smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(c1nc2sc3c(c2c(N2CC[C@@H]4NCCO[C@H]4C2)n1)CCCC3)N1CCCCC1 ZINC001164391750 718824561 /nfs/dbraw/zinc/82/45/61/718824561.db2.gz WXAZVKZFJQANEM-ROUUACIJSA-N 0 3 427.618 3.123 20 0 IGADHN CC(C)N(C)Cc1nn(C(F)(F)COC(=O)Nc2cccnc2Cl)c2c1CCNC2 ZINC001164679624 719650109 /nfs/dbraw/zinc/65/01/09/719650109.db2.gz IVGCINWFRKZTMJ-UHFFFAOYSA-N 0 3 442.898 3.215 20 0 IGADHN Fc1ccc(-c2nc(Cl)cc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164738905 720774487 /nfs/dbraw/zinc/77/44/87/720774487.db2.gz GYEXXMRSCRMSRJ-SJORKVTESA-N 0 3 426.883 3.068 20 0 IGADHN Fc1ccc(-c2ccc(Cl)nn2)c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164741875 720780596 /nfs/dbraw/zinc/78/05/96/720780596.db2.gz NGAYRIOUFHXUAL-JKSUJKDBSA-N 0 3 426.883 3.068 20 0 IGADHN CCOC(=O)c1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc2ccccc21 ZINC001164865630 721084456 /nfs/dbraw/zinc/08/44/56/721084456.db2.gz NSHABPHKAALRDO-PMACEKPBSA-N 0 3 432.524 3.286 20 0 IGADHN CCOC(=O)c1cnc(Cl)c(C)c1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164862857 721099327 /nfs/dbraw/zinc/09/93/27/721099327.db2.gz BGLUOQUMWXBJKJ-ROUUACIJSA-N 0 3 430.936 3.095 20 0 IGADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(Cl)ncc4C(=O)OC(C)(C)C)C[C@H]3C2)cn1 ZINC001164768342 721155233 /nfs/dbraw/zinc/15/52/33/721155233.db2.gz OHUVAKNEAJHPHV-IAGOWNOFSA-N 0 3 431.968 3.382 20 0 IGADHN COc1ccc(Oc2cc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc(C)n2)cc1 ZINC001164873578 721175221 /nfs/dbraw/zinc/17/52/21/721175221.db2.gz IQXCCFYJYOWXGA-REWPJTCUSA-N 0 3 447.539 3.461 20 0 IGADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc5c(Cl)ncnc54)CCN3C2)c1 ZINC001164911063 721562175 /nfs/dbraw/zinc/56/21/75/721562175.db2.gz YHFGKRWYOMIASH-GXTWGEPZSA-N 0 3 435.290 3.208 20 0 IGADHN CNC(=O)c1nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ccc1Cl ZINC001164904156 721712769 /nfs/dbraw/zinc/71/27/69/721712769.db2.gz AHWQHFIXHXBKAG-HXUWFJFHSA-N 0 3 435.906 3.227 20 0 IGADHN COc1cnc2c(c1)ncnc2N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164904256 721718819 /nfs/dbraw/zinc/71/88/19/721718819.db2.gz AYLPKIZDMCXPOH-OAQYLSRUSA-N 0 3 426.471 3.166 20 0 IGADHN FC1(F)CCN(c2cc(N3CCSCC3)ncn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164913103 721731692 /nfs/dbraw/zinc/73/16/92/721731692.db2.gz SSROITUTCQPGJH-OAQYLSRUSA-N 0 3 446.571 3.163 20 0 IGADHN CCOC(=O)/C=C\c1ccc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1 ZINC001164961651 722057651 /nfs/dbraw/zinc/05/76/51/722057651.db2.gz NQKDRLPNTYICJU-XQRVVYSFSA-N 0 3 436.556 3.172 20 0 IGADHN FC(F)(c1cc(Cl)nc(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983999 722101601 /nfs/dbraw/zinc/10/16/01/722101601.db2.gz RMQGEWAMBMGMQP-GJZGRUSLSA-N 0 3 444.313 3.451 20 0 IGADHN COCc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001164976346 722102654 /nfs/dbraw/zinc/10/26/54/722102654.db2.gz CQJQERGSVJWJPC-ISKFKSNPSA-N 0 3 445.567 3.412 20 0 IGADHN CC1(C)OCc2c1nc(Cl)nc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983219 722108871 /nfs/dbraw/zinc/10/88/71/722108871.db2.gz YNDYVIPFEPJWCZ-WMZOPIPTSA-N 0 3 429.952 3.018 20 0 IGADHN c1cncc(CN2CCO[C@H]3CN(c4nccnc4C4SCCCS4)CC[C@@H]3C2)c1 ZINC001164979768 722109147 /nfs/dbraw/zinc/10/91/47/722109147.db2.gz PVJBUINXICLJEC-MOPGFXCFSA-N 0 3 443.642 3.468 20 0 IGADHN c1cncc(CN2CCO[C@H]3CN(c4nccnc4C4SCCCS4)CC[C@H]3C2)c1 ZINC001164979769 722109335 /nfs/dbraw/zinc/10/93/35/722109335.db2.gz PVJBUINXICLJEC-OALUTQOASA-N 0 3 443.642 3.468 20 0 IGADHN COc1ccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c(Cl)nc2c1 ZINC001164975705 722111050 /nfs/dbraw/zinc/11/10/50/722111050.db2.gz KKJBLZMXLCKAOP-UTKZUKDTSA-N 0 3 439.947 3.414 20 0 IGADHN COC(=O)c1ccc2ccnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164979226 722111224 /nfs/dbraw/zinc/11/12/24/722111224.db2.gz PQWABNJBLSFCFN-GGAORHGYSA-N 0 3 432.524 3.144 20 0 IGADHN COc1cc2ccnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2cc1OC ZINC001164980563 722122826 /nfs/dbraw/zinc/12/28/26/722122826.db2.gz RVMYKNUHCLZGSO-RDPSFJRHSA-N 0 3 434.540 3.374 20 0 IGADHN COc1ccc(-c2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ncn2)cc1 ZINC001164975233 722144563 /nfs/dbraw/zinc/14/45/63/722144563.db2.gz GDGHMLCIXPJPPQ-URXFXBBRSA-N 0 3 431.540 3.275 20 0 IGADHN COC(=O)c1cc2ccccc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164980257 722144822 /nfs/dbraw/zinc/14/48/22/722144822.db2.gz MFZYUVPKVRFQJX-NZQKXSOJSA-N 0 3 432.524 3.144 20 0 IGADHN c1cncc(CN2CCO[C@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CC[C@@H]3C2)c1 ZINC001164985497 722149525 /nfs/dbraw/zinc/14/95/25/722149525.db2.gz ZQZGBWZKPWXCFG-QPPBQGQZSA-N 0 3 442.567 3.150 20 0 IGADHN COC(=O)c1cccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ccc21 ZINC001164977099 722149746 /nfs/dbraw/zinc/14/97/46/722149746.db2.gz ISHDQROOVMDSNJ-XXBNENTESA-N 0 3 432.524 3.144 20 0 IGADHN Cc1nc(CN2CCO[C@@H]3CCN(c4ncccc4CN4CCCC4)CC[C@@H]32)cs1 ZINC001164990904 722186489 /nfs/dbraw/zinc/18/64/89/722186489.db2.gz SIBCNIBHPPQXMF-FCHUYYIVSA-N 0 3 427.618 3.312 20 0 IGADHN C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC[C@@H]5NCCO[C@@H]5C4)c23)C1 ZINC001164391153 718824467 /nfs/dbraw/zinc/82/44/67/718824467.db2.gz SWSYXEQBIKXTKG-NZSAHSFTSA-N 0 3 441.645 3.369 20 0 IGADHN CC[C@H]1C(=O)N(C)c2cnc(N3CCN(CC(C)C)CC3)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001164657558 719336014 /nfs/dbraw/zinc/33/60/14/719336014.db2.gz RKUKGDWFBLPGDS-SJORKVTESA-N 0 3 436.551 3.004 20 0 IGADHN c1ccc(N2CCN(c3cc(N4CC[C@@H]5[C@H]4CCN5Cc4cccnc4)ncn3)CC2)cc1 ZINC001164730084 720460808 /nfs/dbraw/zinc/46/08/08/720460808.db2.gz HQQCJQFGVPEYCW-DNQXCXABSA-N 0 3 441.583 3.051 20 0 IGADHN c1cncc(CN2CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccc(N4CCOCC4)cc3)nn2)c1 ZINC001164723064 720466347 /nfs/dbraw/zinc/46/63/47/720466347.db2.gz BTWCYJWQWVPZAL-DQEYMECFSA-N 0 3 442.567 3.228 20 0 IGADHN c1cncc(CO[C@H]2C[C@@H]3CN(c4nccnc4C4SCCCS4)CCN3C2)c1 ZINC001164868215 721070890 /nfs/dbraw/zinc/07/08/90/721070890.db2.gz NQSXLJHQJUYLRQ-MSOLQXFVSA-N 0 3 429.615 3.220 20 0 IGADHN CCOc1cc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2cc1OCC ZINC001164866936 721090417 /nfs/dbraw/zinc/09/04/17/721090417.db2.gz VGVTYOGEGONCKS-VQTJNVASSA-N 0 3 449.555 3.302 20 0 IGADHN COc1ccc2nc(Cl)cc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2n1 ZINC001164865180 721096620 /nfs/dbraw/zinc/09/66/20/721096620.db2.gz JKXSPCCIGPYUOI-IRXDYDNUSA-N 0 3 425.920 3.167 20 0 IGADHN CCN(CC)C(=O)c1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164867224 721099921 /nfs/dbraw/zinc/09/99/21/721099921.db2.gz XAZYTGVYQRQDBJ-WOJBJXKFSA-N 0 3 443.979 3.092 20 0 IGADHN c1ccc2nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c(N3CCCC3)nc2c1 ZINC001164878350 721136525 /nfs/dbraw/zinc/13/65/25/721136525.db2.gz PXKQGPQQSFBERQ-RTWAWAEBSA-N 0 3 430.556 3.105 20 0 IGADHN CCOC(=O)c1cc2c(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164773552 721159173 /nfs/dbraw/zinc/15/91/73/721159173.db2.gz YIPYZFWXMQGRNR-RBUKOAKNSA-N 0 3 436.560 3.048 20 0 IGADHN CC(C)(C)OC(=O)Nc1nccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164902092 721525372 /nfs/dbraw/zinc/52/53/72/721525372.db2.gz ZDDWXKMPKORBCQ-SJLPKXTDSA-N 0 3 429.496 3.305 20 0 IGADHN CCOC(=O)c1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc1OCC ZINC001164911276 721532245 /nfs/dbraw/zinc/53/22/45/721532245.db2.gz VYHRSJYHRKNWLA-HKUYNNGSSA-N 0 3 429.492 3.138 20 0 IGADHN CCOC(=O)c1ccc2ncnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001164912061 721534108 /nfs/dbraw/zinc/53/41/08/721534108.db2.gz YMJHTHDGYPJDGZ-UYAOXDASSA-N 0 3 436.487 3.288 20 0 IGADHN C[C@@H]1CCCN(C(=O)c2ccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc2)C1 ZINC001164910306 721552817 /nfs/dbraw/zinc/55/28/17/721552817.db2.gz WGAUQBGVDGXOCR-JZWVFAODSA-N 0 3 438.547 3.435 20 0 IGADHN CC1CCN(C(=O)c2ccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc2)CC1 ZINC001164908578 721553117 /nfs/dbraw/zinc/55/31/17/721553117.db2.gz QMOUICJBLRZCLN-GMAHTHKFSA-N 0 3 438.547 3.435 20 0 IGADHN C[C@@H]1CN(c2ccc(CN3CCCC3)cn2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165007894 721691977 /nfs/dbraw/zinc/69/19/77/721691977.db2.gz GMAJSRZJQRGING-WPWBMXPQSA-N 0 3 435.572 3.475 20 0 IGADHN COC(=O)c1cc2c[nH]c(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)cc-2n1 ZINC001164907425 721719066 /nfs/dbraw/zinc/71/90/66/721719066.db2.gz RXKTYDBPJQOMSU-QFIPXVFZSA-N 0 3 441.482 3.482 20 0 IGADHN CCOC(=O)c1cnc2cc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)[nH]cc1-2 ZINC001164961485 722059504 /nfs/dbraw/zinc/05/95/04/722059504.db2.gz KTDVWGJSWOBYER-UHFFFAOYSA-N 0 3 449.555 3.254 20 0 IGADHN O=C1[C@@H]2CCN(c3ccc(CN4CCCC4)cn3)C[C@H]2OCCN1Cc1cccc(F)c1 ZINC001164968822 722082358 /nfs/dbraw/zinc/08/23/58/722082358.db2.gz HSUHVARNRVCEGW-DHIUTWEWSA-N 0 3 438.547 3.070 20 0 IGADHN O=C1[C@@H]2CCN(c3ncccc3CN3CCCC3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001164969995 722082646 /nfs/dbraw/zinc/08/26/46/722082646.db2.gz STEWAUXLUJKJBS-PKTZIBPZSA-N 0 3 438.547 3.070 20 0 IGADHN COc1cc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc(Cl)n1 ZINC001164984684 722103526 /nfs/dbraw/zinc/10/35/26/722103526.db2.gz TYWSDEIRVPTOJG-SJLPKXTDSA-N 0 3 438.906 3.411 20 0 IGADHN CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983102 722109100 /nfs/dbraw/zinc/10/91/00/722109100.db2.gz YHCFXUZTSKJBQY-ICSRJNTNSA-N 0 3 444.963 3.342 20 0 IGADHN COc1cc2c(cc1Cl)ncnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981995 722119691 /nfs/dbraw/zinc/11/96/91/722119691.db2.gz VPYILDWYERGWRF-HTAPYJJXSA-N 0 3 439.947 3.414 20 0 IGADHN CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973842 722124671 /nfs/dbraw/zinc/12/46/71/722124671.db2.gz HLWQNXRALPMNJY-ICSRJNTNSA-N 0 3 444.963 3.342 20 0 IGADHN CCOC(=O)c1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl ZINC001164974186 722135054 /nfs/dbraw/zinc/13/50/54/722135054.db2.gz CLLAGKREDGPCNQ-PKOBYXMFSA-N 0 3 430.936 3.034 20 0 IGADHN FC(F)(c1c2c(nnc1Cl)CCC2)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982717 722142842 /nfs/dbraw/zinc/14/28/42/722142842.db2.gz SETMZUXMSALMOM-VQIMIIECSA-N 0 3 449.933 3.286 20 0 IGADHN COc1ccccc1-c1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164980885 722144461 /nfs/dbraw/zinc/14/44/61/722144461.db2.gz NHPJZEXDYSHTPV-RDPSFJRHSA-N 0 3 431.540 3.275 20 0 IGADHN COc1cc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ccc2c(OC)c1 ZINC001164976365 722153352 /nfs/dbraw/zinc/15/33/52/722153352.db2.gz WTGSGRYNXYZDEJ-NTKDMRAZSA-N 0 3 434.540 3.374 20 0 IGADHN CC(C)NC(=O)c1ccc2c(c1)C1(CCN(c3ccc(CN4CCCC4)cn3)CC1)C(=O)N2 ZINC001164990046 722187954 /nfs/dbraw/zinc/18/79/54/722187954.db2.gz JDOBWZDVCRPSIS-UHFFFAOYSA-N 0 3 447.583 3.306 20 0 IGADHN c1ccc(CN2CCN(CCCNc3ccc4nnc(-c5ccccc5)n4n3)CC2)cc1 ZINC000020355789 563024633 /nfs/dbraw/zinc/02/46/33/563024633.db2.gz JQOJWONYNBKTTE-UHFFFAOYSA-N 0 3 427.556 3.411 20 0 IGADHN