 3 433.556 3.747 40 0 IHABHN COc1ccc([C@H]2CN(C(=O)c3ccccc3CN3CCCCC3)CCN2C(C)=O)cc1 ZINC000257224943 568676288 /nfs/dbraw/zinc/67/62/88/568676288.db2.gz FEBAFKMLCIIXBR-RUZDIDTESA-N 0 3 435.568 3.727 40 0 IHABHN COCCOc1ccc(CN2CCC[C@@H](c3n[nH]cc3C(=O)N3CCCCCC3)C2)cc1 ZINC000257241229 568684205 /nfs/dbraw/zinc/68/42/05/568684205.db2.gz HXFKGXAJRHGRLT-OAQYLSRUSA-N 0 3 440.588 3.831 40 0 IHABHN CC(=O)NCCn1nc([C@H]2CCCN(Cc3cccc(OC(C)C)c3)C2)c2cccnc21 ZINC000257317675 568719138 /nfs/dbraw/zinc/71/91/38/568719138.db2.gz VKSPBWNOZLGDLX-NRFANRHFSA-N 0 3 435.572 3.734 40 0 IHABHN COCCN1CC[C@]2(CN(Cc3ccc(Cl)cc3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306125217 568763732 /nfs/dbraw/zinc/76/37/32/568763732.db2.gz CJQSKGUPFAVBAU-NZQKXSOJSA-N 0 3 430.980 3.582 40 0 IHABHN Cc1ccsc1CN1C[C@@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccsc1)C2=O ZINC000306128624 568765555 /nfs/dbraw/zinc/76/55/55/568765555.db2.gz HGHWWYJQVDDHLF-NZQKXSOJSA-N 0 3 439.606 3.910 40 0 IHABHN Cc1nc2c(n1C(C)C)CN(C(=O)c1ccn(C)n1)CC21CCN(Cc2ccccc2)CC1 ZINC000306135592 568769039 /nfs/dbraw/zinc/76/90/39/568769039.db2.gz OVKPLVMPEJXTRT-UHFFFAOYSA-N 0 3 446.599 3.696 40 0 IHABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3cccc(Cl)c3)C[C@H]1C2 ZINC000306137096 568769822 /nfs/dbraw/zinc/76/98/22/568769822.db2.gz QLKXLSXDFOISQZ-HZPDHXFCSA-N 0 3 425.895 3.627 40 0 IHABHN O=C(NCCN1CCCCC1)c1nc([C@@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 ZINC000306141180 568772035 /nfs/dbraw/zinc/77/20/35/568772035.db2.gz VNLUUPZEMPZRKE-QFIPXVFZSA-N 0 3 445.567 3.527 40 0 IHABHN COc1ccc(CN2CCO[C@]3(CN(Cc4cccs4)C[C@H]3c3cccnc3)C2=O)cc1 ZINC000306141389 568772224 /nfs/dbraw/zinc/77/22/24/568772224.db2.gz VUEBYPPTLUMWSP-ZCYQVOJMSA-N 0 3 449.576 3.549 40 0 IHABHN Cc1nc(CN2CC[C@]3(CN(Cc4ccco4)C[C@@H]3c3cn(C(C)C)cn3)C2=O)cs1 ZINC000306145170 568774063 /nfs/dbraw/zinc/77/40/63/568774063.db2.gz ZZYUBXUSCVRKCT-NFBKMPQASA-N 0 3 439.585 3.840 40 0 IHABHN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2)N1CCN2CCC[C@@H]2C1 ZINC000002753674 568789036 /nfs/dbraw/zinc/78/90/36/568789036.db2.gz VLXJAOYICCCTEV-WWGRRREGSA-N 0 3 425.480 3.525 40 0 IHABHN CN(C)CCNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccncc2)n1 ZINC000328995238 568808887 /nfs/dbraw/zinc/80/88/87/568808887.db2.gz JHLKNLQVTQMCQM-UHFFFAOYSA-N 0 3 434.491 3.711 40 0 IHABHN CN(C)CCNc1nc(NCc2cccc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329026207 568809670 /nfs/dbraw/zinc/80/96/70/568809670.db2.gz PKQXUINPASZJPA-UHFFFAOYSA-N 0 3 449.452 3.611 40 0 IHABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 ZINC000009063166 569219767 /nfs/dbraw/zinc/21/97/67/569219767.db2.gz LDJCFQXTCGBWDT-UHFFFAOYSA-N 0 3 441.597 3.630 40 0 IHABHN COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2cccc(C)c2OC)C1 ZINC000019702606 569232294 /nfs/dbraw/zinc/23/22/94/569232294.db2.gz VGBTXVCSKNVYGY-KRWDZBQOSA-N 0 3 439.581 3.979 40 0 IHABHN CCN(CC)CC(=O)N1CCCC[C@@H]1c1ncc(C(=O)Nc2ccc(F)cc2)c(C)n1 ZINC000019764891 569238619 /nfs/dbraw/zinc/23/86/19/569238619.db2.gz CWILYYALEICDGM-HXUWFJFHSA-N 0 3 427.524 3.572 40 0 IHABHN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038870017 569249061 /nfs/dbraw/zinc/24/90/61/569249061.db2.gz SJZLVFSKRGLGTE-PZJWPPBQSA-N 0 3 439.531 3.585 40 0 IHABHN C[C@@H]1[C@H]2C[C@H](O)[C@H]3[C@@H]4C[C@@H](O)[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H]3[C@@H]2CN2C[C@@H](C)CC[C@@H]12 ZINC000070688107 569315456 /nfs/dbraw/zinc/31/54/56/569315456.db2.gz OFBFDCQSKGYUKF-UWVSPIJDSA-N 0 3 431.661 3.534 40 0 biogenic IHABHN COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(Cc2ccccc2)CC1 ZINC000019754128 569328585 /nfs/dbraw/zinc/32/85/85/569328585.db2.gz GCOGACAGCGLHKD-UHFFFAOYSA-N 0 3 432.568 3.813 40 0 IHABHN COCCNC(=O)c1cc([C@@H]2CCN(Cc3ccc(C)cc3OC)C2)nc2ccccc21 ZINC000019761873 569328701 /nfs/dbraw/zinc/32/87/01/569328701.db2.gz BCPPJKACCLRDDR-LJQANCHMSA-N 0 3 433.552 3.918 40 0 IHABHN CCOC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4C)[C@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000008741683 569472981 /nfs/dbraw/zinc/47/29/81/569472981.db2.gz KRTFUMFAYMRUBY-BDTNDASRSA-N 0 3 446.459 3.816 40 0 IHABHN COc1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3cccs3)nn2C)cc1 ZINC000008635428 291370887 /nfs/dbraw/zinc/37/08/87/291370887.db2.gz VHAWEYSFNRAKFC-NSHGMRRFSA-N 0 3 436.581 3.765 40 0 biogenic,in-vitro IHABHN O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000002187498 132248545 /nfs/dbraw/zinc/24/85/45/132248545.db2.gz GHYJIOTZARHDLR-UHFFFAOYSA-N 0 3 431.458 3.904 40 0 IHABHN CC(C)C(=O)N1CCCc2cc([C@@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 ZINC000019085715 519471271 /nfs/dbraw/zinc/47/12/71/519471271.db2.gz ZFEVQEPZBCSIQT-DEOSSOPVSA-N 0 3 440.559 3.778 40 0 IHABHN CN(C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccc(Cl)cc1 ZINC000012710703 521749464 /nfs/dbraw/zinc/74/94/64/521749464.db2.gz OXWPWWPYKBTPMQ-UHFFFAOYSA-N 0 3 442.903 3.506 40 0 IHABHN COc1ccc(CN2[C@@H]3CC[C@H]2CC(NC(=O)c2cc(OC)c(OC)c(OC)c2)C3)cc1 ZINC000012480693 524043833 /nfs/dbraw/zinc/04/38/33/524043833.db2.gz RBTQOQLJMOZXDS-IHWFROFDSA-N 0 3 440.540 3.646 40 0 IHABHN COCCOc1cccc(CN2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 ZINC000012182145 524054380 /nfs/dbraw/zinc/05/43/80/524054380.db2.gz LVYZGHCRMQQGJJ-YTQUADARSA-N 0 3 439.482 3.503 40 0 IHABHN COc1ccc(OC)c(NC(=O)[C@H]2C[C@@H](C(C)C)N[C@]23C(=O)Nc2c3cccc2Cl)c1 ZINC000035828273 524863618 /nfs/dbraw/zinc/86/36/18/524863618.db2.gz FWLWZNRQCPFTRS-DLYSWHJUSA-N 0 3 443.931 3.777 40 0 IHABHN O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000012182841 526802883 /nfs/dbraw/zinc/80/28/83/526802883.db2.gz YUFIVQLRNWVUCL-AGKXRFJRSA-N 0 3 428.577 3.899 40 0 IHABHN O=C(c1ccccc1I)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000408612454 555977820 /nfs/dbraw/zinc/97/78/20/555977820.db2.gz WCWGZMKJSUZPCQ-UHFFFAOYSA-N 0 3 446.332 3.954 40 0 IHABHN COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1OC(=O)C(Cl)(c1ccccc1)c1ccccc1)N2C ZINC000005941837 556070046 /nfs/dbraw/zinc/07/00/46/556070046.db2.gz CBJOUDDJDVEZLS-BQJUDKOJSA-N 0 3 427.928 3.737 40 0 IHABHN CC(C)C(=O)N1CCCc2cc([C@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 ZINC000019085717 556699356 /nfs/dbraw/zinc/69/93/56/556699356.db2.gz ZFEVQEPZBCSIQT-XMMPIXPASA-N 0 3 440.559 3.778 40 0 IHABHN CC(C)C(=O)N1CCC[C@H](c2cc(=O)[n-]c(C3CC[NH+](CC4CCCCC4)CC3)n2)C1 ZINC000019085471 556699391 /nfs/dbraw/zinc/69/93/91/556699391.db2.gz HYENFLRFXVUNSV-NRFANRHFSA-N 0 3 428.621 3.892 40 0 IHABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1OC ZINC000019125168 556702911 /nfs/dbraw/zinc/70/29/11/556702911.db2.gz DEMQNPMNPGBYCA-NHCUHLMSSA-N 0 3 427.541 3.705 40 0 IHABHN Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(NC(=O)C4CC4)cc3)CC1)O2 ZINC000019219267 556713653 /nfs/dbraw/zinc/71/36/53/556713653.db2.gz CWBYIGABAUUDPH-GOTSBHOMSA-N 0 3 436.552 3.728 40 0 IHABHN CN(Cc1ccc(OCCF)cc1)C[C@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000257296289 556716767 /nfs/dbraw/zinc/71/67/67/556716767.db2.gz RCBSJURUGAFUIU-INIZCTEOSA-N 0 3 425.426 3.896 40 0 IHABHN C[C@H]1Cc2cc([C@H](O)CN3CC=C(c4ccc(Cl)cc4)CC3)ccc2N1S(C)(=O)=O ZINC000019497850 556770276 /nfs/dbraw/zinc/77/02/76/556770276.db2.gz PYPHQEWBAGWPNV-QMHKHESXSA-N 0 3 447.000 3.873 40 0 IHABHN Cc1c(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccc(F)cc2)CN3C(=O)c2ccccc2)cnn1C ZINC000019553747 556797271 /nfs/dbraw/zinc/79/72/71/556797271.db2.gz OJSSIWWAGRWULU-SDHOMARFSA-N 0 3 432.543 3.998 40 0 IHABHN COc1cccc(CN2CCC[C@H](c3cc(N)n4nc(-c5ccco5)cc4n3)C2)c1OC ZINC000019567780 556807909 /nfs/dbraw/zinc/80/79/09/556807909.db2.gz PMNCYIUJZCJHSQ-INIZCTEOSA-N 0 3 433.512 3.968 40 0 IHABHN COc1cccc(CN2CCC[C@@H](c3cc(N)n4nc(-c5ccco5)cc4n3)C2)c1OC ZINC000019567777 556807997 /nfs/dbraw/zinc/80/79/97/556807997.db2.gz PMNCYIUJZCJHSQ-MRXNPFEDSA-N 0 3 433.512 3.968 40 0 IHABHN COc1ccc2c(c1)c([C@@H](O)CN1CCC3(CC1)C[C@@H](O)c1ccccc1O3)c(C)n2C ZINC000019581537 556819634 /nfs/dbraw/zinc/81/96/34/556819634.db2.gz LWWKYMNXUATLNO-PKTZIBPZSA-N 0 3 436.552 3.879 40 0 IHABHN Cc1cc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCCc3ccccc3)cc2c1 ZINC000006300344 556831832 /nfs/dbraw/zinc/83/18/32/556831832.db2.gz TXEBCRADBKQLQE-UHFFFAOYSA-N 0 3 436.625 3.626 40 0 IHABHN CC[C@@H](C(=O)N1CCC(c2nc(N(C)C)ncc2-c2ccc(F)cc2)CC1)N1CCCC1 ZINC000019695285 556851955 /nfs/dbraw/zinc/85/19/55/556851955.db2.gz QRFRFIDOIMOUPE-QFIPXVFZSA-N 0 3 439.579 3.929 40 0 IHABHN CN(C)CCNC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)CC2CCCC2)CCO1 ZINC000019696215 556853300 /nfs/dbraw/zinc/85/33/00/556853300.db2.gz XKPWGZKDSMIJHY-LJQANCHMSA-N 0 3 443.613 3.673 40 0 IHABHN Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@@H]4CCCN(C5CCOCC5)C4)nc32)c1 ZINC000019741578 556884193 /nfs/dbraw/zinc/88/41/93/556884193.db2.gz JKSASOMXEALUGA-JOCHJYFZSA-N 0 3 448.611 3.974 40 0 IHABHN CC(C)c1nccn1CC(=O)N1CC[C@@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 ZINC000072371688 556940128 /nfs/dbraw/zinc/94/01/28/556940128.db2.gz OZYWRZHZQHAMKV-MRXNPFEDSA-N 0 3 443.498 3.645 40 0 IHABHN CNc1cc(Nc2nccc([C@@H]3CCCN(Cc4ccc5ncccc5c4)C3)n2)ncn1 ZINC000072377990 556956676 /nfs/dbraw/zinc/95/66/76/556956676.db2.gz DUZJLENHACXCGT-LJQANCHMSA-N 0 3 426.528 3.980 40 0 IHABHN CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccc(OC)c(C)c4C)C[C@H]32)c(OCC)n1 ZINC000072392653 556964014 /nfs/dbraw/zinc/96/40/14/556964014.db2.gz UHNAJWAQCBBFMO-PIBDYAPNSA-N 0 3 441.572 3.629 40 0 IHABHN CN1CCN(CCC(=O)N2CC3(CCOCC3)c3cc(-c4ccc(F)cc4)ccc32)CC1 ZINC000585105920 557039176 /nfs/dbraw/zinc/03/91/76/557039176.db2.gz ZCPDAZXMINCIMA-UHFFFAOYSA-N 0 3 437.559 3.525 40 0 IHABHN CN(C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)c3cccc(F)c3)CC2)c2ccccc21 ZINC000096052888 557166045 /nfs/dbraw/zinc/16/60/45/557166045.db2.gz WFMUJKDFZOVHFM-FQEVSTJZSA-N 0 3 437.559 3.555 40 0 IHABHN CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1CN(Cc1ccc(F)cc1)CCC2 ZINC000096056081 557166979 /nfs/dbraw/zinc/16/69/79/557166979.db2.gz VPDBVYNEWSZUHS-OFVILXPXSA-N 0 3 425.548 3.806 40 0 IHABHN CN(C)CCOc1ccc(C(=O)N2CCO[C@@H](c3cccc(Cc4ccccc4)n3)C2)cc1 ZINC000585260853 557193557 /nfs/dbraw/zinc/19/35/57/557193557.db2.gz SRPFSGABTCCVOV-AREMUKBSSA-N 0 3 445.563 3.827 40 0 IHABHN CCCc1cnc(Nc2cc(C)nc(C3CCN(C(=O)[C@@H]4CCCCN4)CC3)n2)s1 ZINC000585263506 557204066 /nfs/dbraw/zinc/20/40/66/557204066.db2.gz OXAXQMOOEQQICC-SFHVURJKSA-N 0 3 428.606 3.786 40 0 IHABHN COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000100673308 557269088 /nfs/dbraw/zinc/26/90/88/557269088.db2.gz APARKEVXSWZVIP-VSKRKVRLSA-N 0 3 446.434 3.663 40 0 IHABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc(Br)cc3)CC1)C[C@H]2O ZINC000013998241 557402636 /nfs/dbraw/zinc/40/26/36/557402636.db2.gz WFMHTROHQNRTAM-WOJBJXKFSA-N 0 3 448.357 3.842 40 0 IHABHN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(Br)cc3)CC1)O2 ZINC000013998249 557402967 /nfs/dbraw/zinc/40/29/67/557402967.db2.gz NZSQSJHSOGLQLC-WOJBJXKFSA-N 0 3 448.357 3.842 40 0 IHABHN COc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4ccccc4C(F)(F)F)C[C@@H]32)c(OC)n1 ZINC000019594836 557506379 /nfs/dbraw/zinc/50/63/79/557506379.db2.gz XSBMWMRBOQHPKG-FYINFDKHSA-N 0 3 437.462 3.632 40 0 IHABHN CCn1c2ccc(S(=O)(=O)NCc3ccccc3CN3CCCCC3)cc2sc1=O ZINC000224854331 557659088 /nfs/dbraw/zinc/65/90/88/557659088.db2.gz STYBPJJYOKHXRV-UHFFFAOYSA-N 0 3 445.610 3.547 40 0 IHABHN CCOC(=O)[C@@H]1C[C@H]2C(Cl)=C[C@@]13[C@H]1Cc4ccc(OC)c5c4[C@@]3(CCN1C)[C@@]2(C)O5 ZINC000253505139 560037741 /nfs/dbraw/zinc/03/77/41/560037741.db2.gz QFJCSTJNJZNCPB-YCBZQMSSSA-N 0 3 429.944 3.666 40 0 biogenic,in-vitro IHABHN CN(C)CCOc1ccc(C(=O)N2CCC[C@H](c3cccc(Nc4cnccn4)n3)C2)cc1 ZINC000257200304 568665122 /nfs/dbraw/zinc/66/51/22/568665122.db2.gz ACUWYLRZFITBRR-FQEVSTJZSA-N 0 3 446.555 3.575 40 0 IHABHN COc1cccc2cc(CN3CC[C@H](c4nc(N(C)C)ncc4-c4cncnc4)C3)oc21 ZINC000257211412 568670280 /nfs/dbraw/zinc/67/02/80/568670280.db2.gz BYTYBYOAXVRFKM-KRWDZBQOSA-N 0 3 430.512 3.744 40 0 IHABHN COc1ccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)CCn4nc(C)nc4C)C3)c2)cc1 ZINC000257229602 568678701 /nfs/dbraw/zinc/67/87/01/568678701.db2.gz FYSJLDWFRYPORO-LJQANCHMSA-N 0 3 434.544 3.757 40 0 IHABHN c1cc2c(C[C@H]3COCCN(Cc4ccccc4OCc4ccccn4)C3)cccn2n1 ZINC000257242069 568684495 /nfs/dbraw/zinc/68/44/95/568684495.db2.gz IAYDBXUTUSFYJP-OAQYLSRUSA-N 0 3 428.536 3.999 40 0 IHABHN CNc1nc([C@@H]2CCN(Cc3cccc(OC4CCCC4)c3)C2)nc2c1CN(C(C)=O)CC2 ZINC000257262785 568694454 /nfs/dbraw/zinc/69/44/54/568694454.db2.gz LMXBAVJPTIFOBR-HXUWFJFHSA-N 0 3 449.599 3.734 40 0 IHABHN CN1CCC(NC(=O)C2(Cc3cccc(-c4ccnc(Cl)c4)c3)CCOCC2)CC1 ZINC000257314692 568717387 /nfs/dbraw/zinc/71/73/87/568717387.db2.gz UYBVZULBPPTWRG-UHFFFAOYSA-N 0 3 427.976 3.952 40 0 IHABHN COc1ccc(CN2CCC[C@@H]([C@](O)(CNC(=O)C(C)(C)C)c3ccccn3)C2)c(C)c1 ZINC000257318745 568719550 /nfs/dbraw/zinc/71/95/50/568719550.db2.gz VPFAOUPANAXFAV-QFQXNSOFSA-N 0 3 439.600 3.661 40 0 IHABHN CSCC[C@H](N)C(=O)N1CC[C@H]2O[C@H]3c4cc(Cl)ccc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257329039 568723901 /nfs/dbraw/zinc/72/39/01/568723901.db2.gz XICXYSHDEOPNHC-BIJUBFLFSA-N 0 3 439.021 3.886 40 0 IHABHN Cc1nc2cc([C@H]3CCN(Cc4cccnc4)C3)nn2c(C)c1CCC(=O)N1CCCCC1 ZINC000257334593 568726345 /nfs/dbraw/zinc/72/63/45/568726345.db2.gz YGPKSMSPIOOIOW-QFIPXVFZSA-N 0 3 446.599 3.676 40 0 IHABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218631994 568761863 /nfs/dbraw/zinc/76/18/63/568761863.db2.gz UGWFIKWKIQAQFF-WFXMLNOXSA-N 0 3 436.961 3.502 40 0 IHABHN O=C(c1ccco1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 ZINC000306124628 568763230 /nfs/dbraw/zinc/76/32/30/568763230.db2.gz BVACCMJUQYVZAX-UHFFFAOYSA-N 0 3 432.524 3.763 40 0 IHABHN COc1ccc2ccccc2c1CN1CCOC[C@]2(CC[C@H](CNc3ncccn3)O2)C1 ZINC000306137410 568769866 /nfs/dbraw/zinc/76/98/66/568769866.db2.gz QVOHVFCEAMQSRR-NLFFAJNJSA-N 0 3 434.540 3.501 40 0 IHABHN CC(C)c1ccc(CN2CCOC[C@@]3(CC[C@H](CNC(=O)C4CC(F)(F)C4)O3)C2)cc1 ZINC000306143272 568773240 /nfs/dbraw/zinc/77/32/40/568773240.db2.gz XXPPYPDFKLTGOS-FYYLOGMGSA-N 0 3 436.543 3.722 40 0 IHABHN CN(C)CCNc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(C2CC2)n1 ZINC000329067289 568811021 /nfs/dbraw/zinc/81/10/21/568811021.db2.gz YHKHPCUXHJHXDP-UHFFFAOYSA-N 0 3 433.400 3.953 40 0 IHABHN Cc1ccc(CN2CCC(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)CC2)cc1 ZINC000009063176 569219829 /nfs/dbraw/zinc/21/98/29/569219829.db2.gz NXRGMJIBYHGYQC-JOCHJYFZSA-N 0 3 435.568 3.755 40 0 IHABHN CCOC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000012017246 569303543 /nfs/dbraw/zinc/30/35/43/569303543.db2.gz DMTOWFDANFMRDL-VABKMULXSA-N 0 3 442.471 3.914 40 0 IHABHN COc1ccc(C[C@@H]2C[C@@H]3NC(=O)CCCC[C@H]3N2Cc2c(OC)cccc2OC)cc1 ZINC000019712115 569327678 /nfs/dbraw/zinc/32/76/78/569327678.db2.gz KERDSZUIDFUNMO-WTIAFYNJSA-N 0 3 438.568 3.957 40 0 IHABHN CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218648447 569459032 /nfs/dbraw/zinc/45/90/32/569459032.db2.gz PTUHUWYTHYZGFD-IMSXRSKXSA-N 0 3 444.597 3.719 40 0 IHABHN CC(C)C[C@@H]1N[C@H](C(=O)NCc2ccco2)Cc2cn(Cc3nccn3C)c3cccc1c23 ZINC000049171762 291365281 /nfs/dbraw/zinc/36/52/81/291365281.db2.gz JCPMTRDJHCGCDN-VXKWHMMOSA-N 0 3 445.567 3.934 40 0 biogenic,in-vitro IHABHN COC[C@H]1CCCN1Cc1nc(C2(O)CCN(C3CCC(F)(F)CC3)CC2)cs1 ZINC000225423525 291368790 /nfs/dbraw/zinc/36/87/90/291368790.db2.gz VXOPUNQWUYUTEL-QGZVFWFLSA-N 0 3 429.577 3.615 40 0 biogenic,in-vitro IHABHN COc1ccc(CNC[C@H]2O[C@H](Cc3cc(-c4ccc(OC)cc4)on3)CC[C@@H]2O)cc1 ZINC000077263308 291371103 /nfs/dbraw/zinc/37/11/03/291371103.db2.gz CYBWPIUPVOYFFD-SONWIMMPSA-N 0 3 438.524 3.600 40 0 biogenic,in-vitro IHABHN Cc1c(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c(=O)n(-c2ccccc2)n1C ZINC000038850132 556624502 /nfs/dbraw/zinc/62/45/02/556624502.db2.gz LWAXTEGMRDHXLD-LJQANCHMSA-N 0 3 438.959 3.989 40 0 IHABHN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c(OC)c1 ZINC000013513339 556667259 /nfs/dbraw/zinc/66/72/59/556667259.db2.gz MURCILWVRZTRIQ-VABKMULXSA-N 0 3 448.450 3.894 40 0 IHABHN CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856961 556672570 /nfs/dbraw/zinc/67/25/70/556672570.db2.gz HIIKNYLMPWCYKL-KNQAVFIVSA-N 0 3 432.561 3.709 40 0 IHABHN CC[C@@H](NC(=O)C1CCN(Cc2ccc(C)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856976 556672814 /nfs/dbraw/zinc/67/28/14/556672814.db2.gz HHACRKPUAAZAHP-HSZRJFAPSA-N 0 3 428.598 3.878 40 0 IHABHN CC(=O)Oc1ccc(CN2CCC[C@@H](c3cc(N)n4nc(-c5ccco5)cc4n3)C2)cc1 ZINC000019023061 556694462 /nfs/dbraw/zinc/69/44/62/556694462.db2.gz TXBFYCSYVOZTJO-GOSISDBHSA-N 0 3 431.496 3.876 40 0 IHABHN COc1cccc(C(=O)N2CCCC[C@H]3CN(Cc4c[nH]nc4C(C)(C)C)C[C@H]32)c1OC ZINC000019083505 556697899 /nfs/dbraw/zinc/69/78/99/556697899.db2.gz KZZZLGVZMAGYGA-FXAWDEMLSA-N 0 3 440.588 3.851 40 0 IHABHN Cc1cc2ccccc2n2c(=O)n(CCNC(=O)c3ccc(CN(C(C)C)C(C)C)o3)nc12 ZINC000019127014 556703522 /nfs/dbraw/zinc/70/35/22/556703522.db2.gz ONHPYYHNODWAAR-UHFFFAOYSA-N 0 3 449.555 3.599 40 0 IHABHN Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(N4CCCC4=O)cc3)CC1)O2 ZINC000019219249 556713691 /nfs/dbraw/zinc/71/36/91/556713691.db2.gz MMWNFJZEJZJHQC-DHIUTWEWSA-N 0 3 436.552 3.506 40 0 IHABHN CCOc1ccc(NC(=S)N(CCN(C)C)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 ZINC000000880604 556732328 /nfs/dbraw/zinc/73/23/28/556732328.db2.gz YIEURNYHDLPFBM-UHFFFAOYSA-N 0 3 438.597 3.996 40 0 IHABHN O=C(c1ccccc1F)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019347545 556743090 /nfs/dbraw/zinc/74/30/90/556743090.db2.gz LEFSQZZDIARJCO-QFIPXVFZSA-N 0 3 438.547 3.825 40 0 IHABHN O=C(c1ccccc1F)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019347545 556743093 /nfs/dbraw/zinc/74/30/93/556743093.db2.gz LEFSQZZDIARJCO-QFIPXVFZSA-N 0 3 438.547 3.825 40 0 IHABHN COc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3c3nc4c(c(=O)[n-]3)CC[N@@H+](C(C)C)C4)cc21 ZINC000019448353 556757727 /nfs/dbraw/zinc/75/77/27/556757727.db2.gz UNYNQPLFCAAEGP-OAQYLSRUSA-N 0 3 449.555 3.806 40 0 IHABHN COc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3c3nc4c(c(=O)[n-]3)CC[N@H+](C(C)C)C4)cc21 ZINC000019448353 556757732 /nfs/dbraw/zinc/75/77/32/556757732.db2.gz UNYNQPLFCAAEGP-OAQYLSRUSA-N 0 3 449.555 3.806 40 0 IHABHN CC(C)c1ccc(C[N@@H+]2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)cc1 ZINC000019453226 556763915 /nfs/dbraw/zinc/76/39/15/556763915.db2.gz YEIHPWDNGDZJLO-OAQYLSRUSA-N 0 3 434.584 3.568 40 0 IHABHN CC(C)c1ccc(C[N@H+]2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)cc1 ZINC000019453226 556763918 /nfs/dbraw/zinc/76/39/18/556763918.db2.gz YEIHPWDNGDZJLO-OAQYLSRUSA-N 0 3 434.584 3.568 40 0 IHABHN CC[C@@H]1CCCCN1CC(=O)NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn32)cc1 ZINC000019500965 556772698 /nfs/dbraw/zinc/77/26/98/556772698.db2.gz KZHVPDKXUJIBJZ-QGZVFWFLSA-N 0 3 446.477 3.691 40 0 IHABHN COc1ccc2c(c1)c([C@@H](O)CN1CCC3(CC1)C[C@H](O)c1ccccc1O3)c(C)n2C ZINC000019581543 556819646 /nfs/dbraw/zinc/81/96/46/556819646.db2.gz LWWKYMNXUATLNO-GOTSBHOMSA-N 0 3 436.552 3.879 40 0 IHABHN Cc1c(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)cnn1Cc1ccccc1 ZINC000072327169 556903519 /nfs/dbraw/zinc/90/35/19/556903519.db2.gz INXYODHQXRDLGI-UHFFFAOYSA-N 0 3 426.568 3.720 40 0 IHABHN C[C@H]1Cc2cc(CN3CCC[C@H]([C@H](NC(=O)[C@@H]4CCCO4)c4ccccn4)C3)ccc2O1 ZINC000072330607 556906992 /nfs/dbraw/zinc/90/69/92/556906992.db2.gz YNDJUFYEHGEVFJ-IYNDAXALSA-N 0 3 435.568 3.654 40 0 IHABHN CC(=O)N1c2ccc([C@@H](O)CN3CCC[C@](O)(c4ccc(F)cc4)CC3)cc2C[C@H]1C ZINC000072343040 556914984 /nfs/dbraw/zinc/91/49/84/556914984.db2.gz JAKBBXJVHXQKSW-HCOMASKESA-N 0 3 426.532 3.530 40 0 IHABHN CCn1cc(CN2CCC[C@H](c3cc(-c4ccc(C(=O)NC)nc4)cc(C)n3)C2)c(C)n1 ZINC000072353683 556927671 /nfs/dbraw/zinc/92/76/71/556927671.db2.gz SBIMAOQKEDNGIV-FQEVSTJZSA-N 0 3 432.572 3.716 40 0 IHABHN CCOc1ccc(CN2CCC[C@H](c3cc(-c4cnc(N)nc4)cc(C)n3)C2)cc1CO ZINC000072353770 556928101 /nfs/dbraw/zinc/92/81/01/556928101.db2.gz FIEDNUVILXPLQC-IBGZPJMESA-N 0 3 433.556 3.700 40 0 IHABHN Cc1ccnc(Nc2cc([C@@H]3CCCN(C(=O)[C@H](N)Cc4ccc(F)cc4)C3)nc(C)n2)c1 ZINC000072355957 556930594 /nfs/dbraw/zinc/93/05/94/556930594.db2.gz WCOYFRJEUBASSA-TZIWHRDSSA-N 0 3 448.546 3.647 40 0 IHABHN COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1Cc1cn(C)nc1C ZINC000072370356 556934629 /nfs/dbraw/zinc/93/46/29/556934629.db2.gz KMCOWUWYSJCHCV-SFHVURJKSA-N 0 3 426.586 3.527 40 0 IHABHN COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1Cc1cn(C)nc1C ZINC000072370559 556935415 /nfs/dbraw/zinc/93/54/15/556935415.db2.gz LBDJBTPINQEPAT-LJQANCHMSA-N 0 3 440.613 3.917 40 0 IHABHN CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)c3ccc(OCCN(C)C)cc3)ccc12 ZINC000072374560 556948505 /nfs/dbraw/zinc/94/85/05/556948505.db2.gz GAQRXDTZKWIFQI-OAQYLSRUSA-N 0 3 436.560 3.696 40 0 IHABHN O=C(CC1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 ZINC000019962126 556955644 /nfs/dbraw/zinc/95/56/44/556955644.db2.gz UOZRNGOPVMSWNC-FQEVSTJZSA-N 0 3 433.418 3.826 40 0 IHABHN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)ccc1O ZINC000102712687 557133099 /nfs/dbraw/zinc/13/30/99/557133099.db2.gz KGEQGIAXPBGPBH-BHIFYINESA-N 0 3 434.423 3.591 40 0 IHABHN CC(=O)N1CCN([C@H]2CC[C@H](c3ccccc3)CC2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585281871 557220151 /nfs/dbraw/zinc/22/01/51/557220151.db2.gz DEUUIUORUBUBPJ-KLJDGLGGSA-N 0 3 436.596 3.995 40 0 IHABHN OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)CN1Cc1ccc(OCC2(O)CCCCC2)cc1 ZINC000585291781 557229278 /nfs/dbraw/zinc/22/92/78/557229278.db2.gz CPZVIPJFOFPFMH-WXFUMESZSA-N 0 3 445.987 3.735 40 0 IHABHN COc1ccccc1[C@H](c1nnnn1CCc1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000022929928 557274272 /nfs/dbraw/zinc/27/42/72/557274272.db2.gz NNSGPIQMVXEMJN-RUZDIDTESA-N 0 3 446.599 3.574 40 0 IHABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccncc4)[C@H]3C2=O)cc1 ZINC000101123766 557339630 /nfs/dbraw/zinc/33/96/30/557339630.db2.gz ZZEGYUHGFNNAND-ZLNRFVROSA-N 0 3 429.476 3.922 40 0 IHABHN CC(=O)N[C@H](C)c1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1 ZINC000019219242 557497882 /nfs/dbraw/zinc/49/78/82/557497882.db2.gz MERJWJWNRNHRHK-DQMJNTIXSA-N 0 3 438.568 3.576 40 0 IHABHN COc1ncc([C@]2(O)CCC[C@H]3CN(Cc4ccccc4C(F)(F)F)C[C@@H]32)c(OC)n1 ZINC000019594839 557506619 /nfs/dbraw/zinc/50/66/19/557506619.db2.gz XSBMWMRBOQHPKG-UQASEVPWSA-N 0 3 437.462 3.632 40 0 IHABHN CCOC(=O)[C@@H]1C[C@H]2C(Cl)=C[C@@]13[C@H]1Cc4ccc(OC)c5c4[C@@]3(CCN1C)[C@]2(C)O5 ZINC000253505128 560037614 /nfs/dbraw/zinc/03/76/14/560037614.db2.gz QFJCSTJNJZNCPB-GUPBOFLPSA-N 0 3 429.944 3.666 40 0 biogenic,in-vitro IHABHN CCOC(=O)[C@H]1C[C@H]2C(Cl)=C[C@@]13[C@H]1Cc4ccc(OC)c5c4[C@@]3(CCN1C)[C@@]2(C)O5 ZINC000253505137 560037686 /nfs/dbraw/zinc/03/76/86/560037686.db2.gz QFJCSTJNJZNCPB-VLXRVRKGSA-N 0 3 429.944 3.666 40 0 biogenic,in-vitro IHABHN CC(C)(C)[C@H]1CC[C@](O)(CN2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)CC1 ZINC000585288250 568619321 /nfs/dbraw/zinc/61/93/21/568619321.db2.gz ZLRCHCBQDRLFJJ-NMNUPHIUSA-N 0 3 425.997 3.750 40 0 IHABHN COc1ccc2[nH]cc(/C=C(/NC(=O)c3ccccc3)C(=O)NCCN3CCCCC3)c2c1 ZINC000254750242 568644863 /nfs/dbraw/zinc/64/48/63/568644863.db2.gz JKAGQBHRBFDLSG-LFVJCYFKSA-N 0 3 446.551 3.550 40 0 IHABHN COc1ccc(Nc2cc(C)nc([C@@H]3CCN(S(=O)(=O)c4c(C)n[nH]c4C)C3)c2)cc1 ZINC000257265303 568695663 /nfs/dbraw/zinc/69/56/63/568695663.db2.gz LYCLMTJOWAHYAI-QGZVFWFLSA-N 0 3 441.557 3.660 40 0 IHABHN COc1ccc2c(c1)[C@H]1OCC3(CCN(C(=O)C4CCN(C)CC4)CC3)C[C@@H]1C(C)(C)O2 ZINC000257305609 568713822 /nfs/dbraw/zinc/71/38/22/568713822.db2.gz SQTJJVHXKAQUGS-JTHBVZDNSA-N 0 3 442.600 3.894 40 0 IHABHN Cc1ccc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccc2)C3=O)s1 ZINC000306123356 568762544 /nfs/dbraw/zinc/76/25/44/568762544.db2.gz AKWSGNDEJDIKAF-ZCYQVOJMSA-N 0 3 433.577 3.849 40 0 IHABHN COc1cccc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccsc2)C3=O)c1 ZINC000306123587 568762833 /nfs/dbraw/zinc/76/28/33/568762833.db2.gz AQXFDUSELITRMN-ZCYQVOJMSA-N 0 3 449.576 3.549 40 0 IHABHN O=C(c1ccoc1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 ZINC000306132139 568767176 /nfs/dbraw/zinc/76/71/76/568767176.db2.gz KZYMUHNULIBKID-UHFFFAOYSA-N 0 3 432.524 3.763 40 0 IHABHN COc1ccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccsc2)C3=O)cc1 ZINC000306134050 568768258 /nfs/dbraw/zinc/76/82/58/568768258.db2.gz NCOCXCUXDLXISR-NOZRDPDXSA-N 0 3 449.576 3.549 40 0 IHABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3cccc(Cl)c3)C[C@@H]1C2 ZINC000306137095 568769939 /nfs/dbraw/zinc/76/99/39/568769939.db2.gz QLKXLSXDFOISQZ-HOTGVXAUSA-N 0 3 425.895 3.627 40 0 IHABHN CC(C)NC(=O)c1nnc2n1C[C@@H]1N(Cc3ccsc3)CC[C@]1(c1ccccc1)CC2 ZINC000306139475 568771290 /nfs/dbraw/zinc/77/12/90/568771290.db2.gz SYFGYOLRUYMCCE-RDPSFJRHSA-N 0 3 435.597 3.637 40 0 IHABHN CN(C)CCNc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2cccnc2)n1 ZINC000329006269 568809058 /nfs/dbraw/zinc/80/90/58/568809058.db2.gz LBRCIWRQCGOSMW-UHFFFAOYSA-N 0 3 436.869 3.772 40 0 IHABHN CN(C)CCNc1nc(NCCc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329071620 568811114 /nfs/dbraw/zinc/81/11/14/568811114.db2.gz ZRSSZXLOGHFXOK-UHFFFAOYSA-N 0 3 445.489 3.514 40 0 IHABHN COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2c[nH]nc2C(C)(C)C)C1 ZINC000019702595 569232197 /nfs/dbraw/zinc/23/21/97/569232197.db2.gz XNPJACGKGKUOBI-HNNXBMFYSA-N 0 3 441.601 3.683 40 0 IHABHN CC(C)CNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(F)cc2)nn1C ZINC000008635449 291365292 /nfs/dbraw/zinc/36/52/92/291365292.db2.gz MXNKGBWAKUHJDX-SXLOBPIMSA-N 0 3 429.609 3.524 40 0 biogenic,in-vitro IHABHN COc1ccc(NC(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)NCCN(C)C)C[C@H]2C(C)C)cc1 ZINC000030880318 291371439 /nfs/dbraw/zinc/37/14/39/291371439.db2.gz CNKHPPDUHIPBLK-JTAQYXEDSA-N 0 3 444.620 3.739 40 0 biogenic,in-vitro IHABHN CCOc1cc(CNCCCSc2nnnn2-c2ccccc2)cc(Cl)c1OC ZINC000022109053 520714788 /nfs/dbraw/zinc/71/47/88/520714788.db2.gz LYYWZVPYEPJMHV-UHFFFAOYSA-N 0 3 433.965 3.995 40 0 IHABHN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000020489322 521900327 /nfs/dbraw/zinc/90/03/27/521900327.db2.gz MEHRDSULEDLDMM-UHFFFAOYSA-N 0 3 426.513 3.975 40 0 IHABHN O=C(CN1CC[C@H]2CCCC[C@@H]2C1)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000012182846 526809334 /nfs/dbraw/zinc/80/93/34/526809334.db2.gz YUFIVQLRNWVUCL-FRTACKCFSA-N 0 3 428.577 3.899 40 0 IHABHN C[C@@H](NCc1cc(Br)c(OCC(N)=O)c(Br)c1)c1ccccc1 ZINC000036612929 556511366 /nfs/dbraw/zinc/51/13/66/556511366.db2.gz GRQAHBWYRPAKGG-LLVKDONJSA-N 0 3 442.151 3.927 40 0 IHABHN COCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030941874 556516191 /nfs/dbraw/zinc/51/61/91/556516191.db2.gz SOMMHUZHFLFPDV-LJQANCHMSA-N 0 3 443.975 3.957 40 0 IHABHN O=C(NCc1cccc(CN2CCOCC2)c1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000038831289 556621696 /nfs/dbraw/zinc/62/16/96/556621696.db2.gz RMGONQXPAVSUMQ-UHFFFAOYSA-N 0 3 442.003 3.701 40 0 IHABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)CC1 ZINC000044844228 556669130 /nfs/dbraw/zinc/66/91/30/556669130.db2.gz GWEWTQVAFRJNAI-UHFFFAOYSA-N 0 3 441.597 3.955 40 0 IHABHN C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857069 556672876 /nfs/dbraw/zinc/67/28/76/556672876.db2.gz ZCLAYDYXWMPHNT-QFBILLFUSA-N 0 3 434.989 3.833 40 0 IHABHN CC(=O)N1CCc2c(nc([C@@H]3CCCN(Cc4ccc(F)cc4)C3)nc2-c2ccncc2)C1 ZINC000019019162 556693097 /nfs/dbraw/zinc/69/30/97/556693097.db2.gz MZLCUPGLGZXOMN-OAQYLSRUSA-N 0 3 445.542 3.962 40 0 IHABHN COc1ccc([C@H]2CN(C(=O)C3(Cc4ccc(F)cc4)CCN(C)CC3)CCN2C)cc1 ZINC000257322294 556704592 /nfs/dbraw/zinc/70/45/92/556704592.db2.gz WFJFXEGAIHNJSQ-XMMPIXPASA-N 0 3 439.575 3.604 40 0 IHABHN COc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCc3c(C)noc3C)cc2)cc1 ZINC000257239509 556710409 /nfs/dbraw/zinc/71/04/09/556710409.db2.gz HPQROAGSTVFLKF-FQEVSTJZSA-N 0 3 426.513 3.751 40 0 IHABHN Cc1nc2cc(NC(=O)CN3[C@H](Cc4ccccc4)C[C@]4(C)NC(=O)CCC[C@H]34)ccc2[nH]1 ZINC000257240682 556710442 /nfs/dbraw/zinc/71/04/42/556710442.db2.gz HUQPJFXQEQHFGA-SEIBCYHCSA-N 0 3 445.567 3.554 40 0 IHABHN Cc1nc2ccc(NC(=O)CN3[C@H](Cc4ccccc4)C[C@]4(C)NC(=O)CCC[C@H]34)cc2[nH]1 ZINC000257240682 556710446 /nfs/dbraw/zinc/71/04/46/556710446.db2.gz HUQPJFXQEQHFGA-SEIBCYHCSA-N 0 3 445.567 3.554 40 0 IHABHN Cc1c2cc(C)ccc2oc1C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CC[N@@H+](C(C)C)C2 ZINC000019220392 556715119 /nfs/dbraw/zinc/71/51/19/556715119.db2.gz OUWWXDZVPLXEGN-FQEVSTJZSA-N 0 3 434.540 3.877 40 0 IHABHN Cc1c2cc(C)ccc2oc1C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CC[N@H+](C(C)C)C2 ZINC000019220392 556715120 /nfs/dbraw/zinc/71/51/20/556715120.db2.gz OUWWXDZVPLXEGN-FQEVSTJZSA-N 0 3 434.540 3.877 40 0 IHABHN COCCOc1cc(CN(C)C[C@H](O)Cn2c(C)c(C)c3ccccc32)ccc1OC ZINC000257297273 556717073 /nfs/dbraw/zinc/71/70/73/556717073.db2.gz RGOISZMBASPTDA-NRFANRHFSA-N 0 3 426.557 3.785 40 0 IHABHN COc1ccc(NC(=S)N(CCN(C)C)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 ZINC000000880636 556732596 /nfs/dbraw/zinc/73/25/96/556732596.db2.gz BHSPQEQRWQEDEC-UHFFFAOYSA-N 0 3 438.597 3.914 40 0 IHABHN O=C(c1ccc(F)cc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCCCC1)CC2 ZINC000019332047 556737088 /nfs/dbraw/zinc/73/70/88/556737088.db2.gz ZYNWWGHOUGCCPE-QFIPXVFZSA-N 0 3 438.547 3.967 40 0 IHABHN O=C(c1ccc(F)cc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCCCC1)CC2 ZINC000019332047 556737090 /nfs/dbraw/zinc/73/70/90/556737090.db2.gz ZYNWWGHOUGCCPE-QFIPXVFZSA-N 0 3 438.547 3.967 40 0 IHABHN CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN(C(=O)c5ccncc5)C4)[n-]c(=O)c3C2)CC1 ZINC000019495968 556768608 /nfs/dbraw/zinc/76/86/08/556768608.db2.gz KOKZUSBRQHRGKO-SYYJFZTOSA-N 0 3 435.572 3.534 40 0 IHABHN CC1CCC([N@H+]2CCc3nc([C@H]4CCCN(C(=O)c5ccncc5)C4)[n-]c(=O)c3C2)CC1 ZINC000019495968 556768612 /nfs/dbraw/zinc/76/86/12/556768612.db2.gz KOKZUSBRQHRGKO-SYYJFZTOSA-N 0 3 435.572 3.534 40 0 IHABHN CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCN(Cc2c(C)nn(C)c2OC)C1 ZINC000019529126 556790569 /nfs/dbraw/zinc/79/05/69/556790569.db2.gz PIVAYBHTRIEVOW-HHHXNRCGSA-N 0 3 446.595 3.975 40 0 IHABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3c(C)n(C)c4ccccc43)CC1)C[C@H]2O ZINC000019581802 556819825 /nfs/dbraw/zinc/81/98/25/556819825.db2.gz VGIPPHQKHBQJPV-DHIUTWEWSA-N 0 3 436.552 3.879 40 0 IHABHN Cn1cnc2ccc(NC(=O)c3ccc([C@@H]4CCCN(Cc5ccccn5)C4)nc3)cc21 ZINC000019706074 556863875 /nfs/dbraw/zinc/86/38/75/556863875.db2.gz TYQQYBGBWATDIK-LJQANCHMSA-N 0 3 426.524 3.995 40 0 IHABHN Cc1nc(C2=CCN(C[C@@H](O)c3ccc4ccccc4c3)CC2)nc(N2CCOCC2)c1C ZINC000072339519 556911652 /nfs/dbraw/zinc/91/16/52/556911652.db2.gz PYVWDAJBPIPGFO-RUZDIDTESA-N 0 3 444.579 3.906 40 0 IHABHN CN(C)c1ncc(CN2CC[C@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)cn1 ZINC000072371487 556939185 /nfs/dbraw/zinc/93/91/85/556939185.db2.gz QLIBHXVORAXFIP-KRWDZBQOSA-N 0 3 426.952 3.530 40 0 IHABHN CN(C)c1ncc(CN2CC[C@H](c3cc(CCOc4ccc(Cl)cc4)n[nH]3)C2)cn1 ZINC000072371487 556939188 /nfs/dbraw/zinc/93/91/88/556939188.db2.gz QLIBHXVORAXFIP-KRWDZBQOSA-N 0 3 426.952 3.530 40 0 IHABHN Cc1ccc([C@H](CNc2cc(-c3ccnc(N4CCOCC4)c3)nc(C)n2)N(C)C)cc1 ZINC000072373251 556945835 /nfs/dbraw/zinc/94/58/35/556945835.db2.gz LUULUBRAQFBKLG-QHCPKHFHSA-N 0 3 432.572 3.707 40 0 IHABHN CN(C)CCOc1ccccc1C(=O)N1CCC[C@@H]1c1cccc(Nc2cnccn2)n1 ZINC000072375581 556951887 /nfs/dbraw/zinc/95/18/87/556951887.db2.gz MBADWGJNPQHZAI-HXUWFJFHSA-N 0 3 432.528 3.533 40 0 IHABHN CNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(Cc2c(C)nn(C)c2OC)C1 ZINC000072391309 556961736 /nfs/dbraw/zinc/96/17/36/556961736.db2.gz GLOGUGHLVIQDRN-MHZLTWQESA-N 