CNC(=O)CN1CCCC12CCN(c1nc(-c3ccccc3)nc(-c3ccccc3)n1)CC2 ZINC001164682147 719715146 /nfs/dbraw/zinc/71/51/46/719715146.db2.gz BJBZRKNICVICHQ-UHFFFAOYSA-N 0 3 442.567 3.386 20 0 IGADHN COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164838648 720736305 /nfs/dbraw/zinc/73/63/05/720736305.db2.gz VEQWHLYAKPCEPC-UHFFFAOYSA-N 0 3 439.894 3.315 20 0 IGADHN COc1cc2c(cc1F)cc(Cl)nc2N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164748233 720807248 /nfs/dbraw/zinc/80/72/48/720807248.db2.gz QCFMPXVWWZCYEM-GJZGRUSLSA-N 0 3 429.883 3.168 20 0 IGADHN CCOC(=O)c1c(Cl)cc(C)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869915 721050060 /nfs/dbraw/zinc/05/00/60/721050060.db2.gz UICNZFCOLOSGFS-ZWKOTPCHSA-N 0 3 430.936 3.095 20 0 IGADHN COCc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001164865855 721052130 /nfs/dbraw/zinc/05/21/30/721052130.db2.gz APVCQYMHTWBYLB-DHIUTWEWSA-N 0 3 431.540 3.165 20 0 IGADHN CCOC(=O)c1c(C)cc(Cl)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871477 721073123 /nfs/dbraw/zinc/07/31/23/721073123.db2.gz YYZSWKMLQMFWGW-ZWKOTPCHSA-N 0 3 430.936 3.095 20 0 IGADHN CCOC(=O)c1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1C ZINC001164867711 721085569 /nfs/dbraw/zinc/08/55/69/721085569.db2.gz ZSQNPRNJSJNGCQ-MSOLQXFVSA-N 0 3 430.936 3.095 20 0 IGADHN CCOC(=O)c1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1C ZINC001164867720 721085865 /nfs/dbraw/zinc/08/58/65/721085865.db2.gz ZSQNPRNJSJNGCQ-ZWKOTPCHSA-N 0 3 430.936 3.095 20 0 IGADHN COc1ccc2nc(Cl)cc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2n1 ZINC001164865181 721095915 /nfs/dbraw/zinc/09/59/15/721095915.db2.gz JKXSPCCIGPYUOI-SJORKVTESA-N 0 3 425.920 3.167 20 0 IGADHN CCN(CC)C(=O)c1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164867219 721101592 /nfs/dbraw/zinc/10/15/92/721101592.db2.gz XAZYTGVYQRQDBJ-PMACEKPBSA-N 0 3 443.979 3.092 20 0 IGADHN CC(C)(C)OC(=O)Nc1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164873611 721134601 /nfs/dbraw/zinc/13/46/01/721134601.db2.gz IYVINUVDWGGSQR-VQTJNVASSA-N 0 3 425.533 3.303 20 0 IGADHN CCOc1cc2ncnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2cc1OCC ZINC001164763390 721134904 /nfs/dbraw/zinc/13/49/04/721134904.db2.gz 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Cn1cc(CN2CC[C@H]3CN(c4ncnc5c(-c6ccccc6)nsc54)C[C@@H]3C2)cn1 ZINC001164772383 721204144 /nfs/dbraw/zinc/20/41/44/721204144.db2.gz UKDSCWVFVFXUQR-OALUTQOASA-N 0 3 431.569 3.445 20 0 IGADHN CN(Cc1ccc(N2CC[C@@H]3CN(C(=O)c4ccsc4)CCO[C@H]3C2)nc1)C1CC1 ZINC001164876604 721299385 /nfs/dbraw/zinc/29/93/85/721299385.db2.gz JJAWOZJPZWEULU-NQIIRXRSSA-N 0 3 426.586 3.105 20 0 IGADHN Cc1nc(COC[C@H]2Cn3nccc3CN(c3ncccc3CN3CCCC3)C2)cs1 ZINC001164877478 721332496 /nfs/dbraw/zinc/33/24/96/721332496.db2.gz UKYGDNQPBYMXOU-LJQANCHMSA-N 0 3 438.601 3.492 20 0 IGADHN CCOC(=O)c1cnc(C2CC2)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908256 721534151 /nfs/dbraw/zinc/53/41/51/721534151.db2.gz PPABFFFXUPWEFZ-HKUYNNGSSA-N 0 3 426.492 3.012 20 0 IGADHN CCOC(=O)c1cc2ncnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2s1 ZINC001164907290 721544804 /nfs/dbraw/zinc/54/48/04/721544804.db2.gz MVARGZDGCPPVAJ-DOTOQJQBSA-N 0 3 442.516 3.349 20 0 IGADHN CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906369 721547048 /nfs/dbraw/zinc/54/70/48/721547048.db2.gz KFMIFALPYXHFNJ-AZUAARDMSA-N 0 3 442.535 3.040 20 0 IGADHN CC1CCN(C(=O)c2cccnc2N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)CC1 ZINC001164907253 721553131 /nfs/dbraw/zinc/55/31/31/721553131.db2.gz NLFZXEDTHDBYEZ-RBBKRZOGSA-N 0 3 438.547 3.435 20 0 IGADHN CC1CCN(C(=O)c2cccnc2N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1 ZINC001164907252 721553648 /nfs/dbraw/zinc/55/36/48/721553648.db2.gz NLFZXEDTHDBYEZ-IRLDBZIGSA-N 0 3 438.547 3.435 20 0 IGADHN NC(=O)c1cc2ccccc2c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164909875 721728907 /nfs/dbraw/zinc/72/89/07/721728907.db2.gz FGSJQUFZRVKTTC-HSZRJFAPSA-N 0 3 437.494 3.466 20 0 IGADHN FC1(F)CCN(c2cc(N3CCSCC3)ncn2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164913102 721732110 /nfs/dbraw/zinc/73/21/10/721732110.db2.gz SSROITUTCQPGJH-NRFANRHFSA-N 0 3 446.571 3.163 20 0 IGADHN CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)c12 ZINC001164941046 721923524 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443.551 3.456 20 0 IGADHN c1ccc(COc2cnnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2)cc1 ZINC001164982677 722125744 /nfs/dbraw/zinc/12/57/44/722125744.db2.gz XREBYSKMEQQDAP-VWNXMTODSA-N 0 3 431.540 3.178 20 0 IGADHN CNC(=O)CN1CCCC12CCN(c1ccc(-c3ccc(N4CCCCC4)cc3)nn1)CC2 ZINC001164689609 719749954 /nfs/dbraw/zinc/74/99/54/719749954.db2.gz JDMGDQIHUZNMQT-UHFFFAOYSA-N 0 3 448.615 3.315 20 0 IGADHN COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCC2(CCCN2Cc2csc(C)n2)CC1 ZINC001164690860 719805506 /nfs/dbraw/zinc/80/55/06/719805506.db2.gz BFWMKEOLAHPCSQ-UHFFFAOYSA-N 0 3 426.546 3.096 20 0 IGADHN COCc1nn(-c2nc(CN3CCC(C)CC3)nc3sc4c(c32)CCC4)c2c1CNC2 ZINC001164715349 720079133 /nfs/dbraw/zinc/07/91/33/720079133.db2.gz ZLZTUMNKAREZRS-UHFFFAOYSA-N 0 3 438.601 3.347 20 0 IGADHN CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c12 ZINC001164721743 720331161 /nfs/dbraw/zinc/33/11/61/720331161.db2.gz DGRDENDXLMIEGJ-OALUTQOASA-N 0 3 442.523 3.307 20 0 IGADHN Fc1ccccc1Cn1cnc2c1ncnc2N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164731014 720401881 /nfs/dbraw/zinc/40/18/81/720401881.db2.gz XZVDWJWULUJWRW-SFTDATJTSA-N 0 3 429.503 3.262 20 0 IGADHN c1nc2n(c1CN1CCCC1)CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)CC2 ZINC001164732630 720557963 /nfs/dbraw/zinc/55/79/63/720557963.db2.gz AWBHAQOKZKULRX-UHFFFAOYSA-N 0 3 442.611 3.495 20 0 IGADHN Fc1ccc(Cn2ccc3c2ncnc3N2CCc3ncc(CN4CCCC4)n3CC2)cc1 ZINC001164730523 720569075 /nfs/dbraw/zinc/56/90/75/720569075.db2.gz XNOYMEWOQSIKIQ-UHFFFAOYSA-N 0 3 445.546 3.474 20 0 IGADHN CCOC(=O)c1cc2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2[n-]1 ZINC001164840145 720572228 /nfs/dbraw/zinc/57/22/28/720572228.db2.gz RTSPFWZUXJTEIE-SVFBPWRDSA-N 0 3 436.560 3.314 20 0 IGADHN CCOC(=O)c1cc2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc2[n-]1 ZINC001164840145 720572237 /nfs/dbraw/zinc/57/22/37/720572237.db2.gz RTSPFWZUXJTEIE-SVFBPWRDSA-N 0 3 436.560 3.314 20 0 IGADHN c1sc2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1-c1ccccc1 ZINC001164744401 720657716 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3 431.569 3.445 20 0 IGADHN Cc1nc(COC[C@@H]2Cn3nccc3CN(c3ccc(CN4CCCC4)cn3)C2)cs1 ZINC001164876895 721332559 /nfs/dbraw/zinc/33/25/59/721332559.db2.gz RMKFRDUVWPSRKB-FQEVSTJZSA-N 0 3 438.601 3.492 20 0 IGADHN CC(C)(C)OC(=O)Nc1nccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164902090 721525325 /nfs/dbraw/zinc/52/53/25/721525325.db2.gz ZDDWXKMPKORBCQ-AEFFLSMTSA-N 0 3 429.496 3.305 20 0 IGADHN CCOC(=O)c1ccc2ncnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001164912059 721534071 /nfs/dbraw/zinc/53/40/71/721534071.db2.gz YMJHTHDGYPJDGZ-QUCCMNQESA-N 0 3 436.487 3.288 20 0 IGADHN CCOC(=O)Cc1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164904976 721704951 /nfs/dbraw/zinc/70/49/51/721704951.db2.gz GEBWWVILFMZYMN-JOCHJYFZSA-N 0 3 430.499 3.320 20 0 IGADHN O=c1cc2[nH]c(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c(Cl)cc-2[nH]1 ZINC001164907676 721706267 /nfs/dbraw/zinc/70/62/67/721706267.db2.gz SMICHDZRVJKEOF-FQEVSTJZSA-N 0 3 433.890 3.362 20 0 IGADHN O=c1cc2[nH]c(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c(Cl)cc-2[nH]1 ZINC001164907679 721707380 /nfs/dbraw/zinc/70/73/80/721707380.db2.gz SMICHDZRVJKEOF-HXUWFJFHSA-N 0 3 433.890 3.362 20 0 IGADHN FC1(F)CCN(c2ncnc3c2ncn3C2CC2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164912184 721725454 /nfs/dbraw/zinc/72/54/54/721725454.db2.gz MLMBUHAQHBFCHQ-OAQYLSRUSA-N 0 3 425.487 3.294 20 0 IGADHN CN1CCc2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2C1 ZINC001164912572 721735953 /nfs/dbraw/zinc/73/59/53/721735953.db2.gz NUXDTZDTYWOSER-OAQYLSRUSA-N 0 3 448.949 3.251 20 0 IGADHN CN(Cc1ccc(N2CC[C@@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@H]3C2)nc1)C1CC1 ZINC001164968580 722082508 /nfs/dbraw/zinc/08/25/08/722082508.db2.gz DUPJVUGVRZHIOX-GOTSBHOMSA-N 0 3 438.547 3.069 20 0 IGADHN CN(Cc1ccc(N2CC[C@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@@H]3C2)nc1)C1CC1 ZINC001164968579 722082530 /nfs/dbraw/zinc/08/25/30/722082530.db2.gz DUPJVUGVRZHIOX-DHIUTWEWSA-N 0 3 438.547 3.069 20 0 IGADHN Clc1c[nH]c2nc(Cl)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c12 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Cc1cccc(CN2C(=O)COC3(CCN(c4ncccc4CN4CCCC4)CC3)[C@H]2C)n1 ZINC001164428253 718951652 /nfs/dbraw/zinc/95/16/52/718951652.db2.gz ILBIKGBPTRTHNV-OAQYLSRUSA-N 0 3 449.599 3.167 20 0 IGADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)COc3ccnc(Cl)c3)CC2)CC1 ZINC001164614063 719026144 /nfs/dbraw/zinc/02/61/44/719026144.db2.gz MGTBRIZEVJBNDK-UHFFFAOYSA-N 0 3 431.911 3.446 20 0 IGADHN COC(=O)[C@@H]1CNCCN1C(F)(F)c1ccccc1-c1nc(Cl)c2ccccc2n1 ZINC001164629463 719137373 /nfs/dbraw/zinc/13/73/73/719137373.db2.gz BJBGISFRBFTOEH-KRWDZBQOSA-N 0 3 432.858 3.446 20 0 IGADHN Cc1ccc(S(=O)(=O)n2ccc3c2nc(Cl)nc3N2C[C@@H](C)N(C)C[C@@H]2C)cc1 ZINC001164632942 719170951 /nfs/dbraw/zinc/17/09/51/719170951.db2.gz GAIBVQVZWCFKFB-CABCVRRESA-N 0 3 433.965 3.159 20 0 IGADHN CC(C)N(C)Cc1nn(C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)c2c1CCNC2 ZINC001164680520 719643102 /nfs/dbraw/zinc/64/31/02/719643102.db2.gz TZDKVOAAJRAECD-UHFFFAOYSA-N 0 3 447.921 3.472 20 0 IGADHN CNC(=O)CN1CCCC12CCN(c1nc3ccccc3nc1N1CCCC[C@@H]1C)CC2 ZINC001164689545 719740049 /nfs/dbraw/zinc/74/00/49/719740049.db2.gz HGOFRGWTNYUCTF-IBGZPJMESA-N 0 3 436.604 3.189 20 0 IGADHN Clc1nc2c(Cl)nccc2c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164871039 721137220 /nfs/dbraw/zinc/13/72/20/721137220.db2.gz DARPSMGLARGFJO-LSDHHAIUSA-N 0 3 431.327 3.206 20 0 IGADHN CCOC(=O)c1cc2c(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164773555 721159218 /nfs/dbraw/zinc/15/92/18/721159218.db2.gz YIPYZFWXMQGRNR-RTBURBONSA-N 0 3 436.560 3.048 20 0 IGADHN CCOC(=O)c1cc2ncnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2s1 ZINC001164907291 721545284 /nfs/dbraw/zinc/54/52/84/721545284.db2.gz MVARGZDGCPPVAJ-NVXWUHKLSA-N 0 3 442.516 3.349 20 0 IGADHN COC(=O)c1c(Cl)cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1OC ZINC001164909354 721549299 /nfs/dbraw/zinc/54/92/99/721549299.db2.gz RQWZRFPKQKMYAX-GOEBONIOSA-N 0 3 435.883 3.011 20 0 IGADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CCN3C2)c1 ZINC001164910911 721553975 /nfs/dbraw/zinc/55/39/75/721553975.db2.gz XNFHWVRXTPIAKM-TZIWHRDSSA-N 0 3 448.498 3.396 20 0 IGADHN Cc1cn(-c2ccc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nn2)cn1 ZINC001164906498 721716230 /nfs/dbraw/zinc/71/62/30/721716230.db2.gz MJIZZYODMMQCGO-NRFANRHFSA-N 0 3 425.487 3.103 20 0 IGADHN Nc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1 ZINC001164962217 722057274 /nfs/dbraw/zinc/05/72/74/722057274.db2.gz BMPSZLFPSBOJAL-UHFFFAOYSA-N 0 3 437.922 3.376 20 0 IGADHN COC(OC)c1cc(C)cnc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963393 722058189 /nfs/dbraw/zinc/05/81/89/722058189.db2.gz YFFPNGXOJKATJT-UHFFFAOYSA-N 0 3 426.561 3.195 20 0 IGADHN COc1cccc2c1nc(Cl)nc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972533 722116295 /nfs/dbraw/zinc/11/62/95/722116295.db2.gz FYCXZNWDCOWFQO-PXNSSMCTSA-N 0 3 439.947 3.414 20 0 IGADHN COc1ccc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164975585 722125197 /nfs/dbraw/zinc/12/51/97/722125197.db2.gz JXCZLSNJWSIGIU-AEFFLSMTSA-N 0 3 438.906 3.411 20 0 IGADHN COc1cccc(Oc2cncc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164977102 722131249 /nfs/dbraw/zinc/13/12/49/722131249.db2.gz ITAUVXURQIRPFN-NZQKXSOJSA-N 0 3 447.539 3.400 20 0 IGADHN COc1ccccc1-c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164985090 722141893 /nfs/dbraw/zinc/14/18/93/722141893.db2.gz ZELPULJERNHFIM-YKSBVNFPSA-N 0 3 431.540 3.275 20 0 IGADHN c1cncc(CN2CCO[C@@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CC[C@H]3C2)c1 ZINC001164984577 722149185 /nfs/dbraw/zinc/14/91/85/722149185.db2.gz XEFNXLPIMXQQDI-XUZZJYLKSA-N 0 3 442.567 3.150 20 0 IGADHN CNC(=O)CN1CCCC12CCN(c1cnc(Cl)nc1Oc1ccc(C)cc1)CC2 ZINC001164690159 719753189 /nfs/dbraw/zinc/75/31/89/719753189.db2.gz UQQBFPTXDNXKHQ-UHFFFAOYSA-N 0 3 429.952 3.412 20 0 IGADHN CNC(=O)CN1CCCC12CCN(c1cnc(Cl)nc1Oc1ccccc1F)CC2 ZINC001164690306 719753719 /nfs/dbraw/zinc/75/37/19/719753719.db2.gz ZAXUKKBFEXYPGI-UHFFFAOYSA-N 0 3 433.915 3.242 20 0 IGADHN CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c12 ZINC001164721746 720332102 /nfs/dbraw/zinc/33/21/02/720332102.db2.gz DGRDENDXLMIEGJ-RTBURBONSA-N 0 3 442.523 3.307 20 0 IGADHN Fc1ccccc1Cn1cnc2c1ncnc2N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164731013 720402250 /nfs/dbraw/zinc/40/22/50/720402250.db2.gz XZVDWJWULUJWRW-RTWAWAEBSA-N 0 3 429.503 3.262 20 0 IGADHN Cc1cc2nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nc(N3CCOCC3)c2s1 ZINC001164731003 720404006 /nfs/dbraw/zinc/40/40/06/720404006.db2.gz XWNIZTIDFGFTLJ-PMACEKPBSA-N 0 3 436.585 3.085 20 0 IGADHN c1ccc(Cc2nnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c3ccccc23)cc1 ZINC001164742870 720753704 /nfs/dbraw/zinc/75/37/04/720753704.db2.gz OQSAQDWPZOIRPV-SFTDATJTSA-N 0 3 438.535 3.353 20 0 IGADHN Cc1nc2sc3c(c2c(N2CCN4C[C@H](Oc5cncnc5)C[C@H]4C2)n1)CCCCC3 ZINC001164737454 720764858 /nfs/dbraw/zinc/76/48/58/720764858.db2.gz BTNAOIVIGFNBPN-DLBZAZTESA-N 0 3 436.585 3.401 20 0 IGADHN CC(C)(c1ccnc(Cl)c1)N1CC[C@@H]2OCC[C@H](C(=O)NCc3ccccn3)[C@H]2C1 ZINC001164760084 721023385 /nfs/dbraw/zinc/02/33/85/721023385.db2.gz NUGJHBREKKCZRS-ZCNNSNEGSA-N 0 3 428.964 3.409 20 0 IGADHN O=C(OCc1ccccc1)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164871101 721155928 /nfs/dbraw/zinc/15/59/28/721155928.db2.gz DRFMRZANGYRYOT-BJKOFHAPSA-N 0 3 444.535 3.313 20 0 IGADHN COc1ccc(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)c(OC)c1 ZINC001164879103 721161920 /nfs/dbraw/zinc/16/19/20/721161920.db2.gz RTSRKVBWWNGCIH-CTNGQTDRSA-N 0 3 447.539 3.036 20 0 IGADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)ccc4CN4CCCC4)C3)O2)CC1 ZINC001164890596 721418004 /nfs/dbraw/zinc/41/80/04/721418004.db2.gz UCDPNPYSNFQCES-QPPBQGQZSA-N 0 3 448.055 3.096 20 0 IGADHN COC(=O)c1c(Cl)cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1OC ZINC001164909356 721549378 /nfs/dbraw/zinc/54/93/78/721549378.db2.gz RQWZRFPKQKMYAX-ZBFHGGJFSA-N 0 3 435.883 3.011 20 0 IGADHN C[C@@H]1CN(c2ccc(CN(C)C3CC3)cn2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165010745 721691710 /nfs/dbraw/zinc/69/17/10/721691710.db2.gz WUMZIWRITIXZCK-YBGOQADZSA-N 0 3 435.572 3.474 20 0 IGADHN COC(=O)c1cc2c[nH]c(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)cc-2n1 ZINC001164907423 721718369 /nfs/dbraw/zinc/71/83/69/721718369.db2.gz RXKTYDBPJQOMSU-JOCHJYFZSA-N 0 3 441.482 3.482 20 0 IGADHN Cc1nc(Cn2c(=O)ccc3c2CCN(c2ccc(CN4CCCC4)cn2)CC3)cs1 ZINC001164950647 722007473 /nfs/dbraw/zinc/00/74/73/722007473.db2.gz DUFYXXDTDUENQE-UHFFFAOYSA-N 0 3 435.597 3.258 20 0 IGADHN Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164961946 722052466 /nfs/dbraw/zinc/05/24/66/722052466.db2.gz ZPDHEMCBJSZGFM-UHFFFAOYSA-N 0 3 437.922 3.497 20 0 IGADHN COc1cc(C)c2ncnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c2c1 ZINC001164964395 722062801 /nfs/dbraw/zinc/06/28/01/722062801.db2.gz GECQNWTVUGIICV-UHFFFAOYSA-N 0 3 433.556 3.461 20 0 IGADHN O=C1[C@@H]2CCN(c3ncccc3CN3CCCC3)C[C@H]2OCCN1Cc1cccc(F)c1 ZINC001164969988 722082669 /nfs/dbraw/zinc/08/26/69/722082669.db2.gz STEWAUXLUJKJBS-DHIUTWEWSA-N 0 3 438.547 3.070 20 0 IGADHN CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164982846 722099301 /nfs/dbraw/zinc/09/93/01/722099301.db2.gz PJVARSORUXQIKZ-MJGOQNOKSA-N 0 3 430.936 3.034 20 0 IGADHN Clc1c[nH]c2nc(Cl)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164986302 722100282 /nfs/dbraw/zinc/10/02/82/722100282.db2.gz YQBHIBLIDZPMEH-ZBFHGGJFSA-N 0 3 433.343 3.387 20 0 IGADHN CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983100 722109319 /nfs/dbraw/zinc/10/93/19/722109319.db2.gz YHCFXUZTSKJBQY-AZUAARDMSA-N 0 3 444.963 3.342 20 0 IGADHN Cc1nc(CN2CCO[C@H]3CCN(c4cc(Cl)nc5c4CCNC5)CC[C@@H]32)cs1 ZINC001164990828 722184678 /nfs/dbraw/zinc/18/46/78/722184678.db2.gz RZXWWUGXVYIJSU-ICSRJNTNSA-N 0 3 434.009 3.015 20 0 IGADHN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@H]3NCCO[C@H]3C2)cc1 ZINC001164388400 718824062 /nfs/dbraw/zinc/82/40/62/718824062.db2.gz BUTPGQLGMQCHHE-SJORKVTESA-N 0 3 437.874 3.301 20 0 IGADHN C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC[C@H]5NCCO[C@H]5C4)c23)C1 ZINC001164391156 718824579 /nfs/dbraw/zinc/82/45/79/718824579.db2.gz SWSYXEQBIKXTKG-QRQLOZEOSA-N 0 3 441.645 3.369 20 0 IGADHN COC(=O)[C@H]1CNCCN1C(F)(F)c1nc2cc(Cl)c(Cl)cc2nc1Cl ZINC001164621189 719134582 /nfs/dbraw/zinc/13/45/82/719134582.db2.gz LOKVVRKWXHIBJX-LLVKDONJSA-N 0 3 425.650 3.086 20 0 IGADHN CC[C@@H]1C(=O)N(C)c2cnc(N3CCN(CC(C)C)CC3)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001164657556 719336165 /nfs/dbraw/zinc/33/61/65/719336165.db2.gz RKUKGDWFBLPGDS-IAGOWNOFSA-N 0 3 436.551 3.004 20 0 IGADHN c1ccc(N2CCN(c3ccc(N4CC[C@@H]5[C@H]4CCN5Cc4cccnc4)nn3)CC2)cc1 ZINC001164729301 720442000 /nfs/dbraw/zinc/44/20/00/720442000.db2.gz GVDHVYHXWRZGIG-DNQXCXABSA-N 0 3 441.583 3.051 20 0 IGADHN COc1ccc(-c2ccc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nn2)c(OC)c1OC ZINC001164728902 720465612 /nfs/dbraw/zinc/46/56/12/720465612.db2.gz PKDWRFZMYCYYMD-RTWAWAEBSA-N 0 3 447.539 3.418 20 0 IGADHN FC(F)[C@@](F)(COc1cncc(Cl)n1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164844753 720740662 /nfs/dbraw/zinc/74/06/62/720740662.db2.gz SZPNXGXJJIELSC-LJQANCHMSA-N 0 3 444.889 3.184 20 0 IGADHN C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740448 720760294 /nfs/dbraw/zinc/76/02/94/720760294.db2.gz LERCUOKJVHZKBG-HSALFYBXSA-N 0 3 445.571 3.141 20 0 IGADHN Cc1nc2sc3c(c2c(N2CCN4C[C@H](Oc5cncnc5)C[C@@H]4C2)n1)CCCCC3 ZINC001164737455 720765468 /nfs/dbraw/zinc/76/54/68/720765468.db2.gz BTNAOIVIGFNBPN-IAGOWNOFSA-N 0 3 436.585 3.401 20 0 IGADHN COc1cc2c(cc1F)cc(Cl)nc2N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164748237 720807307 /nfs/dbraw/zinc/80/73/07/720807307.db2.gz QCFMPXVWWZCYEM-LSDHHAIUSA-N 0 3 429.883 3.168 20 0 IGADHN COc1cccc2c1nc(Cl)nc2N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164863345 721086081 /nfs/dbraw/zinc/08/60/81/721086081.db2.gz CBQNYWWBGAXRHQ-DLBZAZTESA-N 0 3 425.920 3.167 20 0 IGADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5c4ccn5Cc4cccc(F)c4)C[C@H]3C2)cn1 ZINC001164762681 721144367 /nfs/dbraw/zinc/14/43/67/721144367.db2.gz DECTXKAMWMSLSX-NHCUHLMSSA-N 0 3 445.546 3.311 20 0 IGADHN Cn1cc(CN2CC[C@H]3CN(c4cc(Cl)ncc4C(=O)OC(C)(C)C)C[C@H]3C2)cn1 ZINC001164768340 721156999 /nfs/dbraw/zinc/15/69/99/721156999.db2.gz OHUVAKNEAJHPHV-DLBZAZTESA-N 0 3 431.968 3.382 20 0 IGADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5ccccn5)nc5sccc54)C[C@@H]3C2)cn1 ZINC001164766164 721229459 /nfs/dbraw/zinc/22/94/59/721229459.db2.gz SIBGRTNTVPUKPI-MSOLQXFVSA-N 0 3 431.569 3.445 20 0 IGADHN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ccc(CN(C)C4CC4)cn3)C2)C1 ZINC001164780762 721368486 /nfs/dbraw/zinc/36/84/86/721368486.db2.gz HELOBKDNAWLPMP-VWLOTQADSA-N 0 3 439.604 3.400 20 0 IGADHN CCOC(=O)c1cnc(C2CC2)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908268 721533758 /nfs/dbraw/zinc/53/37/58/721533758.db2.gz PPABFFFXUPWEFZ-MJGOQNOKSA-N 0 3 426.492 3.012 20 0 IGADHN CCOC(=O)c1cc2ncnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2s1 ZINC001164907293 721545047 /nfs/dbraw/zinc/54/50/47/721545047.db2.gz MVARGZDGCPPVAJ-WBVHZDCISA-N 0 3 442.516 3.349 20 0 IGADHN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1c1ncccc1CN1CCCC1 ZINC001164903052 721579063 /nfs/dbraw/zinc/57/90/63/721579063.db2.gz 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CNC(=O)CN1CCCC12CCN(c1ccc(-c3ccc(C(=O)OC)cc3)c(C)n1)CC2 ZINC001164689888 719737919 /nfs/dbraw/zinc/73/79/19/719737919.db2.gz NSZSLBKGADHYIN-UHFFFAOYSA-N 0 3 436.556 3.024 20 0 IGADHN COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc[n-]c3nc(=S)sc1-3)CC2 ZINC001164712232 720136402 /nfs/dbraw/zinc/13/64/02/720136402.db2.gz LJZVWYFVEIDESN-INIZCTEOSA-N 0 3 442.614 3.278 20 0 IGADHN COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc[n-]c3nc(=S)sc1-3)CC2 ZINC001164712232 720136409 /nfs/dbraw/zinc/13/64/09/720136409.db2.gz LJZVWYFVEIDESN-INIZCTEOSA-N 0 3 442.614 3.278 20 0 IGADHN Fc1ccccc1Cn1cnc2c1ncnc2N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164731011 720400613 /nfs/dbraw/zinc/40/06/13/720400613.db2.gz XZVDWJWULUJWRW-LEWJYISDSA-N 0 3 429.503 3.262 20 0 IGADHN CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164730938 720415286 /nfs/dbraw/zinc/41/52/86/720415286.db2.gz JWFICHANGJYQHD-XZOQPEGZSA-N 0 3 430.556 3.264 20 0 IGADHN Fc1ccc(Oc2ccc(Cl)nn2)c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164743404 720759403 /nfs/dbraw/zinc/75/94/03/720759403.db2.gz PVAYLBWCAHZENS-JKSUJKDBSA-N 0 3 442.882 3.193 20 0 IGADHN COc1cc2c(cc1F)cc(Cl)nc2N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164748226 720807516 /nfs/dbraw/zinc/80/75/16/720807516.db2.gz QCFMPXVWWZCYEM-CABCVRRESA-N 0 3 429.883 3.168 20 0 IGADHN CN1C[C@H](COCC2CC2)[C@H]2CCN(c3ncccc3CN3CCCC3)CC[C@H]2C1=O ZINC001164864569 721030359 /nfs/dbraw/zinc/03/03/59/721030359.db2.gz YCLVTGFVVHGLHY-DNVJHFABSA-N 0 3 426.605 3.025 20 0 IGADHN O=C(NC1CCCCC1)c1cccnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866220 721052598 /nfs/dbraw/zinc/05/25/98/721052598.db2.gz CVTOXZKWBMMVCV-YADHBBJMSA-N 0 3 435.572 3.019 20 0 IGADHN c1[nH]c2ccccc2c1-c1ccnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866915 721083561 /nfs/dbraw/zinc/08/35/61/721083561.db2.gz UZZDQJOTUCTPKS-UXHICEINSA-N 0 3 426.524 3.500 20 0 IGADHN CCOC(=O)c1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc2ccccc21 ZINC001164865633 721084168 /nfs/dbraw/zinc/08/41/68/721084168.db2.gz NSHABPHKAALRDO-WOJBJXKFSA-N 0 3 432.524 3.286 20 0 IGADHN COc1cccc2c1nc(Cl)nc2N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164863352 721085477 /nfs/dbraw/zinc/08/54/77/721085477.db2.gz CBQNYWWBGAXRHQ-SJORKVTESA-N 0 3 425.920 3.167 20 0 IGADHN COc1ccc2nc(Cl)cc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2n1 ZINC001164865179 721096462 /nfs/dbraw/zinc/09/64/62/721096462.db2.gz JKXSPCCIGPYUOI-IAGOWNOFSA-N 0 3 425.920 3.167 20 0 IGADHN Cc1cc(OCc2ccccc2)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164880428 721173577 /nfs/dbraw/zinc/17/35/77/721173577.db2.gz WNJQVRHKFATDBB-PKTZIBPZSA-N 0 3 431.540 3.239 20 0 IGADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5ccccn5)nc5ccccc54)C[C@@H]3C2)cn1 ZINC001164771846 721198244 /nfs/dbraw/zinc/19/82/44/721198244.db2.gz RGZRSQIOSGVLDC-PMACEKPBSA-N 0 3 425.540 3.384 20 0 IGADHN Cc1nc(COC[C@@H]2Cn3nccc3CN(c3ccc(CN(C)C4CC4)cn3)C2)cs1 ZINC001164876705 721332426 /nfs/dbraw/zinc/33/24/26/721332426.db2.gz PMHQPVDATGCYNI-IBGZPJMESA-N 0 3 438.601 3.490 20 0 IGADHN Cc1nc(COC[C@@H]2Cn3nccc3CN(c3ncccc3CN3CCCC3)C2)cs1 ZINC001164877475 721332488 /nfs/dbraw/zinc/33/24/88/721332488.db2.gz UKYGDNQPBYMXOU-IBGZPJMESA-N 0 3 438.601 3.492 20 0 IGADHN Cc1nc(CN2CC[C@]3(CCCN(c4ccc(CN5CCCC5)cn4)C3)C2=O)cs1 ZINC001164890965 721461560 /nfs/dbraw/zinc/46/15/60/721461560.db2.gz TWMGRZTUHYUIKO-QHCPKHFHSA-N 0 3 425.602 3.461 20 0 IGADHN CCOC(=O)c1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1OCC ZINC001164911279 721531900 /nfs/dbraw/zinc/53/19/00/721531900.db2.gz VYHRSJYHRKNWLA-IEBWSBKVSA-N 0 3 429.492 3.138 20 0 IGADHN CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906370 721547109 /nfs/dbraw/zinc/54/71/09/721547109.db2.gz KFMIFALPYXHFNJ-ICSRJNTNSA-N 0 3 442.535 3.040 20 0 IGADHN COC(=O)c1c(Cl)cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1OC ZINC001164909355 721549518 /nfs/dbraw/zinc/54/95/18/721549518.db2.gz RQWZRFPKQKMYAX-HOCLYGCPSA-N 0 3 435.883 3.011 20 0 IGADHN NC(=S)c1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c2sccc21 ZINC001164907582 721567708 /nfs/dbraw/zinc/56/77/08/721567708.db2.gz OSBUIESZPXKNND-GDBMZVCRSA-N 0 3 428.558 3.412 20 0 IGADHN O=C(NC1CC1)c1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164904902 721708448 /nfs/dbraw/zinc/70/84/48/721708448.db2.gz FKLKBRYEQCNXLM-JOCHJYFZSA-N 0 3 427.499 3.107 20 0 IGADHN FC1(F)CCN(c2ncnc3c2ncn3C2CC2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164912183 721725667 /nfs/dbraw/zinc/72/56/67/721725667.db2.gz MLMBUHAQHBFCHQ-NRFANRHFSA-N 0 3 425.487 3.294 20 0 IGADHN CCOC(=O)/C=C/c1cccnc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164959748 722052213 /nfs/dbraw/zinc/05/22/13/722052213.db2.gz NSUJXDJYECWXHR-AATRIKPKSA-N 0 3 436.556 3.172 20 0 IGADHN c1ccc(COc2cncc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164983917 722106183 /nfs/dbraw/zinc/10/61/83/722106183.db2.gz RCFRUVJMDXURQO-DHIUTWEWSA-N 0 3 431.540 3.178 20 0 IGADHN CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983105 722108984 /nfs/dbraw/zinc/10/89/84/722108984.db2.gz YHCFXUZTSKJBQY-UYAOXDASSA-N 0 3 444.963 3.342 20 0 IGADHN c1cncc(CN2CCO[C@@H]3CN(c4nccnc4C4SCCCS4)CC[C@H]3C2)c1 ZINC001164979770 722109358 /nfs/dbraw/zinc/10/93/58/722109358.db2.gz PVJBUINXICLJEC-RBUKOAKNSA-N 0 3 443.642 3.468 20 0 IGADHN COC(=O)c1ccc2ccnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164979253 722111107 /nfs/dbraw/zinc/11/11/07/722111107.db2.gz PQWABNJBLSFCFN-GMAHTHKFSA-N 0 3 432.524 3.144 20 0 IGADHN CSc1nc2c(c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n1)CCCC2 ZINC001164981848 722113597 /nfs/dbraw/zinc/11/35/97/722113597.db2.gz VIJOXCFJQBTWQP-WIYYLYMNSA-N 0 3 425.602 3.200 20 0 IGADHN Cc1nc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(Cl)c1C ZINC001164981020 722127963 /nfs/dbraw/zinc/12/79/63/722127963.db2.gz SAZYRORUYQZEPN-ZWKOTPCHSA-N 0 3 437.922 3.414 20 0 IGADHN FC(F)(COc1cccc(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983080 722128248 /nfs/dbraw/zinc/12/82/48/722128248.db2.gz YAQCVSMLGBUYHE-ZWKOTPCHSA-N 0 3 438.906 3.325 20 0 IGADHN FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980897 722145929 /nfs/dbraw/zinc/14/59/29/722145929.db2.gz NKHITMSFERZDRT-RDJZCZTQSA-N 0 3 448.905 3.279 20 0 IGADHN COC(=O)c1cccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ccc21 ZINC001164977096 722149589 /nfs/dbraw/zinc/14/95/89/722149589.db2.gz ISHDQROOVMDSNJ-CVDCTZTESA-N 0 3 432.524 3.144 20 0 IGADHN Cc1nc(C)c(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)s1 ZINC001164979711 722151082 /nfs/dbraw/zinc/15/10/82/722151082.db2.gz LVBNLTFZMDWOTH-CTNGQTDRSA-N 0 3 436.585 3.339 20 0 IGADHN CNC(=O)CN1CCCC12CCN(c1cnc(Cl)nc1Oc1cccc(C)c1)CC2 ZINC001164690038 719752125 /nfs/dbraw/zinc/75/21/25/719752125.db2.gz QKEFKPHBJZVVFC-UHFFFAOYSA-N 0 3 429.952 3.412 20 0 IGADHN COC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(CCCN4Cc4csc(C)n4)CC3)c12 ZINC001164692028 719810428 /nfs/dbraw/zinc/81/04/28/719810428.db2.gz FFLDLLMKLAJLMY-UHFFFAOYSA-N 0 3 426.546 3.144 20 0 IGADHN c1ccc(N2CCN(c3ccc(N4CC[C@H]5[C@@H]4CCN5Cc4cccnc4)nn3)CC2)cc1 ZINC001164729305 720441390 /nfs/dbraw/zinc/44/13/90/720441390.db2.gz GVDHVYHXWRZGIG-ZEQRLZLVSA-N 0 3 441.583 3.051 20 0 IGADHN c1cncc(CN2CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccc(N4CCOCC4)cc3)nn2)c1 ZINC001164723072 720466739 /nfs/dbraw/zinc/46/67/39/720466739.db2.gz BTWCYJWQWVPZAL-LOSJGSFVSA-N 0 3 442.567 3.228 20 0 IGADHN COC(=O)c1cc(C(F)(F)N2CCCn3cnc(CNC4CCC4)c3C2)cnc1Cl ZINC001164837388 720736883 /nfs/dbraw/zinc/73/68/83/720736883.db2.gz ITGOAMIAJLGABQ-UHFFFAOYSA-N 0 3 439.894 3.315 20 0 IGADHN Cc1nc2sc3c(c2c(N2CCN4C[C@@H](Oc5cncnc5)C[C@H]4C2)n1)CCCCC3 ZINC001164737456 720764956 /nfs/dbraw/zinc/76/49/56/720764956.db2.gz BTNAOIVIGFNBPN-IRXDYDNUSA-N 0 3 436.585 3.401 20 0 IGADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5c4ccn5Cc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC001164762685 721144872 /nfs/dbraw/zinc/14/48/72/721144872.db2.gz DECTXKAMWMSLSX-RTWAWAEBSA-N 0 3 445.546 3.311 20 0 IGADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(C(=O)OCc5ccccc5)cn4)C[C@H]3C2)cn1 ZINC001164762540 721212417 /nfs/dbraw/zinc/21/24/17/721212417.db2.gz CRYWEGVCCFVROO-XZOQPEGZSA-N 0 3 431.540 3.130 20 0 IGADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5ccncc5)nc5sccc54)C[C@H]3C2)cn1 ZINC001164759476 721229141 /nfs/dbraw/zinc/22/91/41/721229141.db2.gz AMYJORRNUAPNIJ-RTBURBONSA-N 0 3 431.569 3.445 20 0 IGADHN C[C@@H]1CN(c2ncccc2CN2CCCC2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165007494 721692486 /nfs/dbraw/zinc/69/24/86/721692486.db2.gz CTFUGYOXONPIOS-OPJGWUQDSA-N 0 3 435.572 3.475 20 0 IGADHN NC(=O)c1cc2ccccc2c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164909878 721728569 /nfs/dbraw/zinc/72/85/69/721728569.db2.gz FGSJQUFZRVKTTC-QHCPKHFHSA-N 0 3 437.494 3.466 20 0 IGADHN FC(F)(c1cc(Cl)nc(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984006 722101752 /nfs/dbraw/zinc/10/17/52/722101752.db2.gz RMQGEWAMBMGMQP-LSDHHAIUSA-N 0 3 444.313 3.451 20 0 IGADHN O=C(NC1CCCCC1)c1cccnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164986101 722103021 /nfs/dbraw/zinc/10/30/21/722103021.db2.gz YANBDNBJAFLNGK-URXFXBBRSA-N 0 3 449.599 3.266 20 0 IGADHN FC(F)(c1nc(Cl)cc(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983982 722103538 /nfs/dbraw/zinc/10/35/38/722103538.db2.gz RJWUYDHBAYNCHI-LSDHHAIUSA-N 0 3 444.313 3.451 20 0 IGADHN c1ccc(COc2cncc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164983925 722106187 /nfs/dbraw/zinc/10/61/87/722106187.db2.gz RCFRUVJMDXURQO-XZOQPEGZSA-N 0 3 431.540 3.178 20 0 IGADHN COC(=O)c1ccc2c(ccnc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164981126 722111101 /nfs/dbraw/zinc/11/11/01/722111101.db2.gz SXGURVZVSKBJSJ-GGAORHGYSA-N 0 3 432.524 3.144 20 0 IGADHN CCOC(=O)c1cc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1C ZINC001164971883 722116433 /nfs/dbraw/zinc/11/64/33/722116433.db2.gz CZGPKQCMLJTERK-ICSRJNTNSA-N 0 3 444.963 3.342 20 0 IGADHN CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1C ZINC001164971884 722116540 /nfs/dbraw/zinc/11/65/40/722116540.db2.gz CZGPKQCMLJTERK-QUCCMNQESA-N 0 3 444.963 3.342 20 0 IGADHN c1ccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c(N3CCCC3)nc2c1 ZINC001164980881 722138073 /nfs/dbraw/zinc/13/80/73/722138073.db2.gz NHJLCAGAAIOKED-XUZZJYLKSA-N 0 3 444.583 3.352 20 0 IGADHN COC(=O)c1cc2ccccc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164980256 722145258 /nfs/dbraw/zinc/14/52/58/722145258.db2.gz MFZYUVPKVRFQJX-NFBKMPQASA-N 0 3 432.524 3.144 20 0 IGADHN FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980898 722145738 /nfs/dbraw/zinc/14/57/38/722145738.db2.gz NKHITMSFERZDRT-WBVHZDCISA-N 0 3 448.905 3.279 20 0 IGADHN Cc1nc(-c2ccncc2)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1C ZINC001164975025 722148695 /nfs/dbraw/zinc/14/86/95/722148695.db2.gz DTSWLCUBFNIKTM-DHIUTWEWSA-N 0 3 430.556 3.278 20 0 IGADHN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@@H]3NCCO[C@@H]3C2)cc1 ZINC001164388397 718824168 /nfs/dbraw/zinc/82/41/68/718824168.db2.gz BUTPGQLGMQCHHE-DLBZAZTESA-N 0 3 437.874 3.301 20 0 IGADHN COCCn1ccc2c1ncnc2N1CCC2(CCCN2Cc2csc(C)n2)CC1 ZINC001164694396 719809782 /nfs/dbraw/zinc/80/97/82/719809782.db2.gz WWZORPNJBNVZIZ-UHFFFAOYSA-N 0 3 426.590 3.478 20 0 IGADHN CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c12 ZINC001164696128 719888831 /nfs/dbraw/zinc/88/88/31/719888831.db2.gz YPVWSMILACMCCP-UHFFFAOYSA-N 0 3 441.557 3.068 20 0 IGADHN CCOC(=O)c1c[n-]c2ncnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c12 ZINC001164696128 719888833 /nfs/dbraw/zinc/88/88/33/719888833.db2.gz YPVWSMILACMCCP-UHFFFAOYSA-N 0 3 441.557 3.068 20 0 IGADHN CCOC(=O)c1c[n-]c2ncnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c12 ZINC001164696128 719888834 /nfs/dbraw/zinc/88/88/34/719888834.db2.gz YPVWSMILACMCCP-UHFFFAOYSA-N 0 3 441.557 3.068 20 0 IGADHN C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740452 720759511 /nfs/dbraw/zinc/75/95/11/720759511.db2.gz LERCUOKJVHZKBG-VAMGGRTRSA-N 0 3 445.571 3.141 20 0 IGADHN Cc1nc2sc3c(c2c(N2CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C2)n1)CCCCC3 ZINC001164737457 720764237 /nfs/dbraw/zinc/76/42/37/720764237.db2.gz BTNAOIVIGFNBPN-SJORKVTESA-N 0 3 436.585 3.401 20 0 IGADHN Fc1ccc(-c2nc(Cl)cc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164738898 720775208 /nfs/dbraw/zinc/77/52/08/720775208.db2.gz GYEXXMRSCRMSRJ-DLBZAZTESA-N 0 3 426.883 3.068 20 0 IGADHN FC(F)c1nc2ccc(Cl)cc2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164747678 720799428 /nfs/dbraw/zinc/79/94/28/720799428.db2.gz PAXMLSNWABZTBJ-KBPBESRZSA-N 0 3 432.862 3.353 20 0 IGADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5c4ccn5Cc4ccc(F)cc4)C[C@@H]3C2)cn1 ZINC001164763413 721149435 /nfs/dbraw/zinc/14/94/35/721149435.db2.gz FORHUWCEGOCSSD-SFTDATJTSA-N 0 3 445.546 3.311 20 0 IGADHN CCOC(=O)c1cc2c(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164773549 