0 3 446.595 3.975 40 0 IHABHN O=C(NCCC[NH+]1CCCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020108552 556984218 /nfs/dbraw/zinc/98/42/18/556984218.db2.gz BUVXKTRZUAWKAQ-UHFFFAOYSA-N 0 3 435.977 3.747 40 0 IHABHN Cc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(C3CCCC3)CC2)cc1 ZINC000022929269 557049328 /nfs/dbraw/zinc/04/93/28/557049328.db2.gz GHOBWHARYFVVNU-XMMPIXPASA-N 0 3 434.563 3.819 40 0 IHABHN CCOC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000006577009 557122039 /nfs/dbraw/zinc/12/20/39/557122039.db2.gz RMZWPBIXXJEQBB-NJYVYQBISA-N 0 3 432.432 3.507 40 0 IHABHN CCOC(=O)c1ccc(-c2ccc(CNCCSc3nnnn3-c3ccccc3)o2)cc1 ZINC000022108091 557177553 /nfs/dbraw/zinc/17/75/53/557177553.db2.gz GOPYWFXHZVDWCX-UHFFFAOYSA-N 0 3 449.536 3.981 40 0 IHABHN COC(=O)c1ccc(-c2ccc(CNCCCSc3nnnn3-c3ccccc3)o2)cc1 ZINC000022108438 557177843 /nfs/dbraw/zinc/17/78/43/557177843.db2.gz ZHCLUBKUDBFSSI-UHFFFAOYSA-N 0 3 449.536 3.981 40 0 IHABHN CC(=O)N[C@]12CN(Cc3cc4ccccc4o3)[C@H](c3ccccc3)[C@H]1CN(C(C)=O)CC2 ZINC000585261344 557194781 /nfs/dbraw/zinc/19/47/81/557194781.db2.gz XRRWPWFZPSIWPX-LGPLSSKUSA-N 0 3 431.536 3.733 40 0 IHABHN CN(CCc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)OC(C)(C)C ZINC000585261663 557195066 /nfs/dbraw/zinc/19/50/66/557195066.db2.gz NYLMSUUMROBPHR-LUKWVAJMSA-N 0 3 444.547 3.774 40 0 IHABHN COc1cccc(OC[C@@H](O)CN(C)Cc2ccc(OCc3c(C)noc3C)cc2)c1 ZINC000585270336 557214189 /nfs/dbraw/zinc/21/41/89/557214189.db2.gz VDRJZPJLUPXCCB-FQEVSTJZSA-N 0 3 426.513 3.751 40 0 IHABHN CO[C@@]1(COc2cccc(Cl)c2)COCCN(Cc2ccc(OCCN(C)C)cc2)C1 ZINC000585271725 557216320 /nfs/dbraw/zinc/21/63/20/557216320.db2.gz JKVXVIZZUOYQRK-XMMPIXPASA-N 0 3 448.991 3.577 40 0 IHABHN CC(=O)NCCCOc1ccc(CN2CCC[C@](O)(COc3ccc(C)cc3)CC2)cc1 ZINC000585280592 557220430 /nfs/dbraw/zinc/22/04/30/557220430.db2.gz QHELXABDACZIGA-AREMUKBSSA-N 0 3 440.584 3.696 40 0 IHABHN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2)N1CCN2CCC[C@@H]2C1 ZINC000017094415 557226978 /nfs/dbraw/zinc/22/69/78/557226978.db2.gz VLXJAOYICCCTEV-IOASZLSFSA-N 0 3 425.480 3.525 40 0 IHABHN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2)N1CCN2CCC[C@@H]2C1 ZINC000017094414 557227074 /nfs/dbraw/zinc/22/70/74/557227074.db2.gz VLXJAOYICCCTEV-DVOMOZLQSA-N 0 3 425.480 3.525 40 0 IHABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccccc2Cl)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 ZINC000604382205 557237059 /nfs/dbraw/zinc/23/70/59/557237059.db2.gz KTDIEEDTMGSALL-DAVBRLECSA-N 0 3 441.934 3.626 40 0 biogenic,in-vitro IHABHN CCn1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@H]32)c(=O)c2ccc(C)nc21 ZINC000604403921 557246445 /nfs/dbraw/zinc/24/64/45/557246445.db2.gz DOQURURDRCHPEJ-TYJFDUFHSA-N 0 3 446.595 3.760 40 0 IHABHN COc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000022929138 557277518 /nfs/dbraw/zinc/27/75/18/557277518.db2.gz BBWRCOBWMOERQI-RUZDIDTESA-N 0 3 446.599 3.770 40 0 IHABHN COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4C)[C@@H](c4ccc(C)o4)[C@@H]3C2=O)cc1 ZINC000102914496 557309875 /nfs/dbraw/zinc/30/98/75/557309875.db2.gz OCZMTJMEJFNJHE-FKBYEOEOSA-N 0 3 446.459 3.734 40 0 IHABHN COc1ccc(-c2noc(CNC(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)n2)cc1 ZINC000222595941 557358206 /nfs/dbraw/zinc/35/82/06/557358206.db2.gz HWHVJJIWYIOPAH-GOSISDBHSA-N 0 3 440.931 3.927 40 0 IHABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@H]3C2=O)c(OC)c1 ZINC000101135365 557372118 /nfs/dbraw/zinc/37/21/18/557372118.db2.gz UBZIBLXCIWQIKU-ZLNRFVROSA-N 0 3 448.450 3.894 40 0 IHABHN COc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4ccc(C(F)(F)F)cc4)C[C@@H]32)c(OC)n1 ZINC000019594829 557506237 /nfs/dbraw/zinc/50/62/37/557506237.db2.gz UOMILIRNOLQPER-FYINFDKHSA-N 0 3 437.462 3.632 40 0 IHABHN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000225698073 557766059 /nfs/dbraw/zinc/76/60/59/557766059.db2.gz RPWLSNPNKRIZHP-BWAHOGKJSA-N 0 3 443.547 3.924 40 0 IHABHN COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c2ccccc2O1 ZINC000225904380 557790008 /nfs/dbraw/zinc/79/00/08/557790008.db2.gz IOUMJKRXAIVOLK-DYESRHJHSA-N 0 3 428.916 3.519 40 0 IHABHN Cc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@@H]43)C[C@@H]2C)c1 ZINC000061997569 557830021 /nfs/dbraw/zinc/83/00/21/557830021.db2.gz XZCQJZYHYNIVDU-MPHDOKNVSA-N 0 3 438.612 3.791 40 0 IHABHN COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c2ccccc2O1 ZINC000260825650 557858267 /nfs/dbraw/zinc/85/82/67/557858267.db2.gz IOUMJKRXAIVOLK-UWJYYQICSA-N 0 3 428.916 3.519 40 0 IHABHN OC1(COc2ccc(F)cc2)CCN(Cc2cccc(OCCn3cccn3)c2)CC1 ZINC000585274649 568618499 /nfs/dbraw/zinc/61/84/99/568618499.db2.gz XXNKQDTVEKVISN-UHFFFAOYSA-N 0 3 425.504 3.507 40 0 IHABHN Cc1c(S(=O)(=O)N2CCC[C@@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)cnn1C ZINC000257208434 568668863 /nfs/dbraw/zinc/66/88/63/568668863.db2.gz BMDTVFVJJOQKCB-QGZVFWFLSA-N 0 3 443.548 3.883 40 0 IHABHN COc1ccc([C@@H]2CN(C(=O)c3ccccc3CN3CCCCC3)CCN2C(C)=O)cc1 ZINC000257224944 568676509 /nfs/dbraw/zinc/67/65/09/568676509.db2.gz FEBAFKMLCIIXBR-VWLOTQADSA-N 0 3 435.568 3.727 40 0 IHABHN COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCN(Cc3cccnc3N(C)C)C2)c1 ZINC000257263178 568694771 /nfs/dbraw/zinc/69/47/71/568694771.db2.gz LOTPGJADZWCHQS-IBGZPJMESA-N 0 3 432.572 3.669 40 0 IHABHN Cc1ccc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccccc2)C3=O)s1 ZINC000306123353 568762613 /nfs/dbraw/zinc/76/26/13/568762613.db2.gz AKWSGNDEJDIKAF-ILBGXUMGSA-N 0 3 433.577 3.849 40 0 IHABHN COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CCN(Cc3cc(C)cc(C)c3)CC2)C1 ZINC000306124967 568763473 /nfs/dbraw/zinc/76/34/73/568763473.db2.gz CDLAQUKKPRBJQW-UHFFFAOYSA-N 0 3 446.555 3.530 40 0 IHABHN Cc1cccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccc2)C3=O)c1 ZINC000306128266 568765235 /nfs/dbraw/zinc/76/52/35/568765235.db2.gz GVRFGIBNRRLICG-VPUSJEBWSA-N 0 3 427.548 3.787 40 0 IHABHN O=C1N(Cc2ccsc2)CCO[C@]12CN(Cc1cccs1)C[C@H]2c1cccnc1 ZINC000306142187 568772638 /nfs/dbraw/zinc/77/26/38/568772638.db2.gz WSFJZCVPOZAWBT-UNMCSNQZSA-N 0 3 425.579 3.602 40 0 IHABHN CN(C)CCNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccccn2)n1 ZINC000328983739 568808486 /nfs/dbraw/zinc/80/84/86/568808486.db2.gz HJSGDFOQVKQYNN-UHFFFAOYSA-N 0 3 436.869 3.772 40 0 IHABHN CN(C)CCNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2cccnc2)n1 ZINC000329015327 568809237 /nfs/dbraw/zinc/80/92/37/568809237.db2.gz NAEHSHCFQKZVSK-UHFFFAOYSA-N 0 3 434.491 3.711 40 0 IHABHN COCCC(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(OC(C)C)cc2)C1 ZINC000227308197 569183170 /nfs/dbraw/zinc/18/31/70/569183170.db2.gz HZIKANNGKYALMR-SQJMNOBHSA-N 0 3 425.573 3.975 40 0 IHABHN COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2cccc(C)c2OC)C1 ZINC000019702605 569232165 /nfs/dbraw/zinc/23/21/65/569232165.db2.gz VGBTXVCSKNVYGY-QGZVFWFLSA-N 0 3 439.581 3.979 40 0 IHABHN COCCNC(=O)c1cc([C@@H]2CCN(Cc3cccc(C)c3OC)C2)nc2ccccc21 ZINC000019761958 569328898 /nfs/dbraw/zinc/32/88/98/569328898.db2.gz VNABSNBCJFNBNN-LJQANCHMSA-N 0 3 433.552 3.918 40 0 IHABHN Cc1cc(Br)ccc1Nc1cc(-c2ccccn2)nc(NCCN(C)C)n1 ZINC000329013601 569583192 /nfs/dbraw/zinc/58/31/92/569583192.db2.gz MRCDJTLMUUKADT-UHFFFAOYSA-N 0 3 427.350 4.327 40 0 IHABHN CN(C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2cccs2)C1 ZINC000004237215 291367659 /nfs/dbraw/zinc/36/76/59/291367659.db2.gz GMJBPHDQQANOJX-PKOBYXMFSA-N 0 3 433.577 3.898 40 0 biogenic,in-vitro IHABHN COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCCN4C4CCOCC4)n3)cn2)cc1 ZINC000049155255 291370882 /nfs/dbraw/zinc/37/08/82/291370882.db2.gz ZVIKAQWCYQUHFQ-FQEVSTJZSA-N 0 3 449.511 3.708 40 0 biogenic,in-vitro IHABHN CCOc1cc(CNCCN2CCOCC2)cc(Br)c1OCc1ccccc1 ZINC000023471947 520713957 /nfs/dbraw/zinc/71/39/57/520713957.db2.gz TVNSPIQEDQORHP-UHFFFAOYSA-N 0 3 449.389 3.849 40 0 IHABHN CCN(CCN(C)C)c1nc(-c2cccnc2)nc2c1CCN(Cc1ccc(F)cc1)C2 ZINC000012233224 521044252 /nfs/dbraw/zinc/04/42/52/521044252.db2.gz WZIVCNUNNPAUSA-UHFFFAOYSA-N 0 3 434.563 3.624 40 0 IHABHN O=C(N[C@@H]1CCc2ccc(S(=O)(=O)NCCCN3CCCCCC3)cc21)C1CCCC1 ZINC000072345807 526957399 /nfs/dbraw/zinc/95/73/99/526957399.db2.gz POQDOKUSCWXPPR-HSZRJFAPSA-N 0 3 447.645 3.525 40 0 IHABHN O=C(NCc1ccc(F)cc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 ZINC000008298695 556156421 /nfs/dbraw/zinc/15/64/21/556156421.db2.gz SRMNDNZGEIWKBG-HUVFLSCGSA-N 0 3 439.579 3.567 40 0 biogenic,in-vitro IHABHN COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000039754593 556439132 /nfs/dbraw/zinc/43/91/32/556439132.db2.gz ASZUDIQMOCHZGV-UHFFFAOYSA-N 0 3 426.513 3.650 40 0 IHABHN COc1ccc(Br)cc1S(=O)(=O)NCc1ccccc1CN1CCCC1 ZINC000031075411 556519303 /nfs/dbraw/zinc/51/93/03/556519303.db2.gz PJNPIRZBRXYSOV-UHFFFAOYSA-N 0 3 439.375 3.532 40 0 IHABHN Cc1cccc(N(Cc2ccc(C(=O)NCCN3CCCCCC3)cc2)S(C)(=O)=O)c1 ZINC000013679007 556555675 /nfs/dbraw/zinc/55/56/75/556555675.db2.gz GISZNGRQGRILAI-UHFFFAOYSA-N 0 3 443.613 3.567 40 0 IHABHN CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856962 556672680 /nfs/dbraw/zinc/67/26/80/556672680.db2.gz HIIKNYLMPWCYKL-DENIHFKCSA-N 0 3 432.561 3.709 40 0 IHABHN CC(C)(N)C(=O)N1CCC[C@@H](c2cc(Nc3cccc(F)c3)nc(-c3cccnc3)n2)C1 ZINC000019080892 556695885 /nfs/dbraw/zinc/69/58/85/556695885.db2.gz MQTACOGDGOIVKV-QGZVFWFLSA-N 0 3 434.519 3.865 40 0 IHABHN CC(C)C(=O)N1CCC(c2nc([C@@H]3CCC[N@H+](CC4CCCCC4)C3)cc(=O)[n-]2)CC1 ZINC000019085350 556699377 /nfs/dbraw/zinc/69/93/77/556699377.db2.gz KZKZPFDBUJQBII-OAQYLSRUSA-N 0 3 428.621 3.892 40 0 IHABHN CC(C)C(=O)N1CCC(c2nc([C@@H]3CCC[N@@H+](CC4CCCCC4)C3)cc(=O)[n-]2)CC1 ZINC000019085350 556699378 /nfs/dbraw/zinc/69/93/78/556699378.db2.gz KZKZPFDBUJQBII-OAQYLSRUSA-N 0 3 428.621 3.892 40 0 IHABHN Cn1c2ccccc2nc1N1CCC(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000019289966 556729842 /nfs/dbraw/zinc/72/98/42/556729842.db2.gz CVRJMKBQGBTUKC-UHFFFAOYSA-N 0 3 431.584 3.571 40 0 IHABHN CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3ccc(OC)cc3)cc2c1 ZINC000000880591 556732301 /nfs/dbraw/zinc/73/23/01/556732301.db2.gz ZREWMJFWMRPEGB-UHFFFAOYSA-N 0 3 438.597 3.860 40 0 IHABHN COc1ccccc1NC(=S)N(CCN(C)C)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000000880647 556732482 /nfs/dbraw/zinc/73/24/82/556732482.db2.gz MSDLSDFVJTXDIH-UHFFFAOYSA-N 0 3 438.597 3.914 40 0 IHABHN O=C(NCc1ccncc1)c1cc([C@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1 ZINC000019347033 556742931 /nfs/dbraw/zinc/74/29/31/556742931.db2.gz NNYPNCUSZZBVMX-NRFANRHFSA-N 0 3 427.508 3.927 40 0 IHABHN