721158114 /nfs/dbraw/zinc/15/81/14/721158114.db2.gz YIPYZFWXMQGRNR-OALUTQOASA-N 0 3 436.560 3.048 20 0 IGADHN O=C(c1ccsc1)N1CCO[C@H]2CN(c3ccc(CN4CCCC4)cn3)CC[C@@H]2C1 ZINC001164876608 721298519 /nfs/dbraw/zinc/29/85/19/721298519.db2.gz JPDDPNHJVYNQSQ-CTNGQTDRSA-N 0 3 426.586 3.106 20 0 IGADHN COC(=O)c1cc2c(nc1N1CCCC1)CCN(c1ccc(CN(C)C3CC3)cn1)CC2 ZINC001164776788 721308434 /nfs/dbraw/zinc/30/84/34/721308434.db2.gz PNJLRZOEMJCXTQ-UHFFFAOYSA-N 0 3 435.572 3.063 20 0 IGADHN Cc1nc(COC[C@H]2Cn3nccc3CN(c3ccc(CN4CCCC4)cn3)C2)cs1 ZINC001164876897 721332475 /nfs/dbraw/zinc/33/24/75/721332475.db2.gz RMKFRDUVWPSRKB-HXUWFJFHSA-N 0 3 438.601 3.492 20 0 IGADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)ccc4CN4CCCC4)C3)O2)CC1 ZINC001164890597 721418232 /nfs/dbraw/zinc/41/82/32/721418232.db2.gz UCDPNPYSNFQCES-URXFXBBRSA-N 0 3 448.055 3.096 20 0 IGADHN O=C(NCc1ccccc1)c1cccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899980 721515584 /nfs/dbraw/zinc/51/55/84/721515584.db2.gz MWROAUDICTVMCC-JTHBVZDNSA-N 0 3 446.526 3.493 20 0 IGADHN CCOC(=O)c1ccc2ncnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001164912056 721533886 /nfs/dbraw/zinc/53/38/86/721533886.db2.gz YMJHTHDGYPJDGZ-AZUAARDMSA-N 0 3 436.487 3.288 20 0 IGADHN CCOC(=O)c1cc2ccc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc2[nH]1 ZINC001164798131 721567362 /nfs/dbraw/zinc/56/73/62/721567362.db2.gz AIMXKWAUHHFEFM-RZUBCFFCSA-N 0 3 435.528 3.003 20 0 IGADHN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1c1ccc(CN2CCCC2)cn1 ZINC001164904465 721578483 /nfs/dbraw/zinc/57/84/83/721578483.db2.gz QIWXWGWYRUICGV-HSZRJFAPSA-N 0 3 439.604 3.441 20 0 IGADHN COC(=O)c1c[nH]c2nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)ccc12 ZINC001164904885 721696274 /nfs/dbraw/zinc/69/62/74/721696274.db2.gz HNDYSMCQDNYLBQ-JOCHJYFZSA-N 0 3 441.482 3.482 20 0 IGADHN Cn1c(=O)ccc2ccc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nc21 ZINC001164907380 721706771 /nfs/dbraw/zinc/70/67/71/721706771.db2.gz RHVDDPJNXQUQSB-QFIPXVFZSA-N 0 3 425.483 3.066 20 0 IGADHN Cc1nc(Cn2c(=O)ccc3c2CCN(c2ccc(CN(C)C4CC4)cn2)CC3)cs1 ZINC001164950723 722007478 /nfs/dbraw/zinc/00/74/78/722007478.db2.gz FSPOVHUKVJZMAR-UHFFFAOYSA-N 0 3 435.597 3.256 20 0 IGADHN O=C1[C@@H]2CCN(c3ccc(CN4CCCC4)cn3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001164968824 722082303 /nfs/dbraw/zinc/08/23/03/722082303.db2.gz HSUHVARNRVCEGW-PKTZIBPZSA-N 0 3 438.547 3.070 20 0 IGADHN FC(F)(c1cnc(Cl)nc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986392 722100991 /nfs/dbraw/zinc/10/09/91/722100991.db2.gz YXVROGVEOCTUSO-GDBMZVCRSA-N 0 3 444.313 3.451 20 0 IGADHN FC(F)(c1nc(Cl)ncc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983883 722106888 /nfs/dbraw/zinc/10/68/88/722106888.db2.gz QVPICWBEIXZBQV-HOCLYGCPSA-N 0 3 444.313 3.451 20 0 IGADHN COc1ccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c(Cl)nc2c1 ZINC001164975700 722111348 /nfs/dbraw/zinc/11/13/48/722111348.db2.gz KKJBLZMXLCKAOP-DYESRHJHSA-N 0 3 439.947 3.414 20 0 IGADHN CSc1nc2c(c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n1)CCCC2 ZINC001164981846 722113410 /nfs/dbraw/zinc/11/34/10/722113410.db2.gz VIJOXCFJQBTWQP-RXVVDRJESA-N 0 3 425.602 3.200 20 0 IGADHN COc1ccc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164973886 722115226 /nfs/dbraw/zinc/11/52/26/722115226.db2.gz HVEKDBQXWGFKSO-AEFFLSMTSA-N 0 3 438.906 3.411 20 0 IGADHN Clc1ccc(CN2CCCC2)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983727 722125168 /nfs/dbraw/zinc/12/51/68/722125168.db2.gz ZIJYEQICOVAYQT-IFMALSPDSA-N 0 3 442.007 3.453 20 0 IGADHN c1ccc(COc2cnnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2)cc1 ZINC001164982673 722125959 /nfs/dbraw/zinc/12/59/59/722125959.db2.gz XREBYSKMEQQDAP-UPVQGACJSA-N 0 3 431.540 3.178 20 0 IGADHN FC(F)(COc1cccc(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983079 722128364 /nfs/dbraw/zinc/12/83/64/722128364.db2.gz YAQCVSMLGBUYHE-ROUUACIJSA-N 0 3 438.906 3.325 20 0 IGADHN COC(=O)c1ccc2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ncc2c1 ZINC001164984600 722137186 /nfs/dbraw/zinc/13/71/86/722137186.db2.gz XNLBGVYARAMAHL-GGAORHGYSA-N 0 3 432.524 3.144 20 0 IGADHN COc1cccc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)c1 ZINC001164983311 722141452 /nfs/dbraw/zinc/14/14/52/722141452.db2.gz TYLBEAXEHZUASK-QPPBQGQZSA-N 0 3 431.540 3.275 20 0 IGADHN COc1ccc(-c2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ncn2)cc1 ZINC001164975231 722145120 /nfs/dbraw/zinc/14/51/20/722145120.db2.gz GDGHMLCIXPJPPQ-QPPBQGQZSA-N 0 3 431.540 3.275 20 0 IGADHN COc1cc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ccc2c(OC)c1 ZINC001164977098 722153222 /nfs/dbraw/zinc/15/32/22/722153222.db2.gz WTGSGRYNXYZDEJ-YADARESESA-N 0 3 434.540 3.374 20 0 IGADHN COc1cc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ccc2c(OC)c1 ZINC001164976358 722153460 /nfs/dbraw/zinc/15/34/60/722153460.db2.gz WTGSGRYNXYZDEJ-CYFREDJKSA-N 0 3 434.540 3.374 20 0 IGADHN Fc1ccc2c(c1)[nH]c1ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164971059 722158038 /nfs/dbraw/zinc/15/80/38/722158038.db2.gz ACBHSUXZBADJME-UTKZUKDTSA-N 0 3 432.503 3.373 20 0 IGADHN CCc1cc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)nc(N2CCOCC2)n1 ZINC001164996344 722204277 /nfs/dbraw/zinc/20/42/77/722204277.db2.gz UEIGOFBKUMQHBG-DEOSSOPVSA-N 0 3 425.552 3.260 20 0 IGADHN CCS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3NCc4ccccc4[C@H]3C2)cnc1Cl ZINC001164430782 718948571 /nfs/dbraw/zinc/94/85/71/718948571.db2.gz 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COc1cc2c(cc1Cl)ncnc2N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865915 721092120 /nfs/dbraw/zinc/09/21/20/721092120.db2.gz PRSZMDVZSPOPSN-IAGOWNOFSA-N 0 3 425.920 3.167 20 0 IGADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(C(=O)N5CCCCC5)cc(Cl)n4)C[C@H]3C2)cn1 ZINC001164774189 721093314 /nfs/dbraw/zinc/09/33/14/721093314.db2.gz YZHZJOSSHHHONI-UYAOXDASSA-N 0 3 442.995 3.053 20 0 IGADHN COc1ccc2nc(Cl)cc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2n1 ZINC001164865178 721095562 /nfs/dbraw/zinc/09/55/62/721095562.db2.gz JKXSPCCIGPYUOI-DLBZAZTESA-N 0 3 425.920 3.167 20 0 IGADHN Cn1cc(CN2CC[C@H]3CN(c4ccc5c(n4)CCN(Cc4ccccc4)C5)C[C@H]3C2)cn1 ZINC001164769926 721105291 /nfs/dbraw/zinc/10/52/91/721105291.db2.gz QHBLZCMZGCLGTG-UKILVPOCSA-N 0 3 442.611 3.332 20 0 IGADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc5c(n4)CCN(Cc4ccccc4)C5)C[C@@H]3C2)cn1 ZINC001164769925 721105995 /nfs/dbraw/zinc/10/59/95/721105995.db2.gz QHBLZCMZGCLGTG-NOZRDPDXSA-N 0 3 442.611 3.332 20 0 IGADHN CCOC(=O)c1cc2ccccc2nc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864389 721112298 /nfs/dbraw/zinc/11/22/98/721112298.db2.gz FSXRFSCVOKHTKO-LEWJYISDSA-N 0 3 432.524 3.286 20 0 IGADHN COC(=O)C[C@H](c1ccnc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1)C1CC1 ZINC001164881017 721133836 /nfs/dbraw/zinc/13/38/36/721133836.db2.gz YVIMDUHZMUBJRW-ZLNRFVROSA-N 0 3 436.556 3.013 20 0 IGADHN c1ccc2nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c(N3CCCC3)nc2c1 ZINC001164878357 721136074 /nfs/dbraw/zinc/13/60/74/721136074.db2.gz PXKQGPQQSFBERQ-SFTDATJTSA-N 0 3 430.556 3.105 20 0 IGADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5cccnc5)nc5ccccc54)C[C@H]3C2)cn1 ZINC001164772331 721194538 /nfs/dbraw/zinc/19/45/38/721194538.db2.gz SGOMHSSNJWNIGO-NHCUHLMSSA-N 0 3 425.540 3.384 20 0 IGADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5ccccn5)nc5sccc54)C[C@@H]3C2)cn1 ZINC001164766166 721228847 /nfs/dbraw/zinc/22/88/47/721228847.db2.gz SIBGRTNTVPUKPI-ROUUACIJSA-N 0 3 431.569 3.445 20 0 IGADHN NC(=S)c1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c2sccc21 ZINC001164907583 721567946 /nfs/dbraw/zinc/56/79/46/721567946.db2.gz OSBUIESZPXKNND-GOEBONIOSA-N 0 3 428.558 3.412 20 0 IGADHN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1c1ccc(CN(C)C2CC2)cn1 ZINC001164903050 721578258 /nfs/dbraw/zinc/57/82/58/721578258.db2.gz KNDVAUGLZBWBLA-QHCPKHFHSA-N 0 3 439.604 3.439 20 0 IGADHN C[C@@H]1CN(c2ccc(CN3CCCC3)cn2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165007892 721691738 /nfs/dbraw/zinc/69/17/38/721691738.db2.gz GMAJSRZJQRGING-QNIAMRLHSA-N 0 3 435.572 3.475 20 0 IGADHN C[C@@H]1CN(c2ncccc2CN2CCCC2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165007497 721692540 /nfs/dbraw/zinc/69/25/40/721692540.db2.gz CTFUGYOXONPIOS-WPWBMXPQSA-N 0 3 435.572 3.475 20 0 IGADHN COC(=O)CSc1cccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164905616 721718977 /nfs/dbraw/zinc/71/89/77/721718977.db2.gz IBOJYQWTCBNTIS-OAQYLSRUSA-N 0 3 448.539 3.479 20 0 IGADHN CCOC(=O)/C=C\c1cccnc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164960447 722052457 /nfs/dbraw/zinc/05/24/57/722052457.db2.gz NSUJXDJYECWXHR-WAYWQWQTSA-N 0 3 436.556 3.172 20 0 IGADHN C[C@H]1CCCN(c2cc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)ncn2)C1 ZINC001164963397 722060824 /nfs/dbraw/zinc/06/08/24/722060824.db2.gz YJTZSRIAFGKRDW-NRFANRHFSA-N 0 3 436.604 3.227 20 0 IGADHN FC(F)(c1cc(Cl)nc(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984002 722101708 /nfs/dbraw/zinc/10/17/08/722101708.db2.gz RMQGEWAMBMGMQP-HUUCEWRRSA-N 0 3 444.313 3.451 20 0 IGADHN COc1cc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cc(Cl)n1 ZINC001164984685 722103282 /nfs/dbraw/zinc/10/32/82/722103282.db2.gz TYWSDEIRVPTOJG-WMZOPIPTSA-N 0 3 438.906 3.411 20 0 IGADHN FC(F)(c1nc(Cl)cc(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983978 722103461 /nfs/dbraw/zinc/10/34/61/722103461.db2.gz RJWUYDHBAYNCHI-HUUCEWRRSA-N 0 3 444.313 3.451 20 0 IGADHN CC1(C)OCc2c1nc(Cl)nc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983215 722108715 /nfs/dbraw/zinc/10/87/15/722108715.db2.gz YNDYVIPFEPJWCZ-FUHWJXTLSA-N 0 3 429.952 3.018 20 0 IGADHN Clc1ccc(CN2CCCC2)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983728 722124987 /nfs/dbraw/zinc/12/49/87/722124987.db2.gz ZIJYEQICOVAYQT-IRLDBZIGSA-N 0 3 442.007 3.453 20 0 IGADHN COc1cc2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2cc1OC ZINC001164974052 722127644 /nfs/dbraw/zinc/12/76/44/722127644.db2.gz IHKCNGJZYURZGF-YKSBVNFPSA-N 0 3 434.540 3.374 20 0 IGADHN Cc1nc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(Cl)c1C ZINC001164981019 722128142 /nfs/dbraw/zinc/12/81/42/722128142.db2.gz SAZYRORUYQZEPN-ROUUACIJSA-N 0 3 437.922 3.414 20 0 IGADHN CC1CCN(C(=O)c2cccnc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)CC1 ZINC001164982789 722140780 /nfs/dbraw/zinc/14/07/80/722140780.db2.gz SPPHWSJJNZNIOF-UPVQGACJSA-N 0 3 449.599 3.076 20 0 IGADHN COc1ccc(-c2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ncn2)cc1 ZINC001164975237 722144540 /nfs/dbraw/zinc/14/45/40/722144540.db2.gz GDGHMLCIXPJPPQ-ZJSXRUAMSA-N 0 3 431.540 3.275 20 0 IGADHN c1cncc(CN2CCO[C@@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CC[C@H]3C2)c1 ZINC001164985500 722149346 /nfs/dbraw/zinc/14/93/46/722149346.db2.gz ZQZGBWZKPWXCFG-XUZZJYLKSA-N 0 3 442.567 3.150 20 0 IGADHN Cc1nc(CN2CCO[C@H]3CCN(c4ccc(CN(C)C5CC5)cn4)CC[C@H]32)cs1 ZINC001164992994 722185619 /nfs/dbraw/zinc/18/56/19/722185619.db2.gz YMUIUHIXOQGNQH-YADHBBJMSA-N 0 3 427.618 3.311 20 0 IGADHN Cc1cccc(CN2C(=O)COC3(CCN(c4ccc(CN(C)C5CC5)cn4)CC3)[C@H]2C)n1 ZINC001164428920 718952033 /nfs/dbraw/zinc/95/20/33/718952033.db2.gz MAFOKNXNXUUYJZ-HXUWFJFHSA-N 0 3 449.599 3.166 20 0 IGADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3c4c(nnc3Cl)CCC4)CC2)CC1 ZINC001164617629 719032145 /nfs/dbraw/zinc/03/21/45/719032145.db2.gz OFVOCMQINLFEIJ-UHFFFAOYSA-N 0 3 442.938 3.408 20 0 IGADHN CC(C)CN1CCN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000301065864 719337448 /nfs/dbraw/zinc/33/74/48/719337448.db2.gz ZDPJZAWVGJDBLU-UHFFFAOYSA-N 0 3 429.634 3.180 20 0 IGADHN c1sc2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1-c1ccccc1 ZINC001164744403 720656913 /nfs/dbraw/zinc/65/69/13/720656913.db2.gz ZTPVKGDOOIEJDO-ZWKOTPCHSA-N 0 3 430.537 3.490 20 0 IGADHN CN1C[C@H](COCC2CC2)[C@@H]2CCN(c3ccc(CN4CCCC4)cn3)CC[C@H]2C1=O ZINC001164860265 721029939 /nfs/dbraw/zinc/02/99/39/721029939.db2.gz KOEFEDWHTQXQDV-XPWALMASSA-N 0 3 426.605 3.025 20 0 IGADHN CN1C[C@H](COCC2CC2)[C@H]2CCN(c3ncccc3CN3CCCC3)CC[C@@H]2C1=O ZINC001164864575 721030505 /nfs/dbraw/zinc/03/05/05/721030505.db2.gz YCLVTGFVVHGLHY-ZLNRFVROSA-N 0 3 426.605 3.025 20 0 IGADHN O=C(NC1CCCCC1)c1cccnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866219 721053322 /nfs/dbraw/zinc/05/33/22/721053322.db2.gz CVTOXZKWBMMVCV-VXKWHMMOSA-N 0 3 435.572 3.019 20 0 IGADHN Clc1ccc(CN2CCCC2)c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164864578 721100920 /nfs/dbraw/zinc/10/09/20/721100920.db2.gz GMYPNAKCMGYSFW-NHCUHLMSSA-N 0 3 427.980 3.206 20 0 IGADHN CCOC(=O)c1cc2ccccc2nc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864392 721111523 /nfs/dbraw/zinc/11/15/23/721111523.db2.gz FSXRFSCVOKHTKO-NHCUHLMSSA-N 0 3 432.524 3.286 20 0 IGADHN CN(C)c1ccc(-c2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164880718 721122712 /nfs/dbraw/zinc/12/27/12/721122712.db2.gz XFLHOJYQPBHHGL-DHIUTWEWSA-N 0 3 430.556 3.084 20 0 IGADHN CC(C)(C)c1noc(-c2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2)n1 ZINC001164872051 721127775 /nfs/dbraw/zinc/12/77/75/721127775.db2.gz GEVUNCGEFFUETA-PMACEKPBSA-N 0 3 434.544 3.304 20 0 IGADHN COc1ccc(OC)c(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)c1 ZINC001164880367 721164745 /nfs/dbraw/zinc/16/47/45/721164745.db2.gz WAKRWJQOCWOBTE-CTNGQTDRSA-N 0 3 447.539 3.036 20 0 IGADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(C(=O)OCc5ccccc5)cn4)C[C@@H]3C2)cn1 ZINC001164762538 721211185 /nfs/dbraw/zinc/21/11/85/721211185.db2.gz CRYWEGVCCFVROO-PKTZIBPZSA-N 0 3 431.540 3.130 20 0 IGADHN Cc1nc2nc(Cl)nc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2[nH]1 ZINC001164907403 721696438 /nfs/dbraw/zinc/69/64/38/721696438.db2.gz SGMWBYIRQKXUHH-IBGZPJMESA-N 0 3 433.894 3.447 20 0 IGADHN COCCn1ccc2c1ncnc2N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906011 721708853 /nfs/dbraw/zinc/70/88/53/721708853.db2.gz JFRUKHUOZCCXTL-QFIPXVFZSA-N 0 3 442.514 3.210 20 0 IGADHN Cc1nc(-c2ccncc2)cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164962516 722060518 /nfs/dbraw/zinc/06/05/18/722060518.db2.gz SXWOUEPWFFWBON-UHFFFAOYSA-N 0 3 430.556 3.361 20 0 IGADHN CCOC(=O)c1cc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164982847 722099462 /nfs/dbraw/zinc/09/94/62/722099462.db2.gz PJVARSORUXQIKZ-PKOBYXMFSA-N 0 3 430.936 3.034 20 0 IGADHN O=C(Nc1ccccc1)c1ccnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979780 722120163 /nfs/dbraw/zinc/12/01/63/722120163.db2.gz PYAGGKIQONQCRN-ISKFKSNPSA-N 0 3 443.551 3.456 20 0 IGADHN COc1cccc2nc(Cl)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164972439 722123141 /nfs/dbraw/zinc/12/31/41/722123141.db2.gz FJQPCRMFCWBHHD-FXAWDEMLSA-N 0 3 439.947 3.414 20 0 IGADHN COC(=O)c1ccc2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ncc2c1 ZINC001164984601 722136998 /nfs/dbraw/zinc/13/69/98/722136998.db2.gz XNLBGVYARAMAHL-GMAHTHKFSA-N 0 3 432.524 3.144 20 0 IGADHN COc1ccccc1-c1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncn1 ZINC001164980883 722144871 /nfs/dbraw/zinc/14/48/71/722144871.db2.gz NHPJZEXDYSHTPV-GBXCKJPGSA-N 0 3 431.540 3.275 20 0 IGADHN Cc1cccc(CN2C(=O)COC3(CCN(c4ccc(CN5CCCC5)cn4)CC3)[C@@H]2C)n1 ZINC001164430746 718951337 /nfs/dbraw/zinc/95/13/37/718951337.db2.gz XNPITOUDUWQLCY-NRFANRHFSA-N 0 3 449.599 3.167 20 0 IGADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)COc3cccc(Cl)n3)CC2)CC1 ZINC001164616333 719028840 /nfs/dbraw/zinc/02/88/40/719028840.db2.gz AWAMOZCGPBTYRI-UHFFFAOYSA-N 0 3 431.911 3.446 20 0 IGADHN O=C(c1cnc(N2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c(Cl)c1)N1CCOCC1 ZINC001164629592 719099246 /nfs/dbraw/zinc/09/92/46/719099246.db2.gz STZUSANDUXOYBE-SIKLNZKXSA-N 0 3 440.975 3.308 20 0 IGADHN CC[C@@H]1C(=O)N(C)c2cnc(N3CCN(CC(C)C)CC3)nc2N1[C@H]1CCC(F)(F)C1 ZINC001164657555 719335994 /nfs/dbraw/zinc/33/59/94/719335994.db2.gz RKUKGDWFBLPGDS-DLBZAZTESA-N 0 3 436.551 3.004 20 0 IGADHN CC(C)N(C)Cc1nn(C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)c2c1CCNC2 ZINC001164679497 719637255 /nfs/dbraw/zinc/63/72/55/719637255.db2.gz CXLNMILGFZUIAV-UHFFFAOYSA-N 0 3 447.921 3.472 20 0 IGADHN CC(C)N(C)Cc1nn(C(F)(F)c2nc(-c3ccc(Cl)nc3)no2)c2c1CCNC2 ZINC001164679632 719646667 /nfs/dbraw/zinc/64/66/67/719646667.db2.gz JDVLHQXEIWYZGR-UHFFFAOYSA-N 0 3 437.882 3.065 20 0 IGADHN CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c12 ZINC001164721739 720331370 /nfs/dbraw/zinc/33/13/70/720331370.db2.gz DGRDENDXLMIEGJ-MOPGFXCFSA-N 0 3 442.523 3.307 20 0 IGADHN Clc1nc2c(ncn2[C@@H]2CCCCO2)c(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164721663 720379983 /nfs/dbraw/zinc/37/99/83/720379983.db2.gz AIGLEGLJFDEPIA-SQNIBIBYSA-N 0 3 439.951 3.427 20 0 IGADHN COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164837435 720738805 /nfs/dbraw/zinc/73/88/05/720738805.db2.gz JMLTYPCYYPCYAD-UHFFFAOYSA-N 0 3 439.894 3.315 20 0 IGADHN C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740443 720760971 /nfs/dbraw/zinc/76/09/71/720760971.db2.gz LERCUOKJVHZKBG-AABGKKOBSA-N 0 3 445.571 3.141 20 0 IGADHN Fc1ccc(-c2ccc(Cl)nn2)cc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737522 720780081 /nfs/dbraw/zinc/78/00/81/720780081.db2.gz CDLADTVAJNBBFO-CVEARBPZSA-N 0 3 426.883 3.068 20 0 IGADHN CCOC(=O)c1c(C)nc(Cl)cc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871539 721070793 /nfs/dbraw/zinc/07/07/93/721070793.db2.gz ZNWRAUKWXMVPPL-MSOLQXFVSA-N 0 3 430.936 3.095 20 0 IGADHN CCOC(=O)c1c(C)cc(Cl)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871475 721072116 /nfs/dbraw/zinc/07/21/16/721072116.db2.gz YYZSWKMLQMFWGW-QZTJIDSGSA-N 0 3 430.936 3.095 20 0 IGADHN O=C(Nc1ccccc1)c1ccnc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164865027 721093136 /nfs/dbraw/zinc/09/31/36/721093136.db2.gz IBYCSXMKJWDQMV-DHIUTWEWSA-N 0 3 429.524 3.209 20 0 IGADHN CCOC(=O)c1cc2ccccc2nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864399 721112726 /nfs/dbraw/zinc/11/27/26/721112726.db2.gz FSXRFSCVOKHTKO-SFTDATJTSA-N 0 3 432.524 3.286 20 0 IGADHN COc1cccc(Oc2cncc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164865439 721116821 /nfs/dbraw/zinc/11/68/21/721116821.db2.gz LIVCORMLIBVJBK-KNQAVFIVSA-N 0 3 433.512 3.152 20 0 IGADHN CN(C)c1ccc(-c2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164880719 721124086 /nfs/dbraw/zinc/12/40/86/721124086.db2.gz XFLHOJYQPBHHGL-GOTSBHOMSA-N 0 3 430.556 3.084 20 0 IGADHN Cc1ccc(-c2nc3c(ncnc3N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)o2)cc1 ZINC001164771844 721205604 /nfs/dbraw/zinc/20/56/04/721205604.db2.gz REJLZNOWLDLNMZ-VQTJNVASSA-N 0 3 429.528 3.285 20 0 IGADHN O=C(c1ccsc1)N1CCO[C@@H]2CN(c3ncccc3CN3CCCC3)CC[C@@H]2C1 ZINC001164881996 721299906 /nfs/dbraw/zinc/29/99/06/721299906.db2.gz YZDZTERUYOSROA-WIYYLYMNSA-N 0 3 426.586 3.106 20 0 IGADHN CN(C)c1nc(-c2ccccc2)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164911172 721541448 /nfs/dbraw/zinc/54/14/48/721541448.db2.gz VPPRUKSVCWTMPF-PZJWPPBQSA-N 0 3 434.519 3.086 20 0 IGADHN CC1CCN(C(=O)c2ccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2)CC1 ZINC001164908576 721553432 /nfs/dbraw/zinc/55/34/32/721553432.db2.gz QMOUICJBLRZCLN-GGAORHGYSA-N 0 3 438.547 3.435 20 0 IGADHN CCOC(=O)c1cc2ccc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc2[nH]1 ZINC001164798128 721567281 /nfs/dbraw/zinc/56/72/81/721567281.db2.gz AIMXKWAUHHFEFM-ONTIZHBOSA-N 0 3 435.528 3.003 20 0 IGADHN CCOC(=O)Cc1cccnc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164904960 721587395 /nfs/dbraw/zinc/58/73/95/721587395.db2.gz IJQIANFJXPPRMU-QFIPXVFZSA-N 0 3 430.499 3.320 20 0 IGADHN Cn1cnc2c1nc(Cl)nc2N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164905975 721698446 /nfs/dbraw/zinc/69/84/46/721698446.db2.gz KLTNWXYSCZJQCG-LJQANCHMSA-N 0 3 433.894 3.149 20 0 IGADHN CCN(CCC(N)=O)c1c2c(cnc1Cl)C1(CCN(Cc3ccccc3)CC1)OC2=O ZINC001165046998 721983898 /nfs/dbraw/zinc/98/38/98/721983898.db2.gz GMUNLMMWHXZIMM-UHFFFAOYSA-N 0 3 442.947 3.098 20 0 IGADHN FC(F)(c1cnc(Cl)nc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986398 722100985 /nfs/dbraw/zinc/10/09/85/722100985.db2.gz YXVROGVEOCTUSO-GOEBONIOSA-N 0 3 444.313 3.451 20 0 IGADHN COCc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccccc2)n1 ZINC001164976353 722102407 /nfs/dbraw/zinc/10/24/07/722102407.db2.gz CQJQERGSVJWJPC-VWNXMTODSA-N 0 3 445.567 3.412 20 0 IGADHN FC(F)(COc1ccnc(Cl)c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972557 722114462 /nfs/dbraw/zinc/11/44/62/722114462.db2.gz GBBRFJDECNXUFN-IEBWSBKVSA-N 0 3 438.906 3.325 20 0 IGADHN FC(F)(COc1cccc(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983078 722128073 /nfs/dbraw/zinc/12/80/73/722128073.db2.gz YAQCVSMLGBUYHE-QZTJIDSGSA-N 0 3 438.906 3.325 20 0 IGADHN Clc1nc2c(Cl)nccc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979686 722137563 /nfs/dbraw/zinc/13/75/63/722137563.db2.gz LSYCPITZRFFEAF-WBVHZDCISA-N 0 3 445.354 3.454 20 0 IGADHN COc1ccccc1-c1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164980886 722144637 /nfs/dbraw/zinc/14/46/37/722144637.db2.gz NHPJZEXDYSHTPV-YKSBVNFPSA-N 0 3 431.540 3.275 20 0 IGADHN Cc1nc(-c2ccncc2)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1C ZINC001164975076 722148907 /nfs/dbraw/zinc/14/89/07/722148907.db2.gz DTSWLCUBFNIKTM-XZOQPEGZSA-N 0 3 430.556 3.278 20 0 IGADHN c1cncc(CN2CCO[C@@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CC[C@@H]3C2)c1 ZINC001164973925 722151719 /nfs/dbraw/zinc/15/17/19/722151719.db2.gz NNMXDPSPYZTHAQ-NHCUHLMSSA-N 0 3 432.528 3.131 20 0 IGADHN Cc1nc(CN2CCO[C@H]3CCN(c4cc(Cl)nc5c4CCNC5)CC[C@H]32)cs1 ZINC001164990829 722184717 /nfs/dbraw/zinc/18/47/17/722184717.db2.gz RZXWWUGXVYIJSU-QUCCMNQESA-N 0 3 434.009 3.015 20 0 IGADHN CCc1cc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc(N2CCOCC2)n1 ZINC001164996345 722204645 /nfs/dbraw/zinc/20/46/45/722204645.db2.gz UEIGOFBKUMQHBG-XMMPIXPASA-N 0 3 425.552 3.260 20 0 