O=C(NCc1ccncc1)c1cc([C@@H]2CCCN(Cc3ccnc4ccccc34)C2)no1 ZINC000019376086 556751954 /nfs/dbraw/zinc/75/19/54/556751954.db2.gz CKPVEKDAEPSHQH-HXUWFJFHSA-N 0 3 427.508 3.927 40 0 IHABHN O[C@H](CN1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2)c1ccc2c(c1)OCCO2 ZINC000019376359 556752188 /nfs/dbraw/zinc/75/21/88/556752188.db2.gz NXMDEXAUBWOWBC-XZOQPEGZSA-N 0 3 447.531 3.995 40 0 IHABHN COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3c[nH]c4ccc(F)cc43)CC1)O2 ZINC000019562168 556803530 /nfs/dbraw/zinc/80/35/30/556803530.db2.gz SXCSUEQAIXKWFT-FCHUYYIVSA-N 0 3 426.488 3.700 40 0 IHABHN Cc1c(C(=O)N2CCC[C@@H](c3cc(=O)[n-]c(C4CC[NH+](C)CC4)n3)C2)c2ccccc2n1C ZINC000019581725 556819726 /nfs/dbraw/zinc/81/97/26/556819726.db2.gz ILNFBJFQCIMJKT-LJQANCHMSA-N 0 3 447.583 3.811 40 0 IHABHN COCc1ccc(OC)c(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 ZINC000019594339 556829959 /nfs/dbraw/zinc/82/99/59/556829959.db2.gz FOKXKGDTTXVOHN-HHXXYDBFSA-N 0 3 439.482 3.633 40 0 IHABHN CNC(=O)c1cc([C@H]2CCN(CC3=Cc4cc(OC)ccc4OC3)C2)nc2ccccc21 ZINC000019761181 556904484 /nfs/dbraw/zinc/90/44/84/556904484.db2.gz GAQSSGFNKIVUAV-SFHVURJKSA-N 0 3 429.520 3.868 40 0 IHABHN CCn1ncc(CN2CCC[C@H]([C@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)c1C ZINC000072330540 556906299 /nfs/dbraw/zinc/90/62/99/556906299.db2.gz ZMWMGFAFRVEDCI-CPJSRVTESA-N 0 3 447.583 3.998 40 0 IHABHN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)CC1C(=O)Nc1ccccc1OC ZINC000019819106 556921776 /nfs/dbraw/zinc/92/17/76/556921776.db2.gz IEFPYPPDQJLTPC-INIZCTEOSA-N 0 3 428.872 3.787 40 0 IHABHN COc1cc2c(cc1CN1CCC[C@H](c3cc(-c4cnn(C)c4)cc(C)n3)C1)OCCO2 ZINC000072353763 556927942 /nfs/dbraw/zinc/92/79/42/556927942.db2.gz RXBGUWNBGKHJDY-SFHVURJKSA-N 0 3 434.540 3.950 40 0 IHABHN CN(C)c1ncc(CN2CC[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)cn1 ZINC000072371490 556938917 /nfs/dbraw/zinc/93/89/17/556938917.db2.gz ZSLKTMZKTNDKHY-QGZVFWFLSA-N 0 3 426.952 3.530 40 0 IHABHN CN(C)c1ncc(CN2CC[C@@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cn1 ZINC000072371490 556938920 /nfs/dbraw/zinc/93/89/20/556938920.db2.gz ZSLKTMZKTNDKHY-QGZVFWFLSA-N 0 3 426.952 3.530 40 0 IHABHN CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccc5ncccc5c4)C[C@H]32)c(OCC)n1 ZINC000072392646 556963995 /nfs/dbraw/zinc/96/39/95/556963995.db2.gz ARKNYOIWRKMSHI-PIBDYAPNSA-N 0 3 434.540 3.552 40 0 IHABHN O=S(=O)(NC1CC2(C1)CCN(Cc1c[nH]nc1-c1ccccc1)CC2)c1ccccc1 ZINC000585102907 557036786 /nfs/dbraw/zinc/03/67/86/557036786.db2.gz HQBRCGPXHYDJOY-UHFFFAOYSA-N 0 3 436.581 3.800 40 0 IHABHN CCCCOC(=O)c1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000101319297 557123230 /nfs/dbraw/zinc/12/32/30/557123230.db2.gz DPBZWGLQQUZBTA-QFIPXVFZSA-N 0 3 433.508 3.589 40 0 IHABHN COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(OC)cc2)[C@H]3c2ccccc2)cc1 ZINC000102693146 557131337 /nfs/dbraw/zinc/13/13/37/557131337.db2.gz MRIXZMITUCEVGP-VJBWXMMDSA-N 0 3 430.460 3.755 40 0 IHABHN COc1ccc(N2C(=O)C3ON(c4ccc(OC)cc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000102693146 557131339 /nfs/dbraw/zinc/13/13/39/557131339.db2.gz MRIXZMITUCEVGP-VJBWXMMDSA-N 0 3 430.460 3.755 40 0 IHABHN CN(C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)c3ccc(F)cc3)CC2)c2ccccc21 ZINC000096242216 557185995 /nfs/dbraw/zinc/18/59/95/557185995.db2.gz LETDGWQRFAHJDD-FQEVSTJZSA-N 0 3 437.559 3.555 40 0 IHABHN CC(=O)N[C@]12CN(C)[C@H](c3ccccc3)[C@H]1CCN(C(=O)C1(c3ccccc3)CCCC1)C2 ZINC000585261726 557196358 /nfs/dbraw/zinc/19/63/58/557196358.db2.gz CCVXTOHBSIJZGQ-SKVJQKLOSA-N 0 3 445.607 3.909 40 0 IHABHN Cc1cnn(CCOc2cccc(CN3CCC(O)(COc4ccccc4F)CC3)c2)c1 ZINC000585272218 557217253 /nfs/dbraw/zinc/21/72/53/557217253.db2.gz QYIHFIOYDXBYOK-UHFFFAOYSA-N 0 3 439.531 3.816 40 0 IHABHN CC(=O)NCCCOc1ccc(CN2CCC(O)(COc3ccc(C)cc3C)CC2)cc1 ZINC000585280582 557220357 /nfs/dbraw/zinc/22/03/57/557220357.db2.gz PWDQDACGTICVPQ-UHFFFAOYSA-N 0 3 440.584 3.614 40 0 IHABHN OC[C@H]1[C@H](O)C[C@@H](NCc2cccc(Cl)c2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 ZINC000604382409 557237025 /nfs/dbraw/zinc/23/70/25/557237025.db2.gz RDSHXPNGFVOPFW-OHUMZHCVSA-N 0 3 441.934 3.626 40 0 biogenic,in-vitro IHABHN COCCC(=O)N[C@H](c1ccccn1)C1CCN(Cc2ccc(OC)c(C)c2C)CC1 ZINC000057774013 557263697 /nfs/dbraw/zinc/26/36/97/557263697.db2.gz KEVPPGJRFTUXKC-VWLOTQADSA-N 0 3 425.573 3.813 40 0 IHABHN Fc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCN(C3CCCC3)CC2)cc1 ZINC000022929905 557274264 /nfs/dbraw/zinc/27/42/64/557274264.db2.gz QQYCIFMLRQWVIC-DEOSSOPVSA-N 0 3 434.563 3.705 40 0 IHABHN COc1ccc(CN(CCCN2CCOCC2)Cc2cccnc2)c2c(OC)cccc12 ZINC000013569071 557347498 /nfs/dbraw/zinc/34/74/98/557347498.db2.gz IBBDSKFXHFUSID-UHFFFAOYSA-N 0 3 435.568 3.977 40 0 IHABHN COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(Br)cc3)CC1)O2 ZINC000013998256 557402908 /nfs/dbraw/zinc/40/29/08/557402908.db2.gz NZSQSJHSOGLQLC-VQTJNVASSA-N 0 3 448.357 3.842 40 0 IHABHN COc1ccc(Cn2nnnc2[C@@H](c2ccc(C)cc2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019367034 557499192 /nfs/dbraw/zinc/49/91/92/557499192.db2.gz YBVAHNMGJMBORJ-RUZDIDTESA-N 0 3 446.599 3.688 40 0 IHABHN CS(=O)(=O)[N-]c1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c(Cl)c1 ZINC000224681687 557640260 /nfs/dbraw/zinc/64/02/60/557640260.db2.gz FASMBFUOSSKJGG-UHFFFAOYSA-N 0 3 435.977 3.627 40 0 IHABHN CC(C)n1c2ccc(S(=O)(=O)NCc3ccccc3CN3CCCC3)cc2sc1=O ZINC000224805318 557653387 /nfs/dbraw/zinc/65/33/87/557653387.db2.gz KZLPKWWHHXASMJ-UHFFFAOYSA-N 0 3 445.610 3.718 40 0 IHABHN COC(=O)c1cc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)ccc1Cl ZINC000224850459 557658765 /nfs/dbraw/zinc/65/87/65/557658765.db2.gz MYEGMBHWEUGRDO-UHFFFAOYSA-N 0 3 436.961 3.591 40 0 IHABHN O=C(NCCCN1CCc2ccccc2C1)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000225146250 557692355 /nfs/dbraw/zinc/69/23/55/557692355.db2.gz GLCQWUDOUNTQSS-MOHJPFBDSA-N 0 3 429.520 3.615 40 0 IHABHN Cn1ccnc1COc1ccc(CN2CCC(O)(COc3ccccc3F)CC2)cc1 ZINC000585270592 568617304 /nfs/dbraw/zinc/61/73/04/568617304.db2.gz NBUOCYKTRWAWRF-UHFFFAOYSA-N 0 3 425.504 3.544 40 0 IHABHN CCn1cc(S(=O)(=O)N2CC[C@@H](c3cc(Nc4ccc(F)cc4)cc(C)n3)C2)c(C)n1 ZINC000257224584 568676501 /nfs/dbraw/zinc/67/65/01/568676501.db2.gz FCKOXJJFEBHTNQ-QGZVFWFLSA-N 0 3 443.548 3.976 40 0 IHABHN Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)COc2ccc(CN3CCCC3)cc2)n1 ZINC000257249124 568688074 /nfs/dbraw/zinc/68/80/74/568688074.db2.gz JGXAEOZRKXBTBA-XMMPIXPASA-N 0 3 445.567 3.914 40 0 IHABHN CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)C2CCN(Cc3cccnc3)CC2)n1 ZINC000257253355 568690209 /nfs/dbraw/zinc/69/02/09/568690209.db2.gz JYNWPZVMYYRNMH-QHCPKHFHSA-N 0 3 444.583 3.800 40 0 IHABHN COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCN(Cc3cccnc3N(C)C)C2)c1 ZINC000257263179 568694665 /nfs/dbraw/zinc/69/46/65/568694665.db2.gz LOTPGJADZWCHQS-LJQANCHMSA-N 0 3 432.572 3.669 40 0 IHABHN CN(CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCCCC2)C1)C1CCCC1 ZINC000257264285 568695260 /nfs/dbraw/zinc/69/52/60/568695260.db2.gz LTSDCARHKMURRR-URXFXBBRSA-N 0 3 441.616 3.560 40 0 IHABHN c1cc2c(C[C@H]3COCCN(Cc4cccc(OCc5ccccn5)c4)C3)cccn2n1 ZINC000257286942 568705243 /nfs/dbraw/zinc/70/52/43/568705243.db2.gz PNSQHPHLAQKBJY-JOCHJYFZSA-N 0 3 428.536 3.999 40 0 IHABHN O=C(c1ccccc1CN1CCCCC1)N1CCOC[C@@H](Cc2nccn3cccc23)C1 ZINC000257295585 568709161 /nfs/dbraw/zinc/70/91/61/568709161.db2.gz QYZYYECFQHRLFB-NRFANRHFSA-N 0 3 432.568 3.652 40 0 IHABHN Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 ZINC000257327412 568723032 /nfs/dbraw/zinc/72/30/32/568723032.db2.gz XBFNOPVHIIOPPF-INIZCTEOSA-N 0 3 429.521 3.575 40 0 IHABHN COc1ccc(CN2Cc3c(=O)n(C)[n-]c3C3(CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000306127931 568764895 /nfs/dbraw/zinc/76/48/95/568764895.db2.gz GLAHCPAEWLOOCN-UHFFFAOYSA-N 0 3 432.568 3.684 40 0 IHABHN c1csc(CN2CCC3(CC2)Oc2ccccc2-c2c3cnn2CCN2CCCC2)n1 ZINC000306131521 568766726 /nfs/dbraw/zinc/76/67/26/568766726.db2.gz KHNPJPAYQLBHBX-UHFFFAOYSA-N 0 3 435.597 3.986 40 0 IHABHN Cc1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)nc(NCCN(C)C)n1 ZINC000329071607 568811222 /nfs/dbraw/zinc/81/12/22/568811222.db2.gz ZRKZTFPGCWEUKV-UHFFFAOYSA-N 0 3 445.489 3.780 40 0 IHABHN O=S1(=O)CC[C@@H](N(CCNCc2ccccc2Cl)Cc2ccccc2Cl)C1 ZINC000575420897 568863026 /nfs/dbraw/zinc/86/30/26/568863026.db2.gz KWZJJPYXUNQCFC-GOSISDBHSA-N 0 3 427.397 3.772 40 0 IHABHN COc1ccc2c(c1)[C@@H]1C[C@@](C)(NC(=O)C1S(=O)(=O)c1ccc(C(C)(C)C)cc1)O2 ZINC000009407633 569215263 /nfs/dbraw/zinc/21/52/63/569215263.db2.gz HXMNWPBJRRRFTN-LEDOBFOHSA-N 0 3 429.538 3.547 40 0 IHABHN COc1ccc(NC(=O)c2cnc(C)nc2CC2CCN(CC3=CCCOC3)CC2)cc1 ZINC000019757199 569236975 /nfs/dbraw/zinc/23/69/75/569236975.db2.gz RQUSUHSRDRAVQQ-UHFFFAOYSA-N 0 3 436.556 3.647 40 0 IHABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218058907 569456208 /nfs/dbraw/zinc/45/62/08/569456208.db2.gz WAPZTEYKJAHIHL-LQWHRVPQSA-N 0 3 436.961 3.502 40 0 IHABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218633935 569458908 /nfs/dbraw/zinc/45/89/08/569458908.db2.gz OFWVXHUKENCCBU-WFXMLNOXSA-N 0 3 436.961 3.502 40 0 IHABHN CC(C)C[C@@H]1N[C@H](C(=O)N2CCOCC2)Cc2cn(Cc3cccnc3)c3cccc1c23 ZINC000049171595 291365283 /nfs/dbraw/zinc/36/52/83/291365283.db2.gz BVOCKNHUANEGDC-GOTSBHOMSA-N 0 3 432.568 3.545 40 0 biogenic,in-vitro IHABHN Cn1nc(-c2ccc(F)cc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)COc1ccccc1 ZINC000012602090 291374475 /nfs/dbraw/zinc/37/44/75/291374475.db2.gz RJWLQCQACMEKIR-WPYKKVEZSA-N 0 3 448.542 3.599 40 0 biogenic,in-vitro IHABHN CCOc1ccc(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1OC ZINC000012182118 520971111 /nfs/dbraw/zinc/97/11/11/520971111.db2.gz GUMSRHAIURXJMJ-JTDSTZFVSA-N 0 3 439.482 3.885 40 0 IHABHN CCOc1cccc(CNCCc2ccc(S(N)(=O)=O)cc2)c1OCc1ccccc1 ZINC000022076880 521363816 /nfs/dbraw/zinc/36/38/16/521363816.db2.gz OKYKJBLYPJKHSB-UHFFFAOYSA-N 0 3 440.565 3.644 40 0 IHABHN CCCn1ncc(CN2CCC3(C[C@@]4(CO3)NC(=O)c3cc(Cl)ccc3N4)CC2)c1C ZINC000012085565 556399425 /nfs/dbraw/zinc/39/94/25/556399425.db2.gz KHFIUFISEHEPJG-QHCPKHFHSA-N 0 3 443.979 3.562 40 0 IHABHN CCOc1cc(CNC23CC4CC(CC(C4)C2)C3)c(Br)cc1OCC(N)=O ZINC000036612887 556511108 /nfs/dbraw/zinc/51/11/08/556511108.db2.gz ARQHFEGOEYHMNG-UHFFFAOYSA-N 0 3 437.378 3.770 40 0 IHABHN CC1CCN(Cc2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)CC1 ZINC000038852689 556625092 /nfs/dbraw/zinc/62/50/92/556625092.db2.gz JRBPQGCMAYRSDB-UHFFFAOYSA-N 0 3 435.568 3.605 40 0 IHABHN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)c3ccc(CN(C)C)cc3)C1)N2 