IGADHN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@H]3NCCO[C@@H]3C2)cc1 ZINC001164388398 718824081 /nfs/dbraw/zinc/82/40/81/718824081.db2.gz BUTPGQLGMQCHHE-IAGOWNOFSA-N 0 3 437.874 3.301 20 0 IGADHN COC(=O)[C@@H]1CNCCN1C(F)(F)c1nc2cc(Cl)c(Cl)cc2nc1Cl ZINC001164621192 719134110 /nfs/dbraw/zinc/13/41/10/719134110.db2.gz LOKVVRKWXHIBJX-NSHDSACASA-N 0 3 425.650 3.086 20 0 IGADHN COCc1nn(-c2nc(CN3CCCC3)nc3sc4c(c32)CC[C@@H](C)C4)c2c1CNC2 ZINC001164713812 720078652 /nfs/dbraw/zinc/07/86/52/720078652.db2.gz UPGINHJTBMEJLF-CQSZACIVSA-N 0 3 438.601 3.347 20 0 IGADHN COc1ccc(-c2ccc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nn2)c(OC)c1OC ZINC001164728901 720466019 /nfs/dbraw/zinc/46/60/19/720466019.db2.gz PKDWRFZMYCYYMD-NHCUHLMSSA-N 0 3 447.539 3.418 20 0 IGADHN CCOC(=O)c1cc2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2[n-]1 ZINC001164840143 720573232 /nfs/dbraw/zinc/57/32/32/720573232.db2.gz RTSPFWZUXJTEIE-SFHLNBCPSA-N 0 3 436.560 3.314 20 0 IGADHN CCOC(=O)c1cc2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc2[n-]1 ZINC001164840143 720573238 /nfs/dbraw/zinc/57/32/38/720573238.db2.gz RTSPFWZUXJTEIE-SFHLNBCPSA-N 0 3 436.560 3.314 20 0 IGADHN c1sc2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1-c1ccccc1 ZINC001164744402 720658297 /nfs/dbraw/zinc/65/82/97/720658297.db2.gz ZTPVKGDOOIEJDO-ROUUACIJSA-N 0 3 430.537 3.490 20 0 IGADHN Fc1ccc(-c2ccc(Cl)nn2)c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164741867 720781619 /nfs/dbraw/zinc/78/16/19/720781619.db2.gz NGAYRIOUFHXUAL-CVEARBPZSA-N 0 3 426.883 3.068 20 0 IGADHN COc1ccc2nc(Cl)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164870649 721042291 /nfs/dbraw/zinc/04/22/91/721042291.db2.gz WNMZATPDQAMCCH-WMZOPIPTSA-N 0 3 425.920 3.167 20 0 IGADHN CCOC(=O)c1c(Cl)cc(C)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869566 721050857 /nfs/dbraw/zinc/05/08/57/721050857.db2.gz UICNZFCOLOSGFS-MSOLQXFVSA-N 0 3 430.936 3.095 20 0 IGADHN CCOC(=O)c1c(C)cc(Cl)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871476 721072430 /nfs/dbraw/zinc/07/24/30/721072430.db2.gz YYZSWKMLQMFWGW-ROUUACIJSA-N 0 3 430.936 3.095 20 0 IGADHN CCOC(=O)c1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc2ccccc21 ZINC001164865631 721085285 /nfs/dbraw/zinc/08/52/85/721085285.db2.gz NSHABPHKAALRDO-UXHICEINSA-N 0 3 432.524 3.286 20 0 IGADHN CCOC(=O)c1cnc(Cl)c(C)c1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164862856 721098405 /nfs/dbraw/zinc/09/84/05/721098405.db2.gz BGLUOQUMWXBJKJ-QZTJIDSGSA-N 0 3 430.936 3.095 20 0 IGADHN CCOc1cc2ncnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c2cc1OCC ZINC001164763392 721134284 /nfs/dbraw/zinc/13/42/84/721134284.db2.gz FLKCUZKMUOKLTO-RBUKOAKNSA-N 0 3 436.560 3.119 20 0 IGADHN CC(C)(C)OC(=O)Nc1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164873609 721135018 /nfs/dbraw/zinc/13/50/18/721135018.db2.gz IYVINUVDWGGSQR-UXHICEINSA-N 0 3 425.533 3.303 20 0 IGADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(C(=O)OCc5ccccc5)cn4)C[C@H]3C2)cn1 ZINC001164762530 721212888 /nfs/dbraw/zinc/21/28/88/721212888.db2.gz CRYWEGVCCFVROO-DHIUTWEWSA-N 0 3 431.540 3.130 20 0 IGADHN O=C(c1ccsc1)N1CCO[C@@H]2CN(c3ncccc3CN3CCCC3)CC[C@H]2C1 ZINC001164881993 721300271 /nfs/dbraw/zinc/30/02/71/721300271.db2.gz YZDZTERUYOSROA-GHTZIAJQSA-N 0 3 426.586 3.106 20 0 IGADHN COc1cc2cnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)cc2cc1OC ZINC001164893142 721438593 /nfs/dbraw/zinc/43/85/93/721438593.db2.gz JIINMAFCRAOURH-SQJMNOBHSA-N 0 3 440.588 3.017 20 0 IGADHN Cc1cc(NC(=O)c2cccnc2N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)no1 ZINC001164903537 721552202 /nfs/dbraw/zinc/55/22/02/721552202.db2.gz CCMCEVFYFKYXPB-IEBWSBKVSA-N 0 3 437.475 3.111 20 0 IGADHN CCOC(=O)Cc1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164904977 721705473 /nfs/dbraw/zinc/70/54/73/721705473.db2.gz GEBWWVILFMZYMN-QFIPXVFZSA-N 0 3 430.499 3.320 20 0 IGADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@H](CO)C3)c21 ZINC001165032977 721878310 /nfs/dbraw/zinc/87/83/10/721878310.db2.gz JXYKKHFKGOCQIR-KRWDZBQOSA-N 0 3 427.932 3.215 20 0 IGADHN Cc1cc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc(Cl)n1 ZINC001164963186 722054812 /nfs/dbraw/zinc/05/48/12/722054812.db2.gz HZTGUJAAZJKNOX-UHFFFAOYSA-N 0 3 437.922 3.497 20 0 IGADHN O=C1[C@H]2CCN(c3ccc(CN4CCCC4)cn3)C[C@H]2OCCN1Cc1cccc(F)c1 ZINC001164968825 722082343 /nfs/dbraw/zinc/08/23/43/722082343.db2.gz HSUHVARNRVCEGW-XZOQPEGZSA-N 0 3 438.547 3.070 20 0 IGADHN Clc1cc(-c2ccncc2)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164986055 722104243 /nfs/dbraw/zinc/10/42/43/722104243.db2.gz XVBHFCVJPBNTNM-TZIWHRDSSA-N 0 3 436.947 3.314 20 0 IGADHN FC(F)(c1nc(Cl)ncc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983885 722107135 /nfs/dbraw/zinc/10/71/35/722107135.db2.gz QVPICWBEIXZBQV-ZBFHGGJFSA-N 0 3 444.313 3.451 20 0 IGADHN COC(=O)c1ccc2ccnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164979257 722110979 /nfs/dbraw/zinc/11/09/79/722110979.db2.gz PQWABNJBLSFCFN-JTHBVZDNSA-N 0 3 432.524 3.144 20 0 IGADHN COc1cc2c(cc1Cl)ncnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981997 722120099 /nfs/dbraw/zinc/12/00/99/722120099.db2.gz VPYILDWYERGWRF-JTSKRJEESA-N 0 3 439.947 3.414 20 0 IGADHN c1ccc(COc2cnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cn2)cc1 ZINC001164984936 722133692 /nfs/dbraw/zinc/13/36/92/722133692.db2.gz YLFWGWCCMKDCJO-XZOQPEGZSA-N 0 3 431.540 3.178 20 0 IGADHN C[C@@H]1CCCN(C(=O)c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2)C1 ZINC001164972729 722139524 /nfs/dbraw/zinc/13/95/24/722139524.db2.gz AKTAITRQUUCABO-HUVFLSCGSA-N 0 3 449.599 3.076 20 0 IGADHN CC1CCN(C(=O)c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2)CC1 ZINC001164972636 722141016 /nfs/dbraw/zinc/14/10/16/722141016.db2.gz AFUJHLQGHDJWOY-RPWUZVMVSA-N 0 3 449.599 3.076 20 0 IGADHN COc1ccccc1-c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164985088 722141440 /nfs/dbraw/zinc/14/14/40/722141440.db2.gz ZELPULJERNHFIM-RDPSFJRHSA-N 0 3 431.540 3.275 20 0 IGADHN c1cncc(CN2CCO[C@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CC[C@H]3C2)c1 ZINC001164985499 722149357 /nfs/dbraw/zinc/14/93/57/722149357.db2.gz ZQZGBWZKPWXCFG-URXFXBBRSA-N 0 3 442.567 3.150 20 0 IGADHN COc1cc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ccc2c(OC)c1 ZINC001164976362 722153334 /nfs/dbraw/zinc/15/33/34/722153334.db2.gz WTGSGRYNXYZDEJ-DVECYGJZSA-N 0 3 434.540 3.374 20 0 IGADHN CCS(=O)(=O)c1cc(C(F)(F)N2C[C@H]3NCc4ccccc4[C@H]3C2)cnc1Cl ZINC001164430784 718948250 /nfs/dbraw/zinc/94/82/50/718948250.db2.gz YILKKNOMONAURO-HZPDHXFCSA-N 0 3 427.904 3.149 20 0 IGADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)CC2)CC1 ZINC001164618680 719030174 /nfs/dbraw/zinc/03/01/74/719030174.db2.gz ZQOVJOPZISPBTJ-UHFFFAOYSA-N 0 3 434.940 3.208 20 0 IGADHN O=C(c1cnc(N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c(Cl)c1)N1CCOCC1 ZINC001164629590 719099823 /nfs/dbraw/zinc/09/98/23/719099823.db2.gz STZUSANDUXOYBE-KNQAVFIVSA-N 0 3 440.975 3.308 20 0 IGADHN COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3[n-]c(C)nc31)CC2 ZINC001164719465 720108712 /nfs/dbraw/zinc/10/87/12/720108712.db2.gz XJTVXGFCJANAEC-QGZVFWFLSA-N 0 3 441.967 3.217 20 0 IGADHN COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3[n-]c(C)nc31)CC2 ZINC001164719465 720108714 /nfs/dbraw/zinc/10/87/14/720108714.db2.gz XJTVXGFCJANAEC-QGZVFWFLSA-N 0 3 441.967 3.217 20 0 IGADHN CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164727783 720384444 /nfs/dbraw/zinc/38/44/44/720384444.db2.gz RLFPSRBDTOFCOH-PMACEKPBSA-N 0 3 434.544 3.226 20 0 IGADHN c1ccc(N2CCN(c3cc(N4CC[C@H]5[C@@H]4CCN5Cc4cccnc4)ncn3)CC2)cc1 ZINC001164730089 720461040 /nfs/dbraw/zinc/46/10/40/720461040.db2.gz HQQCJQFGVPEYCW-ZEQRLZLVSA-N 0 3 441.583 3.051 20 0 IGADHN Fc1ccc(-c2nc(Cl)cc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164738901 720775109 /nfs/dbraw/zinc/77/51/09/720775109.db2.gz GYEXXMRSCRMSRJ-IAGOWNOFSA-N 0 3 426.883 3.068 20 0 IGADHN CN1C[C@H](COCC2CC2)[C@H]2CCN(c3ccc(CN4CCCC4)cn3)CC[C@H]2C1=O ZINC001164860261 721029741 /nfs/dbraw/zinc/02/97/41/721029741.db2.gz KOEFEDWHTQXQDV-DNVJHFABSA-N 0 3 426.605 3.025 20 0 IGADHN CCOC(=O)c1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc2ccccc21 ZINC001164865632 721085032 /nfs/dbraw/zinc/08/50/32/721085032.db2.gz NSHABPHKAALRDO-VQTJNVASSA-N 0 3 432.524 3.286 20 0 IGADHN COc1cccc2c1nc(Cl)nc2N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 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Cc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164877048 721174559 /nfs/dbraw/zinc/17/45/59/721174559.db2.gz OFWUGEKPKRWVMH-WOJBJXKFSA-N 0 3 436.947 3.375 20 0 IGADHN Cc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164877045 721174775 /nfs/dbraw/zinc/17/47/75/721174775.db2.gz OFWUGEKPKRWVMH-PMACEKPBSA-N 0 3 436.947 3.375 20 0 IGADHN COc1ccc(Oc2cc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc(C)n2)cc1 ZINC001164873572 721175235 /nfs/dbraw/zinc/17/52/35/721175235.db2.gz IQXCCFYJYOWXGA-NFBKMPQASA-N 0 3 447.539 3.461 20 0 IGADHN Cc1ccc(-c2nc3c(ncnc3N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)o2)cc1 ZINC001164771843 721205318 /nfs/dbraw/zinc/20/53/18/721205318.db2.gz REJLZNOWLDLNMZ-UXHICEINSA-N 0 3 429.528 3.285 20 0 IGADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(C(=O)OCc5ccccc5)cn4)C[C@@H]3C2)cn1 ZINC001164762534 721212012 /nfs/dbraw/zinc/21/20/12/721212012.db2.gz CRYWEGVCCFVROO-GOTSBHOMSA-N 0 3 431.540 3.130 20 0 IGADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5ccncc5)nc5sccc54)C[C@H]3C2)cn1 ZINC001164759474 721229014 /nfs/dbraw/zinc/22/90/14/721229014.db2.gz AMYJORRNUAPNIJ-RBUKOAKNSA-N 0 3 431.569 3.445 20 0 IGADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)ccc4CN4CCCC4)C3)O2)CC1 ZINC001164890598 721418128 /nfs/dbraw/zinc/41/81/28/721418128.db2.gz UCDPNPYSNFQCES-XUZZJYLKSA-N 0 3 448.055 3.096 20 0 IGADHN COc1cc2cnc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)cc2cc1OC ZINC001164893141 721438797 /nfs/dbraw/zinc/43/87/97/721438797.db2.gz JIINMAFCRAOURH-PXDATVDWSA-N 0 3 440.588 3.017 20 0 IGADHN O=C(NCc1ccccc1)c1cccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164899974 721515361 /nfs/dbraw/zinc/51/53/61/721515361.db2.gz MWROAUDICTVMCC-FYYLOGMGSA-N 0 3 446.526 3.493 20 0 IGADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CCN3C2)c1 ZINC001164910901 721554102 /nfs/dbraw/zinc/55/41/02/721554102.db2.gz XNFHWVRXTPIAKM-PZJWPPBQSA-N 0 3 448.498 3.396 20 0 IGADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncnc5c4ncn5-c4ccccc4)CCN3C2)c1 ZINC001164905892 721562559 /nfs/dbraw/zinc/56/25/59/721562559.db2.gz HUGQULFEPAYMFU-PZJWPPBQSA-N 0 3 430.487 3.297 20 0 IGADHN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1c1ncccc1CN1CCCC1 ZINC001164903054 721578928 /nfs/dbraw/zinc/57/89/28/721578928.db2.gz KOENWOLUQURYEB-QHCPKHFHSA-N 0 3 439.604 3.441 20 0 IGADHN CCOC(=O)Cc1cccnc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164904959 721587517 /nfs/dbraw/zinc/58/75/17/721587517.db2.gz