ZINC000019128200 556703866 /nfs/dbraw/zinc/70/38/66/556703866.db2.gz TYYZTPDXPRVJFY-HSALFYBXSA-N 0 3 431.531 3.796 40 0 IHABHN Cc1ccc(CN2CCC[C@H]2c2c(-c3ccnc(N4CCCC4)n3)cnn2CCO)cc1C ZINC000019213975 556711118 /nfs/dbraw/zinc/71/11/18/556711118.db2.gz TYVZSVMCQIQEAD-DEOSSOPVSA-N 0 3 446.599 3.887 40 0 IHABHN CC(=O)NCCCOc1ccc(CN2CCC(O)(COc3cccc(Cl)c3)CC2)cc1 ZINC000257251959 556711703 /nfs/dbraw/zinc/71/17/03/556711703.db2.gz JTAHYEFHCGTGAL-UHFFFAOYSA-N 0 3 446.975 3.651 40 0 IHABHN Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(N4CCCC4=O)cc3)CC1)O2 ZINC000019219255 556713844 /nfs/dbraw/zinc/71/38/44/556713844.db2.gz MMWNFJZEJZJHQC-XZOQPEGZSA-N 0 3 436.552 3.506 40 0 IHABHN O=C(c1ccccc1F)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019347547 556743118 /nfs/dbraw/zinc/74/31/18/556743118.db2.gz LEFSQZZDIARJCO-JOCHJYFZSA-N 0 3 438.547 3.825 40 0 IHABHN O=C(c1ccccc1F)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019347547 556743122 /nfs/dbraw/zinc/74/31/22/556743122.db2.gz LEFSQZZDIARJCO-JOCHJYFZSA-N 0 3 438.547 3.825 40 0 IHABHN O=C(NCc1ccncc1)c1cc([C@H]2CCCN(Cc3ccnc4ccccc34)C2)no1 ZINC000019376087 556751862 /nfs/dbraw/zinc/75/18/62/556751862.db2.gz CKPVEKDAEPSHQH-FQEVSTJZSA-N 0 3 427.508 3.927 40 0 IHABHN COc1cccc2[nH]c(C(=O)N3CCCC[C@H]3c3nc4c(c(=O)[n-]3)CC[N@@H+](C(C)C)C4)cc21 ZINC000019448355 556757488 /nfs/dbraw/zinc/75/74/88/556757488.db2.gz UNYNQPLFCAAEGP-NRFANRHFSA-N 0 3 449.555 3.806 40 0 IHABHN COc1cccc2[nH]c(C(=O)N3CCCC[C@H]3c3nc4c(c(=O)[n-]3)CC[N@H+](C(C)C)C4)cc21 ZINC000019448355 556757490 /nfs/dbraw/zinc/75/74/90/556757490.db2.gz UNYNQPLFCAAEGP-NRFANRHFSA-N 0 3 449.555 3.806 40 0 IHABHN CC(C)n1cc(CN2C[C@@H](c3cccnc3)[C@]3(C2)COCCC(=O)N3)c2ccc(F)cc21 ZINC000019454779 556764953 /nfs/dbraw/zinc/76/49/53/556764953.db2.gz MMTAABFLMFSKIO-DHLKQENFSA-N 0 3 436.531 3.631 40 0 IHABHN CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN(C(=O)c5cccnc5)C4)[n-]c(=O)c3C2)CC1 ZINC000019495966 556768885 /nfs/dbraw/zinc/76/88/85/556768885.db2.gz AFLFRPOTURDVCM-SYYJFZTOSA-N 0 3 435.572 3.534 40 0 IHABHN CC1CCC([N@H+]2CCc3nc([C@H]4CCCN(C(=O)c5cccnc5)C4)[n-]c(=O)c3C2)CC1 ZINC000019495966 556768888 /nfs/dbraw/zinc/76/88/88/556768888.db2.gz AFLFRPOTURDVCM-SYYJFZTOSA-N 0 3 435.572 3.534 40 0 IHABHN CCN(CCN(C)C)c1nc(-c2ccncc2)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000019526591 556784812 /nfs/dbraw/zinc/78/48/12/556784812.db2.gz TYAQIZBZDFZNHH-UHFFFAOYSA-N 0 3 434.563 3.624 40 0 IHABHN CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2cnn(CC)c2)C1 ZINC000019528759 556789172 /nfs/dbraw/zinc/78/91/72/556789172.db2.gz VTHNQNDSJHIJEG-SANMLTNESA-N 0 3 431.584 3.926 40 0 IHABHN COc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)cc1OC ZINC000019560971 556802377 /nfs/dbraw/zinc/80/23/77/556802377.db2.gz LNGMDRYALJOGAE-IBGZPJMESA-N 0 3 448.571 3.864 40 0 IHABHN Cc1c(CN2C[C@H](C(=O)N(C)C)[C@@H](c3ccnc(N4CCCCC4)n3)C2)[nH]c2ccccc12 ZINC000019565937 556806433 /nfs/dbraw/zinc/80/64/33/556806433.db2.gz QBTFYRCQSILKBM-SFTDATJTSA-N 0 3 446.599 3.560 40 0 IHABHN COc1cccc([C@@H]2CN(C(=O)CN3CC[C@H]4CCCC[C@@H]4C3)C[C@H]2c2csnn2)c1 ZINC000019566036 556806510 /nfs/dbraw/zinc/80/65/10/556806510.db2.gz CSKWEIGZPNEZTK-CMCXCUNFSA-N 0 3 440.613 3.768 40 0 IHABHN CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2ccc(OC)cc2OC)C1 ZINC000019591704 556827536 /nfs/dbraw/zinc/82/75/36/556827536.db2.gz HZWMTRYTBPZNPI-HHHXNRCGSA-N 0 3 445.563 3.947 40 0 IHABHN COc1cc(CN2CCC[C@@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)cc(OC)c1 ZINC000019595099 556830640 /nfs/dbraw/zinc/83/06/40/556830640.db2.gz UTRJYKDWDFDSKO-LJQANCHMSA-N 0 3 448.571 3.864 40 0 IHABHN CCN1CCC[C@H]1CN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)NCc1ccccc1 ZINC000008617339 556841797 /nfs/dbraw/zinc/84/17/97/556841797.db2.gz BRJIZRMLCXFHJL-QFIPXVFZSA-N 0 3 448.567 3.733 40 0 IHABHN COCCOc1cccc(CN2CCC[C@H](c3nc(-c4ccccc4)c(C(N)=O)[nH]3)C2)c1 ZINC000019698991 556858364 /nfs/dbraw/zinc/85/83/64/556858364.db2.gz DZXJZYXSYKRTFI-FQEVSTJZSA-N 0 3 434.540 3.580 40 0 IHABHN CCN(CC)CC(=O)N1CC[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 ZINC000019756925 556901054 /nfs/dbraw/zinc/90/10/54/556901054.db2.gz PUJUYAFJKCBYBG-MRXNPFEDSA-N 0 3 437.569 3.601 40 0 IHABHN CCN(CC)CC(=O)N1CC[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 ZINC000019756927 556901097 /nfs/dbraw/zinc/90/10/97/556901097.db2.gz PUJUYAFJKCBYBG-INIZCTEOSA-N 0 3 437.569 3.601 40 0 IHABHN COc1ccc(-c2ncc(CN3CC[C@@H](c4cc(C(N)=O)c5ccccc5n4)C3)cn2)cc1 ZINC000019761914 556905943 /nfs/dbraw/zinc/90/59/43/556905943.db2.gz RELJHKCWLMWACQ-LJQANCHMSA-N 0 3 439.519 3.789 40 0 IHABHN CNC(=O)c1cc([C@@H]2CCN(Cc3c[nH]nc3-c3cccc(OC)c3)C2)nc2ccccc21 ZINC000019761945 556906029 /nfs/dbraw/zinc/90/60/29/556906029.db2.gz ANWDXDLXLVWUTN-GOSISDBHSA-N 0 3 441.535 3.983 40 0 IHABHN CCC(=O)N1CCc2cc([C@@H](O)CN3CCC[C@](O)(c4ccc(F)cc4)CC3)ccc21 ZINC000072343045 556915055 /nfs/dbraw/zinc/91/50/55/556915055.db2.gz IKSYYFFPOGVAQM-UKILVPOCSA-N 0 3 426.532 3.532 40 0 IHABHN CNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2cc3c(cc2C)n(C)c(=O)n3C)C1 ZINC000072352322 556923847 /nfs/dbraw/zinc/92/38/47/556923847.db2.gz LNOACZNYAJSGCE-INIZCTEOSA-N 0 3 448.592 3.749 40 0 IHABHN Cc1ncc(CN2CCCC[C@H]2Cc2c3ccccc3sc2C(=O)NCCO)s1 ZINC000072370504 556935007 /nfs/dbraw/zinc/93/50/07/556935007.db2.gz QKYWPLRIIPVFMT-INIZCTEOSA-N 0 3 429.611 3.986 40 0 IHABHN Cc1nccn1CCC(=O)N1CC[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371533 556939440 /nfs/dbraw/zinc/93/94/40/556939440.db2.gz OOPLJKGIFLZECB-KRWDZBQOSA-N 0 3 427.936 3.596 40 0 IHABHN Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(C(=O)CN3CCc4ccccc4C3)C2)n1 ZINC000072374936 556949378 /nfs/dbraw/zinc/94/93/78/556949378.db2.gz ZIFDFBOBAOCCHS-QFIPXVFZSA-N 0 3 442.567 3.688 40 0 IHABHN COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccc(OC5CCCC5)cc4)C[C@H]32)c(OC)n1 ZINC000072392634 556963989 /nfs/dbraw/zinc/96/39/89/556963989.db2.gz DISBXXMMHNGWED-QRJOEMBSSA-N 0 3 439.556 3.545 40 0 IHABHN Cc1cc(C)c(C(=O)NC2CCN(CC3(c4ccc(Cl)cc4)CCC3)CC2)c(=O)[nH]1 ZINC000072393390 556964365 /nfs/dbraw/zinc/96/43/65/556964365.db2.gz UKYBANOBXGPJSZ-UHFFFAOYSA-N 0 3 427.976 3.961 40 0 IHABHN O=C(CC1CCOCC1)N[C@@H]1c2ccccc2[C@@H]2CN(CCOc3cccc(F)c3)C[C@@H]21 ZINC000585109755 557041738 /nfs/dbraw/zinc/04/17/38/557041738.db2.gz PORFLIIDFAHUCC-KYPHJKQUSA-N 0 3 438.543 3.908 40 0 IHABHN CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@@H](C)N1C[C@@H](C)C[C@H](C)C1 ZINC000005067096 557045704 /nfs/dbraw/zinc/04/57/04/557045704.db2.gz ZEXLUBLZRNFVBG-SOUVJXGZSA-N 0 3 431.533 3.667 40 0 IHABHN OC[C@@H](O)CN1CCC(c2ccnc(Nc3ncc(-c4ccccc4F)s3)c2)CC1 ZINC000585262827 557203316 /nfs/dbraw/zinc/20/33/16/557203316.db2.gz KKFZAPYIMDHLFU-KRWDZBQOSA-N 0 3 428.533 3.620 40 0 IHABHN Cc1ccc(OCC2(O)CCN(Cc3cccc(OCCn4ccnc4)c3)CC2)c(C)c1 ZINC000585272177 557216685 /nfs/dbraw/zinc/21/66/85/557216685.db2.gz LPWJQJIVDZEYII-UHFFFAOYSA-N 0 3 435.568 3.985 40 0 IHABHN Cc1ccc(Cl)c(OC[C@@]2(O)CN(C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)CC[C@@H]2O)c1 ZINC000585287599 557227636 /nfs/dbraw/zinc/22/76/36/557227636.db2.gz PKOGPAZMODUKHH-CJOZULMCSA-N 0 3 440.024 3.792 40 0 IHABHN Fc1ccc(Cn2nnnc2[C@@H](c2ccccc2F)N2CCN(C3CCCC3)CC2)cc1 ZINC000022929413 557277671 /nfs/dbraw/zinc/27/76/71/557277671.db2.gz KJBVAKONZAKYOO-HSZRJFAPSA-N 0 3 438.526 3.649 40 0 IHABHN Cn1c(SCCN2CCCC2)nnc1C1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000013565121 557341993 /nfs/dbraw/zinc/34/19/93/557341993.db2.gz BYEKCZVEQCSIIO-UHFFFAOYSA-N 0 3 448.036 3.605 40 0 IHABHN COc1ccc(-c2noc(CNC(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)n2)cc1 ZINC000222595999 557358133 /nfs/dbraw/zinc/35/81/33/557358133.db2.gz HWHVJJIWYIOPAH-SFHVURJKSA-N 0 3 440.931 3.927 40 0 IHABHN C/C(=C\c1ccccc1)CNCCc1nc(-c2ccccc2)ncc1C(=O)N1CCOCC1 ZINC000072352097 557387083 /nfs/dbraw/zinc/38/70/83/557387083.db2.gz PJTYXBUHGVKCMP-DYTRJAOYSA-N 0 3 442.563 3.852 40 0 IHABHN CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)ccc1O ZINC000101148235 557389764 /nfs/dbraw/zinc/38/97/64/557389764.db2.gz QBRWSSZSUDHTHM-VJBWXMMDSA-N 0 3 448.450 3.981 40 0 IHABHN CC[C@@H](C(=O)NCc1ccccc1CN1CCCCC1)N(c1ccccc1)S(C)(=O)=O ZINC000224832441 557656635 /nfs/dbraw/zinc/65/66/35/557656635.db2.gz NDYCJFCHHFSWIG-QHCPKHFHSA-N 0 3 443.613 3.534 40 0 IHABHN Cc1nnc(SCCNC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)[nH]1 ZINC000225910035 557790939 /nfs/dbraw/zinc/79/09/39/557790939.db2.gz GAUSLUSGMUTCOW-ZDUSSCGKSA-N 0 3 428.389 3.540 40 0 IHABHN CC(C)(C)[C@H]1CC[C@](O)(CN2CCOC[C@@](O)(COc3ccc(F)c(Cl)c3)C2)CC1 ZINC000585287608 568618961 /nfs/dbraw/zinc/61/89/61/568618961.db2.gz PLFAPROCNKXCAB-MQNAVGNWSA-N 0 3 443.987 3.889 40 0 IHABHN O=C(C1CCN(Cc2ccccn2)CC1)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 ZINC000257203279 568666862 /nfs/dbraw/zinc/66/68/62/568666862.db2.gz APIAWKTYCVBETI-JOCHJYFZSA-N 0 3 448.546 3.505 40 0 IHABHN O=C(C1CC[NH+](Cc2ccccn2)CC1)N1CCC[C@@H]1c1nnc(Cc2ccc(F)cc2)[n-]1 ZINC000257203279 568666863 /nfs/dbraw/zinc/66/68/63/568666863.db2.gz APIAWKTYCVBETI-JOCHJYFZSA-N 0 3 448.546 3.505 40 0 IHABHN Cc1ccc2n[nH]c(C(=O)N3CCO[C@@H](c4cc(Nc5ccccn5)cc(C)n4)C3)c2c1 ZINC000257229720 568678759 /nfs/dbraw/zinc/67/87/59/568678759.db2.gz FZFSEWWTIOSPLW-OAQYLSRUSA-N 0 3 428.496 3.927 40 0 IHABHN CCc1ccc(CN2CCC(c3nnc([C@H]4CCCCN4S(=O)(=O)CC)o3)CC2)cc1 ZINC000257247351 568687250 /nfs/dbraw/zinc/68/72/50/568687250.db2.gz IYPCGYJYEDDURV-OAQYLSRUSA-N 0 3 446.617 3.888 40 0 IHABHN CN(C)c1ncc(-c2cnn(C)c2)c([C@H]2CCN(Cc3ccc4c(c3)CC(C)(C)O4)C2)n1 ZINC000257296518 568709791 /nfs/dbraw/zinc/70/97/91/568709791.db2.gz RDEPNBJZWUYSSV-SFHVURJKSA-N 0 3 432.572 3.646 40 0 IHABHN CCn1c2ccc(NC(=O)CN3C[C@@H]4[C@@H](Cc5cccc(OC)c5)CC[C@@H]4C3)cc2oc1=O ZINC000257335507 568726739 /nfs/dbraw/zinc/72/67/39/568726739.db2.gz YKLQIHFRUZTEHW-WOIUINJBSA-N 0 3 449.551 3.762 40 0 IHABHN O=C1N(Cc2ccsc2)CCO[C@@]12CN(Cc1ccc(F)cc1)C[C@H]2c1cccnc1 ZINC000306124900 568763422 /nfs/dbraw/zinc/76/34/22/568763422.db2.gz CBVLAKFNIALMSF-LADGPHEKSA-N 0 3 437.540 3.679 40 0 IHABHN Cc1nc(CN2CC[C@@]3(CN(Cc4ccoc4)C[C@@H]3c3cn(C(C)C)cn3)C2=O)cs1 ZINC000306124984 568763450 /nfs/dbraw/zinc/76/34/50/568763450.db2.gz CDUQUZQRBVISDK-OFNKIYASSA-N 0 3 439.585 3.840 40 0 IHABHN O=C1N(Cc2ccsc2)CCO[C@]12CN(Cc1cccc(F)c1)C[C@H]2c1cccnc1 ZINC000306128353 568765192 /nfs/dbraw/zinc/76/51/92/568765192.db2.gz GYLONOFBTDSHJC-UPVQGACJSA-N 0 3 437.540 3.679 40 0 IHABHN Cc1ccsc1CN1C[C@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccsc1)C2=O ZINC000306128623 568765395 /nfs/dbraw/zinc/76/53/95/568765395.db2.gz HGHWWYJQVDDHLF-NFBKMPQASA-N 0 3 439.606 3.910 40 0 IHABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3ccc(Cl)cc3)C[C@H]1C2 ZINC000306129498 568765752 /nfs/dbraw/zinc/76/57/52/568765752.db2.gz IFAKMTXMZBOARO-HZPDHXFCSA-N 0 3 425.895 3.627 40 0 IHABHN CN(C)CCNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccccn2)n1 ZINC000328997928 568808882 /nfs/dbraw/zinc/80/88/82/568808882.db2.gz JQLMIUVEVYSYTL-UHFFFAOYSA-N 0 3 434.491 3.711 40 0 IHABHN CN(C)CCNc1nc(Nc2ccc(Br)cc2F)cc(-c2ccccc2)n1 ZINC000329045965 568810390 /nfs/dbraw/zinc/81/03/90/568810390.db2.gz TYOHXAYIEWPAKS-UHFFFAOYSA-N 0 3 430.325 3.606 40 0 IHABHN Cc1c(Br)cccc1Nc1cc(-c2ccccc2)nc(NCCN(C)C)n1 ZINC000329063917 568810855 /nfs/dbraw/zinc/81/08/55/568810855.db2.gz XGJCFHNJGKJRIB-UHFFFAOYSA-N 0 3 426.362 3.775 40 0 IHABHN CN(C)CCNc1nc(Nc2ccc(F)cc2Br)cc(-c2ccccc2)n1 ZINC000329070840 568811135 /nfs/dbraw/zinc/81/11/35/568811135.db2.gz ZKEOBXLBPZQFHG-UHFFFAOYSA-N 0 3 430.325 3.606 40 0 IHABHN CCOc1ncc([C@]2(O)CC[C@@H]3CN(Cc4cccc(OC(C)C)c4)C[C@H]32)c(OCC)n1 ZINC000230035576 569185047 /nfs/dbraw/zinc/18/50/47/569185047.db2.gz GDZNPJKSHQYXBX-OPJGWUQDSA-N 0 3 441.572 3.791 40 0 IHABHN COc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(C)C(=O)C1S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000009407612 569215185 /nfs/dbraw/zinc/21/51/85/569215185.db2.gz SLJZKUWMQWWDMC-RRPUWOKSSA-N 0 3 429.538 3.715 40 0 IHABHN CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCN(Cc3ccccc3Cl)C2)n1 ZINC000019694747 569229218 /nfs/dbraw/zinc/22/92/18/569229218.db2.gz HFTBJMTZLOWLOG-LJQANCHMSA-N 0 3 435.959 3.951 40 0 IHABHN CNc1cc(C2CCN(Cc3ccc4c(c3)CC(C)(C)O4)CC2)nc(CN(C)C(C)=O)n1 ZINC000019710113 569234934 /nfs/dbraw/zinc/23/49/34/569234934.db2.gz YXEQKMPXOXJWMO-UHFFFAOYSA-N 0 3 437.588 3.590 40 0 IHABHN N[C@H](Cc1ccc(F)cc1)C(=O)NCC1CCC(c2ccnc(Nc3ccccn3)n2)CC1 ZINC000072380006 569250182 /nfs/dbraw/zinc/25/01/82/569250182.db2.gz BBVQRJGUBKOXEV-GZNCHQMQSA-N 0 3 448.546 3.714 40 0 IHABHN CC(C)(C)c1ccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)NCc3ccco3)nn2)cc1 ZINC000008297623 291364859 /nfs/dbraw/zinc/36/48/59/291364859.db2.gz JFYPCOMTCPKZLT-WPYKKVEZSA-N 0 3 447.583 3.862 40 0 biogenic,in-vitro IHABHN COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@@H](CNCc4cccc(OC)c4)O3)no2)cc1 ZINC000077263349 291370228 /nfs/dbraw/zinc/37/02/28/291370228.db2.gz LDTGJJSJEBEJEP-SONWIMMPSA-N 0 3 438.524 3.600 40 0 biogenic,in-vitro IHABHN CCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(CC)CC3)cc2)c1 ZINC000006517400 132277558 /nfs/dbraw/zinc/27/75/58/132277558.db2.gz QKSIIHLQEWILAT-UHFFFAOYSA-N 0 3 426.586 3.744 40 0 IHABHN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N[C@H](c1ccccc1)[C@H](N)c1ccccc1)C(=O)C2 ZINC000035567327 520642511 /nfs/dbraw/zinc/64/25/11/520642511.db2.gz ITNLZZDQOMWQDT-VDEHWKIFSA-N 0 3 426.582 3.743 40 0 IHABHN COc1cc(OC)cc(-n2c(SCCN3CCCCC3)nnc2-c2cccnc2)c1 ZINC000035313003 522842029 /nfs/dbraw/zinc/84/20/29/522842029.db2.gz WMKKUWCNBZUWHS-UHFFFAOYSA-N 0 3 425.558 3.925 40 0 IHABHN O=C(NCc1cccc(CN2CCOCC2)c1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000038831269 556621768 /nfs/dbraw/zinc/62/17/68/556621768.db2.gz OCTQEOIMCREKAD-UHFFFAOYSA-N 0 3 442.003 3.701 40 0 IHABHN COc1ccc([C@@H]2CN(C(=O)C3(Cc4ccc(F)cc4)CCN(C)CC3)CCN2C)cc1 ZINC000257322293 556704506 /nfs/dbraw/zinc/70/45/06/556704506.db2.gz WFJFXEGAIHNJSQ-DEOSSOPVSA-N 0 3 439.575 3.604 40 0 IHABHN CN(Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@@H](O)Cn1ccc2ccccc21 ZINC000257310622 556718452 /nfs/dbraw/zinc/71/84/52/556718452.db2.gz UFXJRZRMRKJFRY-HSZRJFAPSA-N 0 3 435.568 3.526 40 0 IHABHN COc1ccc(CN2CCC[C@H](c3nn(C)cc3-c3ccnc(N4CCCC4)n3)C2)cc1 ZINC000019290171 556730124 /nfs/dbraw/zinc/73/01/24/556730124.db2.gz FNGKDQBIPMNSKU-FQEVSTJZSA-N 0 3 432.572 3.866 40 0 IHABHN CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3ccc(F)cc3)cc2c1 ZINC000000880590 556732318 /nfs/dbraw/zinc/73/23/18/556732318.db2.gz RVXJZIISCYKAHI-UHFFFAOYSA-N 0 3 426.561 3.990 40 0 IHABHN COc1ccccc1NC(=S)N(CCN(C)C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000000880638 556732632 /nfs/dbraw/zinc/73/26/32/556732632.db2.gz XKXCADSTAFUMBT-UHFFFAOYSA-N 0 3 438.597 3.914 40 0 IHABHN O=C(NCCc1ccncc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372570 556749106 /nfs/dbraw/zinc/74/91/06/556749106.db2.gz KGUJXMKDNKDAST-DNQXCXABSA-N 0 3 431.511 3.511 40 0 IHABHN CCC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1 ZINC000019499325 556771107 /nfs/dbraw/zinc/77/11/07/556771107.db2.gz WJBWBACQVGDOPO-SFTDATJTSA-N 0 3 428.504 3.558 40 0 IHABHN CCCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2cnn(C)c2)C1 ZINC000019503573 556775308 /nfs/dbraw/zinc/77/53/08/556775308.db2.gz HCUQHCBLKUXLEY-AREMUKBSSA-N 0 3 431.584 3.833 40 0 IHABHN CCN(CC)CC(=O)N1CCc2nc(-c3ccncc3)nc(Oc3ccc(F)cc3)c2C1 ZINC000019526327 556784348 /nfs/dbraw/zinc/78/43/48/556784348.db2.gz SLACIRZUMIUHBA-UHFFFAOYSA-N 0 3 435.503 3.697 40 0 IHABHN COc1cccc([C@@H]2CN(C(=O)CN3CC[C@@H]4CCCC[C@@H]4C3)C[C@H]2c2csnn2)c1 ZINC000019566033 556806660 /nfs/dbraw/zinc/80/66/60/556806660.db2.gz CSKWEIGZPNEZTK-OZROYSPXSA-N 0 3 440.613 3.768 40 0 IHABHN CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2cccnc2NC)C1 ZINC000019592040 556827995 /nfs/dbraw/zinc/82/79/95/556827995.db2.gz GIXKLNDPYSIOQI-SANMLTNESA-N 0 3 429.568 3.756 40 0 IHABHN C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCC(C(=O)c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000008918013 556851282 /nfs/dbraw/zinc/85/12/82/556851282.db2.gz ATJMZTVSABUEJR-NKQVQVCLSA-N 0 3 437.580 3.866 40 0 IHABHN CCN(CC)CC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)C(=O)CC2 ZINC000019741694 556884541 /nfs/dbraw/zinc/88/45/41/556884541.db2.gz ZFNCIDQXHWAZJC-OAQYLSRUSA-N 0 3 441.620 3.650 40 0 IHABHN COc1ccc(NC(=O)c2cnc(C)nc2CC2CCN(Cc3ccccn3)CC2)cc1 ZINC000019758975 556902648 /nfs/dbraw/zinc/90/26/48/556902648.db2.gz OFANDMAWUQVJCV-UHFFFAOYSA-N 0 3 431.540 3.896 40 0 IHABHN O=C(NCCO)c1cc([C@H]2CCN(Cc3cnn(C4CCCCC4)c3)C2)nc2ccccc21 ZINC000019761727 556905214 /nfs/dbraw/zinc/90/52/14/556905214.db2.gz CKGYPRAULOEPIM-FQEVSTJZSA-N 0 3 447.583 3.648 40 0 IHABHN CN(C)c1nc2ccccc2cc1CN1CC[C@@H](c2cc(C(N)=O)c3ccccc3n2)C1 ZINC000019762094 556906251 /nfs/dbraw/zinc/90/62/51/556906251.db2.gz VXVPZCRURMTRND-GOSISDBHSA-N 0 3 425.536 3.937 40 0 IHABHN CC(=O)N1c2ccc([C@@H](O)CN3CCC[C@](O)(c4ccc(F)cc4)CC3)cc2C[C@@H]1C ZINC000072343041 556914892 /nfs/dbraw/zinc/91/48/92/556914892.db2.gz JAKBBXJVHXQKSW-WGXRPPGPSA-N 0 3 426.532 3.530 40 0 IHABHN O=C(CC1C(=O)N(CCCn2ccnc2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 ZINC000019819469 556922785 /nfs/dbraw/zinc/92/27/85/556922785.db2.gz AACXJWYHOBGLRE-HXUWFJFHSA-N 0 3 448.914 3.893 40 0 IHABHN O=C(CC1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 ZINC000019962124 556955560 /nfs/dbraw/zinc/95/55/60/556955560.db2.gz UOZRNGOPVMSWNC-HXUWFJFHSA-N 0 3 433.418 3.826 40 0 IHABHN O=C(CN1CC[C@H]2CCCC[C@H]2C1)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000257337758 557006240 /nfs/dbraw/zinc/00/62/40/557006240.db2.gz YUFIVQLRNWVUCL-GKBFQHABSA-N 0 3 428.577 3.899 40 0 IHABHN COc1ccc(-n2ccc(-c3cc(C(=O)N4CC[C@H](N(C)C)C4)c4ccccn34)n2)cc1 ZINC000096154804 557178673 /nfs/dbraw/zinc/17/86/73/557178673.db2.gz CFEBKOGDCOHRTH-IBGZPJMESA-N 0 3 429.524 3.577 40 0 IHABHN OC1(COc2ccc(F)cc2)CCN(Cc2cccc(OCCCn3cccn3)c2)CC1 ZINC000585271474 557213254 /nfs/dbraw/zinc/21/32/54/557213254.db2.gz ACHNYVOAGWUOCZ-UHFFFAOYSA-N 0 3 439.531 3.897 40 0 IHABHN CCN(c1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1)S(=O)(=O)CC ZINC000222405087 557338759 /nfs/dbraw/zinc/33/87/59/557338759.db2.gz RUHFLKMZOJQZSC-UHFFFAOYSA-N 0 3 445.585 3.588 40 0 IHABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)c(OC)c1 ZINC000101135363 557372204 /nfs/dbraw/zinc/37/22/04/557372204.db2.gz UBZIBLXCIWQIKU-VJBWXMMDSA-N 0 3 448.450 3.894 40 0 IHABHN CCC(C)(C)n1nnnc1[C@@H](c1ccc(OC)cc1)N1CCN(C2CCCCC2)CC1 ZINC000020140042 557515734 /nfs/dbraw/zinc/51/57/34/557515734.db2.gz IYHSVYSADCDNGI-JOCHJYFZSA-N 0 3 426.609 3.867 40 0 IHABHN COc1cccc2cc(CN3CC[C@@H](c4nc(N(C)C)ncc4-c4cncnc4)C3)oc21 ZINC000257211413 568670311 /nfs/dbraw/zinc/67/03/11/568670311.db2.gz BYTYBYOAXVRFKM-QGZVFWFLSA-N 0 3 430.512 3.744 40 0 IHABHN Cc1nc2cc(NC(=O)CN3C[C@H]4[C@@H](C3)CCC[C@@H]4Cc3cc(C)ncn3)ccc2n1C ZINC000257252150 568689671 /nfs/dbraw/zinc/68/96/71/568689671.db2.gz JTSQTQAFWOOVSX-WOIUINJBSA-N 0 3 432.572 3.509 40 0 IHABHN Cc1nc2cc([C@@H]3CCN(Cc4ccncc4)C3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257290171 568706701 /nfs/dbraw/zinc/70/67/01/568706701.db2.gz QBWIQBMLJFXCPC-HXUWFJFHSA-N 0 3 434.588 3.578 40 0 IHABHN O=C(CC1CCCC1)N1CCC[C@]2(CN(c3ncccn3)CC23CN(CC2CC2)C3)CC1 ZINC000306123404 568762764 /nfs/dbraw/zinc/76/27/64/568762764.db2.gz AMDJTSIJVHYHKP-RUZDIDTESA-N 0 3 437.632 3.588 40 0 IHABHN Cc1ccsc1CN1C[C@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccsc1)C2=O ZINC000306128625 568765380 /nfs/dbraw/zinc/76/53/80/568765380.db2.gz HGHWWYJQVDDHLF-OFNKIYASSA-N 0 3 439.606 3.910 40 0 IHABHN O=C1N(Cc2ccccc2)CCO[C@]12CN(Cc1ccc(F)cc1)C[C@@H]2c1cccnc1 ZINC000306130348 568766114 /nfs/dbraw/zinc/76/61/14/568766114.db2.gz JDBLHQKLMNNDSU-RSXGOPAZSA-N 0 3 431.511 3.618 40 0 IHABHN CC(C)n1nccc1[C@@H]1CN(C(c2ccccc2)c2ccccc2)C[C@]12OCCN(C)C2=O ZINC000306131207 568766739 /nfs/dbraw/zinc/76/67/39/568766739.db2.gz JYPSHEJIKUOVIO-HOFKKMOUSA-N 0 3 444.579 3.880 40 0 IHABHN COC(=O)N1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(Cc3ccsc3)CC2)C1 ZINC000306135052 568769051 /nfs/dbraw/zinc/76/90/51/568769051.db2.gz OGADCJLPPSEEQB-UHFFFAOYSA-N 0 3 441.532 3.719 40 0 IHABHN CC(C)NC(=O)c1nnc2n1C[C@H]1N(Cc3ccsc3)CC[C@@]1(c1ccccc1)CC2 ZINC000306139474 568771273 /nfs/dbraw/zinc/77/12/73/568771273.db2.gz SYFGYOLRUYMCCE-HYBUGGRVSA-N 0 3 435.597 3.637 40 0 IHABHN CN1CCC(NC(=O)c2nn3c(nc(-c4cccs4)cc3C(F)(F)F)c2Cl)CC1 ZINC000002791359 568789275 /nfs/dbraw/zinc/78/92/75/568789275.db2.gz ATHFOEZYZXJXSH-UHFFFAOYSA-N 0 3 443.882 3.954 40 0 IHABHN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCN5CCC[C@H]5C4)c3N2)cc1 ZINC000002755790 568859460 /nfs/dbraw/zinc/85/94/60/568859460.db2.gz GQFMRZHRGJJHOH-YTQUADARSA-N 0 3 433.478 3.772 40 0 IHABHN CN(CCO)C(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2ccnc3ccccc23)C1 ZINC000019702133 569231795 /nfs/dbraw/zinc/23/17/95/569231795.db2.gz XTFOOBVWOXOTQI-SFHVURJKSA-N 0 3 446.576 3.898 40 0 IHABHN COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2ccc(C)cc2OC)C1 ZINC000019702557 569232235 /nfs/dbraw/zinc/23/22/35/569232235.db2.gz XBYOHMCBCKRVFR-GOSISDBHSA-N 0 3 439.581 3.979 40 0 IHABHN CCOc1ccc(CN2[C@H](Cc3cccc(F)c3)C[C@@H]3NC(=O)CCCC[C@H]32)cc1CO ZINC000019713892 569235721 /nfs/dbraw/zinc/23/57/21/569235721.db2.gz RDTFDEWVBZAFMU-TZRRMPRUSA-N 0 3 440.559 3.961 40 0 IHABHN CN(c1cccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1)S(C)(=O)=O ZINC000038856549 569249068 /nfs/dbraw/zinc/24/90/68/569249068.db2.gz HYLXMSIEWGKOGN-KRWDZBQOSA-N 0 3 435.977 3.587 40 0 IHABHN N[C@@H](Cc1ccc(F)cc1)C(=O)NCC1CCC(c2ccnc(Nc3ccccn3)n2)CC1 ZINC000072380005 569250144 /nfs/dbraw/zinc/25/01/44/569250144.db2.gz BBVQRJGUBKOXEV-GRERDSQWSA-N 0 3 448.546 3.714 40 0 IHABHN OC[C@@H](O)CN1CCC(c2ccnc(Nc3ncc(-c4ccc(F)cc4)s3)c2)CC1 ZINC000205617355 569287658 /nfs/dbraw/zinc/28/76/58/569287658.db2.gz UAGKRYLHEPCETF-IBGZPJMESA-N 0 3 428.533 3.620 40 0 IHABHN COc1cccc(CN2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(C(N)=O)cc3)C2)c1 ZINC000019694595 569326645 /nfs/dbraw/zinc/32/66/45/569326645.db2.gz OBLOVOXTMTWFLG-OAQYLSRUSA-N 0 3 445.567 3.697 40 0 IHABHN CCN(CC)C(=O)[C@@H]1CCC[C@@H](NCc2ccc(C(F)(F)F)cc2)CN(C)C(=O)C1 ZINC000096113421 291367068 /nfs/dbraw/zinc/36/70/68/291367068.db2.gz KKSBGPNKNIZKLT-IEBWSBKVSA-N 0 3 427.511 3.681 40 0 biogenic,in-vitro IHABHN CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3cccs3)nn2C)cc1 ZINC000008635425 291367877 /nfs/dbraw/zinc/36/78/77/291367877.db2.gz ASIGHVLQRSMXML-TYPHKJRUSA-N 0 3 449.624 3.822 40 0 biogenic,in-vitro IHABHN CCOc1cc(CNCCSc2nnnn2-c2ccccc2)cc(Cl)c1OCC ZINC000022108022 520716339 /nfs/dbraw/zinc/71/63/39/520716339.db2.gz BLVONFYXVWYATA-UHFFFAOYSA-N 0 3 433.965 3.995 40 0 IHABHN COCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030939974 556515914 /nfs/dbraw/zinc/51/59/14/556515914.db2.gz LOLBPKNBWWNLDK-GOSISDBHSA-N 0 3 429.948 3.567 40 0 IHABHN O=C(NCc1ccc(CN2CCOCC2)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038830737 556621787 /nfs/dbraw/zinc/62/17/87/556621787.db2.gz IVGZEJHKQXDHTA-QHCPKHFHSA-N 0 3 442.003 3.701 40 0 IHABHN COc1cc(CNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc(OC)c1OC ZINC000044917442 556681927 /nfs/dbraw/zinc/68/19/27/556681927.db2.gz KZBAXTVNXNDUMV-GOSISDBHSA-N 0 3 432.948 3.894 40 0 IHABHN CCN1CCN(c2ccc(NC(=O)c3ccccc3I)cc2)CC1 ZINC000018892189 556691096 /nfs/dbraw/zinc/69/10/96/556691096.db2.gz GPXHBWGVNGVBME-UHFFFAOYSA-N 0 3 435.309 3.685 40 0 IHABHN C[C@H](C(=O)c1ccc(F)cc1)N1CCC(O)(CN2CCCC[C@@H]2c2cccnc2)CC1 ZINC000019080825 556695924 /nfs/dbraw/zinc/69/59/24/556695924.db2.gz CDHKEHPWTKXFLB-AUSIDOKSSA-N 0 3 425.548 3.846 40 0 IHABHN COc1ccc(C2(C(=O)N3CC[C@](O)(CN(C)Cc4ccc(F)cc4)C3)CCCC2)cc1 ZINC000257264397 556712979 /nfs/dbraw/zinc/71/29/79/556712979.db2.gz LUEDHGXBTTUZQQ-VWLOTQADSA-N 0 3 440.559 3.742 40 0 IHABHN O=C(CN1CCC[C@H](c2ccccc2)C1)N1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1 ZINC000019369949 556747486 /nfs/dbraw/zinc/74/74/86/556747486.db2.gz YTBFUVQUVUBMDQ-QHCPKHFHSA-N 0 3 448.611 3.555 40 0 IHABHN O[C@H](CN1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2)c1ccc2c(c1)OCCO2 ZINC000019376357 556752149 /nfs/dbraw/zinc/75/21/49/556752149.db2.gz NXMDEXAUBWOWBC-DHIUTWEWSA-N 0 3 447.531 3.995 40 0 IHABHN COc1ccc(CN2CC[C@@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c(OC)c1 ZINC000019552190 556795947 /nfs/dbraw/zinc/79/59/47/556795947.db2.gz FIVBLKSYHMHBOJ-SANMLTNESA-N 0 3 431.536 3.686 40 0 IHABHN COc1ccc(CN2CCC[C@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)c(F)c1 ZINC000019551749 556796026 /nfs/dbraw/zinc/79/60/26/556796026.db2.gz LPVKYIOYCPAORX-RUZDIDTESA-N 0 3 434.515 3.602 40 0 IHABHN COCc1ccccc1CNC(=O)c1ccc([C@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000019706085 556864059 /nfs/dbraw/zinc/86/40/59/556864059.db2.gz HOHXOUKJUAFKEB-QFIPXVFZSA-N 0 3 430.552 3.933 40 0 IHABHN COc1ccc(NC(=O)c2cnc(C)nc2CC2CCN(Cc3cccnc3)CC2)cc1 ZINC000019758969 556902524 /nfs/dbraw/zinc/90/25/24/556902524.db2.gz QTUNKYJHJZIGKW-UHFFFAOYSA-N 0 3 431.540 3.896 40 0 IHABHN C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)[C@@H](c4ccccc4)C4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000072398719 556970596 /nfs/dbraw/zinc/97/05/96/556970596.db2.gz NTNGDOTZDZICGB-URXFXBBRSA-N 0 3 448.611 3.828 40 0 IHABHN C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)[C@@H](c4ccccc4)C4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000072398719 556970599 /nfs/dbraw/zinc/97/05/99/556970599.db2.gz NTNGDOTZDZICGB-URXFXBBRSA-N 0 3 448.611 3.828 40 0 IHABHN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCN5CCC[C@@H]5C4)c3N2)cc1 ZINC000015931283 556985851 /nfs/dbraw/zinc/98/58/51/556985851.db2.gz GQFMRZHRGJJHOH-BHIYHBOVSA-N 0 3 433.478 3.772 40 0 IHABHN CCOc1ccc(CN2CCC(c3cc4c(ncn4C)c(N4CCOCC4)n3)CC2)cc1 ZINC000096155597 557179958 /nfs/dbraw/zinc/17/99/58/557179958.db2.gz XBSFKRLCUNBLRA-UHFFFAOYSA-N 0 3 435.572 3.583 40 0 IHABHN O=C(c1ccccc1CN1CCCC1)N1C[C@@H](c2ccc(F)cc2)[C@]2(C1)CCCC(=O)N2 ZINC000585261675 557195477 /nfs/dbraw/zinc/19/54/77/557195477.db2.gz AMCSCTWVXJSRER-JYFHCDHNSA-N 0 3 435.543 3.700 40 0 IHABHN CC1(C(=O)N2CC[C@@]3(CN(Cc4ccccc4)C(=O)O3)C2)CCN(Cc2ccccc2)CC1 ZINC000585261984 557197923 /nfs/dbraw/zinc/19/79/23/557197923.db2.gz FGOAEQFNQBRJDI-MHZLTWQESA-N 0 3 447.579 3.912 40 0 IHABHN CO[C@]1(COc2cccc(Cl)c2)COCCN(Cc2ccc(OCCN(C)C)cc2)C1 ZINC000585271723 557216150 /nfs/dbraw/zinc/21/61/50/557216150.db2.gz JKVXVIZZUOYQRK-DEOSSOPVSA-N 0 3 448.991 3.577 40 0 IHABHN Cc1ccn(CCOc2ccc(CN3CCC(O)(COc4ccccc4F)CC3)cc2)n1 ZINC000585274158 557218443 /nfs/dbraw/zinc/21/84/43/557218443.db2.gz SUDLYYRHMZZMND-UHFFFAOYSA-N 0 3 439.531 3.816 40 0 IHABHN Cc1cnn(CCOc2ccc(CN3CCC(O)(COc4ccccc4F)CC3)cc2)c1 ZINC000585274111 557218457 /nfs/dbraw/zinc/21/84/57/557218457.db2.gz RNPCPNIBIZNDJG-UHFFFAOYSA-N 0 3 439.531 3.816 40 0 IHABHN CC(=O)NCCCOc1ccc(CN2CCC[C@@](O)(COc3ccccc3F)CC2)cc1 ZINC000585281123 557220808 /nfs/dbraw/zinc/22/08/08/557220808.db2.gz WJBHIVOMHHYCHX-VWLOTQADSA-N 0 3 444.547 3.527 40 0 IHABHN Cc1cc(OC[C@]2(O)COCCN(C[C@@]3(O)CC[C@H](c4ccccc4)CC3)C2)ccc1F ZINC000585286781 557225666 /nfs/dbraw/zinc/22/56/66/557225666.db2.gz IRNKLBIQZWCNDU-ZSQFBXSQSA-N 0 3 443.559 3.665 40 0 IHABHN COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(OC)c(C)c2C)C1 ZINC000057774141 557264090 /nfs/dbraw/zinc/26/40/90/557264090.db2.gz VZBYVNVCVOECGM-BWKNWUBXSA-N 0 3 425.573 3.813 40 0 IHABHN COc1ccc(-c2noc(CN(C)C(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)n2)cc1 ZINC000222601365 557359724 /nfs/dbraw/zinc/35/97/24/557359724.db2.gz YFORRCQAVOMWHD-IBGZPJMESA-N 0 3 438.503 3.755 40 0 IHABHN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000223138268 557437806 /nfs/dbraw/zinc/43/78/06/557437806.db2.gz PPKFBGDQDBEHIY-BWAHOGKJSA-N 0 3 443.547 3.924 40 0 IHABHN CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 ZINC000223280079 557455286 /nfs/dbraw/zinc/45/52/86/557455286.db2.gz RLPIIBPRDLKKFZ-XZOQPEGZSA-N 0 3 435.597 3.805 40 0 IHABHN CC(=O)N[C@H](C)c1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1 ZINC000019219236 557497886 /nfs/dbraw/zinc/49/78/86/557497886.db2.gz MERJWJWNRNHRHK-QFWMQHCXSA-N 0 3 438.568 3.576 40 0 IHABHN CCCC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(C2CCCCC2)CC1 ZINC000020141373 557515992 /nfs/dbraw/zinc/51/59/92/557515992.db2.gz GKQWBTJJVDIPRO-QHCPKHFHSA-N 0 3 426.609 3.912 40 0 IHABHN CCCn1c2ccc(S(=O)(=O)NCc3ccccc3CN3CCCC3)cc2sc1=O ZINC000224805393 557653343 /nfs/dbraw/zinc/65/33/43/557653343.db2.gz CYFVTCKRTAGBIM-UHFFFAOYSA-N 0 3 445.610 3.547 40 0 IHABHN Cc1nnc(SCCNC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)[nH]1 ZINC000225907006 557790622 /nfs/dbraw/zinc/79/06/22/557790622.db2.gz RRQYAXITOVFULX-AWEZNQCLSA-N 0 3 428.389 3.540 40 0 IHABHN CCOC(=O)[C@H]1C[C@H]2C(Cl)=C[C@@]13[C@H]1Cc4ccc(OC)c5c4[C@@]3(CCN1C)[C@]2(C)O5 ZINC000253505133 560037598 /nfs/dbraw/zinc/03/75/98/560037598.db2.gz QFJCSTJNJZNCPB-UAGOWRJXSA-N 0 3 429.944 3.666 40 0 biogenic,in-vitro IHABHN COc1ccc2[nH]cc(/C=C(/NC(=O)c3ccccc3)C(=O)N(C)C3CCN(C)CC3)c2c1 ZINC000254818664 568644827 /nfs/dbraw/zinc/64/48/27/568644827.db2.gz JOIHOPNQIWFBBN-BUVRLJJBSA-N 0 3 446.551 3.500 40 0 IHABHN Cc1nc2cc([C@H]3CCN(Cc4cccnc4)C3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257234344 568681138 /nfs/dbraw/zinc/68/11/38/568681138.db2.gz GTCKRTKWWUGWHD-FQEVSTJZSA-N 0 3 434.588 3.578 40 0 IHABHN CCc1nccn1-c1cccc([C@H]2CCCN2C(=O)C2CCN(Cc3cccnc3)CC2)n1 ZINC000257253354 568690188 /nfs/dbraw/zinc/69/01/88/568690188.db2.gz JYNWPZVMYYRNMH-HSZRJFAPSA-N 0 3 444.583 3.800 40 0 IHABHN c1cc2c(C[C@@H]3COCCN(Cc4cccc(OCc5ccccn5)c4)C3)cccn2n1 ZINC000257286943 568705400 /nfs/dbraw/zinc/70/54/00/568705400.db2.gz PNSQHPHLAQKBJY-QFIPXVFZSA-N 0 3 428.536 3.999 40 0 IHABHN COc1ccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)Cn4nnc5ccccc54)C3)c2)cc1 ZINC000257293934 568708483 /nfs/dbraw/zinc/70/84/83/568708483.db2.gz QRTLWSIMQMKFAG-GOSISDBHSA-N 0 3 442.523 3.903 40 0 IHABHN Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 ZINC000257300756 568711652 /nfs/dbraw/zinc/71/16/52/568711652.db2.gz RVOWFYPKVBCULH-MRXNPFEDSA-N 0 3 429.521 3.575 40 0 IHABHN CCc1ccc(CN2CCC3(CC2)CN(C(=O)OC)Cc2nnc(-c4ccccc4)n23)o1 ZINC000306135830 568769191 /nfs/dbraw/zinc/76/91/91/568769191.db2.gz PCEHUNDTNSLRSW-UHFFFAOYSA-N 0 3 435.528 3.674 40 0 IHABHN COc1ccc(CN2CCC3(CC2)CN(C)C(=O)c2cnc(-c4ccccc4)nc23)cc1 ZINC000306137763 568770087 /nfs/dbraw/zinc/77/00/87/568770087.db2.gz RFKSQMDVKMKUIS-UHFFFAOYSA-N 0 3 428.536 3.772 40 0 IHABHN CC(C)NC(=O)c1nnc2n1C[C@@H]1N(Cc3ccsc3)CC[C@@]1(c1ccccc1)CC2 ZINC000306139473 568771242 /nfs/dbraw/zinc/77/12/42/568771242.db2.gz SYFGYOLRUYMCCE-GBXCKJPGSA-N 0 3 435.597 3.637 40 0 IHABHN CN(C)CCNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2ccncc2)n1 ZINC000329009635 568809313 /nfs/dbraw/zinc/80/93/13/568809313.db2.gz LWASAXRAUNBYKA-UHFFFAOYSA-N 0 3 436.869 3.772 40 0 IHABHN O=C(C1CC1)N1CCc2cc([C@H](O)CN3CCC[C@](O)(c4ccc(F)cc4)CC3)ccc21 ZINC000247763307 569206143 /nfs/dbraw/zinc/20/61/43/569206143.db2.gz IWAYUNFKXVQRMW-AOYPEHQESA-N 0 3 438.543 3.532 40 0 IHABHN CCOCc1cc(CN2CC[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)ccc1OC ZINC000019695059 569229564 /nfs/dbraw/zinc/22/95/64/569229564.db2.gz NXFXQAXIMIHMRP-IBGZPJMESA-N 0 3 448.571 3.534 40 0 IHABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242687465 569462116 /nfs/dbraw/zinc/46/21/16/569462116.db2.gz UGWFIKWKIQAQFF-WAOWUJCRSA-N 0 3 436.961 3.502 40 0 IHABHN Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2cccnc2)nc(NCCN(C)C)n1 ZINC000329064370 569584070 /nfs/dbraw/zinc/58/40/70/569584070.db2.gz XJNSUNNXWSRCQK-UHFFFAOYSA-N 0 3 432.450 4.463 40 0 IHABHN