IJQIANFJXPPRMU-JOCHJYFZSA-N 0 3 430.499 3.320 20 0 IGADHN COCCn1ccc2c1ncnc2N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906008 721708903 /nfs/dbraw/zinc/70/89/03/721708903.db2.gz JFRUKHUOZCCXTL-JOCHJYFZSA-N 0 3 442.514 3.210 20 0 IGADHN CCCNC(=O)c1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164909717 721725490 /nfs/dbraw/zinc/72/54/90/721725490.db2.gz DEBYUQMHHXACHR-QFIPXVFZSA-N 0 3 429.515 3.354 20 0 IGADHN COC(=O)/C=C/c1cc(C)cnc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963305 722058345 /nfs/dbraw/zinc/05/83/45/722058345.db2.gz WGHOUHYLOGZEIJ-ONEGZZNKSA-N 0 3 436.556 3.090 20 0 IGADHN COCc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001164976349 722102553 /nfs/dbraw/zinc/10/25/53/722102553.db2.gz CQJQERGSVJWJPC-LADGPHEKSA-N 0 3 445.567 3.412 20 0 IGADHN COc1cccc2c1nc(Cl)nc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972537 722116405 /nfs/dbraw/zinc/11/64/05/722116405.db2.gz FYCXZNWDCOWFQO-YLJYHZDGSA-N 0 3 439.947 3.414 20 0 IGADHN COc1ccc2nc(Cl)cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2n1 ZINC001164983763 722122571 /nfs/dbraw/zinc/12/25/71/722122571.db2.gz ZZGUVYIYLKXMRF-FXAWDEMLSA-N 0 3 439.947 3.414 20 0 IGADHN Clc1ccc(CN2CCCC2)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983730 722125386 /nfs/dbraw/zinc/12/53/86/722125386.db2.gz ZIJYEQICOVAYQT-UNMCSNQZSA-N 0 3 442.007 3.453 20 0 IGADHN COc1cc2cnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cc2cc1OC ZINC001164983283 722145896 /nfs/dbraw/zinc/14/58/96/722145896.db2.gz SXSGLYYWXCSRGD-YADARESESA-N 0 3 434.540 3.374 20 0 IGADHN Fc1ccc2c(c1)[nH]c1ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164971058 722157787 /nfs/dbraw/zinc/15/77/87/722157787.db2.gz ACBHSUXZBADJME-LAUBAEHRSA-N 0 3 432.503 3.373 20 0 IGADHN Cc1nc(CN2CCO[C@H]3CCN(c4ccc(CN5CCCC5)cn4)CC[C@H]32)cs1 ZINC001164992906 722185058 /nfs/dbraw/zinc/18/50/58/722185058.db2.gz XUZJOIJISMOTFJ-YADHBBJMSA-N 0 3 427.618 3.312 20 0 IGADHN Cc1nc(CN2CCO[C@H]3CCN(c4ncccc4CN4CCCC4)CC[C@@H]32)cs1 ZINC001164990907 722186511 /nfs/dbraw/zinc/18/65/11/722186511.db2.gz SIBCNIBHPPQXMF-VXKWHMMOSA-N 0 3 427.618 3.312 20 0 IGADHN Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CC[C@H]3NCCO[C@H]3C2)c2ccccc21 ZINC001164390769 718823527 /nfs/dbraw/zinc/82/35/27/718823527.db2.gz QQPRLVKRPVZMDL-AEFFLSMTSA-N 0 3 433.890 3.401 20 0 IGADHN Cc1cc2nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nc(N3CCOCC3)c2s1 ZINC001164731006 720402620 /nfs/dbraw/zinc/40/26/20/720402620.db2.gz XWNIZTIDFGFTLJ-WOJBJXKFSA-N 0 3 436.585 3.085 20 0 IGADHN c1cn(Cc2ccccc2)c2ncnc(N3CCc4ncc(CN5CCCC5)n4CC3)c12 ZINC001164730364 720568651 /nfs/dbraw/zinc/56/86/51/720568651.db2.gz VADNAYUJJQNFJB-UHFFFAOYSA-N 0 3 427.556 3.335 20 0 IGADHN Fc1ccc(Oc2ccc(Cl)nn2)c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164743398 720760023 /nfs/dbraw/zinc/76/00/23/720760023.db2.gz PVAYLBWCAHZENS-CVEARBPZSA-N 0 3 442.882 3.193 20 0 IGADHN c1cc(-c2nc3ccccc3c(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cs1 ZINC001164745390 720766416 /nfs/dbraw/zinc/76/64/16/720766416.db2.gz VNUDMFMOJPSLMW-ZWKOTPCHSA-N 0 3 430.537 3.490 20 0 IGADHN COc1ccc2nc(Cl)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164870643 721042312 /nfs/dbraw/zinc/04/23/12/721042312.db2.gz WNMZATPDQAMCCH-FUHWJXTLSA-N 0 3 425.920 3.167 20 0 IGADHN CCOc1cc2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2cc1OCC ZINC001164866935 721090724 /nfs/dbraw/zinc/09/07/24/721090724.db2.gz VGVTYOGEGONCKS-UXHICEINSA-N 0 3 449.555 3.302 20 0 IGADHN Cn1cc(CN2CC[C@H]3CN(c4cc(C(=O)N5CCCCC5)cc(Cl)n4)C[C@H]3C2)cn1 ZINC001164774177 721093731 /nfs/dbraw/zinc/09/37/31/721093731.db2.gz YZHZJOSSHHHONI-AZUAARDMSA-N 0 3 442.995 3.053 20 0 IGADHN CC(C)(C)c1noc(-c2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2)n1 ZINC001164872055 721128769 /nfs/dbraw/zinc/12/87/69/721128769.db2.gz GEVUNCGEFFUETA-UXHICEINSA-N 0 3 434.544 3.304 20 0 IGADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5c4ccn5Cc4ccccc4)C[C@H]3C2)cn1 ZINC001164764987 721145746 /nfs/dbraw/zinc/14/57/46/721145746.db2.gz IRDOFSJKPGTMOC-FCHUYYIVSA-N 0 3 427.556 3.171 20 0 IGADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5c4ccn5Cc4ccc(F)cc4)C[C@H]3C2)cn1 ZINC001164763408 721145851 /nfs/dbraw/zinc/14/58/51/721145851.db2.gz FORHUWCEGOCSSD-LEWJYISDSA-N 0 3 445.546 3.311 20 0 IGADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5ccncc5)nc5sccc54)C[C@@H]3C2)cn1 ZINC001164759471 721229489 /nfs/dbraw/zinc/22/94/89/721229489.db2.gz AMYJORRNUAPNIJ-MOPGFXCFSA-N 0 3 431.569 3.445 20 0 IGADHN CC(C)(C)OC(=O)Nc1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncn1 ZINC001164902062 721519341 /nfs/dbraw/zinc/51/93/41/721519341.db2.gz YWNQXCXXDKIEMB-SJLPKXTDSA-N 0 3 429.496 3.305 20 0 IGADHN CC(C)(C)OC(=O)Nc1cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ncn1 ZINC001164902063 721519804 /nfs/dbraw/zinc/51/98/04/721519804.db2.gz YWNQXCXXDKIEMB-WMZOPIPTSA-N 0 3 429.496 3.305 20 0 IGADHN CCOC(=O)c1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc1OCC ZINC001164911284 721531844 /nfs/dbraw/zinc/53/18/44/721531844.db2.gz VYHRSJYHRKNWLA-PKOBYXMFSA-N 0 3 429.492 3.138 20 0 IGADHN CCOC(=O)c1ccc2ncnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001164912058 721533717 /nfs/dbraw/zinc/53/37/17/721533717.db2.gz YMJHTHDGYPJDGZ-ICSRJNTNSA-N 0 3 436.487 3.288 20 0 IGADHN Cc1cc(NC(=O)c2cccnc2N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)no1 ZINC001164903538 721551496 /nfs/dbraw/zinc/55/14/96/721551496.db2.gz CCMCEVFYFKYXPB-MJGOQNOKSA-N 0 3 437.475 3.111 20 0 IGADHN NC(=S)c1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c2sccc21 ZINC001164907585 721567653 /nfs/dbraw/zinc/56/76/53/721567653.db2.gz OSBUIESZPXKNND-ZBFHGGJFSA-N 0 3 428.558 3.412 20 0 IGADHN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)n1 ZINC001164966929 722075734 /nfs/dbraw/zinc/07/57/34/722075734.db2.gz HHXQYMKATQIBOA-KDURUIRLSA-N 0 3 429.634 3.449 20 0 IGADHN CCOC(=O)c1cnc(Cl)cc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164974656 722099771 /nfs/dbraw/zinc/09/97/71/722099771.db2.gz BFJGDAKKSSMEGS-XLIONFOSSA-N 0 3 430.936 3.034 20 0 IGADHN FC(F)(c1nc(Cl)cc(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983976 722103621 /nfs/dbraw/zinc/10/36/21/722103621.db2.gz RJWUYDHBAYNCHI-GJZGRUSLSA-N 0 3 444.313 3.451 20 0 IGADHN FC(F)(COc1ccnc(Cl)c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972564 722114768 /nfs/dbraw/zinc/11/47/68/722114768.db2.gz GBBRFJDECNXUFN-PKOBYXMFSA-N 0 3 438.906 3.325 20 0 IGADHN COc1ccc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)n1 ZINC001164973890 722115945 /nfs/dbraw/zinc/11/59/45/722115945.db2.gz HVEKDBQXWGFKSO-SJLPKXTDSA-N 0 3 438.906 3.411 20 0 IGADHN COc1ccc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164975586 722125372 /nfs/dbraw/zinc/12/53/72/722125372.db2.gz JXCZLSNJWSIGIU-FUHWJXTLSA-N 0 3 438.906 3.411 20 0 IGADHN FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982021 722134635 /nfs/dbraw/zinc/13/46/35/722134635.db2.gz QROAWYYNYMTUFP-LSDHHAIUSA-N 0 3 441.935 3.086 20 0 IGADHN FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982019 722134713 /nfs/dbraw/zinc/13/47/13/722134713.db2.gz QROAWYYNYMTUFP-HUUCEWRRSA-N 0 3 441.935 3.086 20 0 IGADHN Clc1nc2c(Cl)nccc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979684 722137928 /nfs/dbraw/zinc/13/79/28/722137928.db2.gz LSYCPITZRFFEAF-RDJZCZTQSA-N 0 3 445.354 3.454 20 0 IGADHN c1ccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c(N3CCCC3)nc2c1 ZINC001164980879 722138468 /nfs/dbraw/zinc/13/84/68/722138468.db2.gz NHJLCAGAAIOKED-QPPBQGQZSA-N 0 3 444.583 3.352 20 0 IGADHN COc1cccc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)c1 ZINC001164983312 722141358 /nfs/dbraw/zinc/14/13/58/722141358.db2.gz TYLBEAXEHZUASK-URXFXBBRSA-N 0 3 431.540 3.275 20 0 IGADHN COc1ccccc1-c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164985085 722141587 /nfs/dbraw/zinc/14/15/87/722141587.db2.gz ZELPULJERNHFIM-HYBUGGRVSA-N 0 3 431.540 3.275 20 0 IGADHN FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980896 722145401 /nfs/dbraw/zinc/14/54/01/722145401.db2.gz NKHITMSFERZDRT-NVXWUHKLSA-N 0 3 448.905 3.279 20 0 IGADHN COC(=O)c1cccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ccc21 ZINC001164977097 722149780 /nfs/dbraw/zinc/14/97/80/722149780.db2.gz ISHDQROOVMDSNJ-WMZHIEFXSA-N 0 3 432.524 3.144 20 0 IGADHN Cc1nc(CN2CCO[C@H]3CCN(c4cc(N5CCCC5)nc(C)n4)CC[C@@H]32)cs1 ZINC001164987081 722176027 /nfs/dbraw/zinc/17/60/27/722176027.db2.gz MJJNLRKOLJBHOS-PMACEKPBSA-N 0 3 428.606 3.020 20 0 IGADHN Cc1cccc(CN2C(=O)COC3(CCN(c4ccc(CN(C)C5CC5)cn4)CC3)[C@@H]2C)n1 ZINC001164428918 718951992 /nfs/dbraw/zinc/95/19/92/718951992.db2.gz MAFOKNXNXUUYJZ-FQEVSTJZSA-N 0 3 449.599 3.166 20 0 IGADHN Cc1ccc(S(=O)(=O)n2ccc3c2nc(Cl)nc3N2C[C@H](C)N(C)C[C@H]2C)cc1 ZINC001164632955 719171416 /nfs/dbraw/zinc/17/14/16/719171416.db2.gz GAIBVQVZWCFKFB-LSDHHAIUSA-N 0 3 433.965 3.159 20 0 IGADHN CC(C)N(C)Cc1nn(C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)c2c1CCNC2 ZINC001164684985 719609081 /nfs/dbraw/zinc/60/90/81/719609081.db2.gz PQVYIHPAAHBDHM-UHFFFAOYSA-N 0 3 439.942 3.010 20 0 IGADHN CNC(=O)CN1CCCC12CCN(c1cnc(Cl)nc1Oc1ccc(OC)cc1)CC2 ZINC001164689320 719756530 /nfs/dbraw/zinc/75/65/30/719756530.db2.gz ATOXZJKWXDJLSZ-UHFFFAOYSA-N 0 3 445.951 3.112 20 0 IGADHN COc1cccc(NC(=O)c2nc3c(s2)CCN(c2cc(CN(C)C)ccn2)CC3)c1 ZINC001164712341 720088481 /nfs/dbraw/zinc/08/84/81/720088481.db2.gz OVZMZZPNULGJCZ-UHFFFAOYSA-N 0 3 437.569 3.466 20 0 IGADHN c1ccc(N2CCN(c3cc(N4CC[C@H]5[C@H]4CCN5Cc4cccnc4)ncn3)CC2)cc1 ZINC001164730080 720460691 /nfs/dbraw/zinc/46/06/91/720460691.db2.gz HQQCJQFGVPEYCW-BJKOFHAPSA-N 0 3 441.583 3.051 20 0 IGADHN COC(=O)c1ccc(C(F)(F)N2CCCn3cnc(CNC4CCC4)c3C2)c(Cl)n1 ZINC001164836123 720738785 /nfs/dbraw/zinc/73/87/85/720738785.db2.gz APHHLQVDZXWJEA-UHFFFAOYSA-N 0 3 439.894 3.315 20 0 IGADHN Fc1ccc(Oc2ccc(Cl)nn2)c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164743400 720760069 /nfs/dbraw/zinc/76/00/69/720760069.db2.gz PVAYLBWCAHZENS-HOTGVXAUSA-N 0 3 442.882 3.193 20 0 IGADHN CC(C)(c1ccnc(Cl)c1)N1CC[C@@H]2OCC[C@@H](C(=O)NCc3ccccn3)[C@H]2C1 ZINC001164760080 721023148 /nfs/dbraw/zinc/02/31/48/721023148.db2.gz NUGJHBREKKCZRS-AQNXPRMDSA-N 0 3 428.964 3.409 20 0 IGADHN COCc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001164865857 721051335 /nfs/dbraw/zinc/05/13/35/721051335.db2.gz APVCQYMHTWBYLB-PKTZIBPZSA-N 0 3 431.540 3.165 20 0 IGADHN CCOC(=O)c1c(C)cc(Cl)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871474 721072852 /nfs/dbraw/zinc/07/28/52/721072852.db2.gz YYZSWKMLQMFWGW-MSOLQXFVSA-N 0 3 430.936 3.095 20 0 IGADHN COc1cccc2nc(Cl)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c21 ZINC001164866193 721098083 /nfs/dbraw/zinc/09/80/83/721098083.db2.gz RUEYRKTWXARRMP-SJORKVTESA-N 0 3 425.920 3.167 20 0 IGADHN CCN(CC)C(=O)c1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164867221 721101501 /nfs/dbraw/zinc/10/15/01/721101501.db2.gz XAZYTGVYQRQDBJ-UXHICEINSA-N 0 3 443.979 3.092 20 0 IGADHN O=C(c1ccsc1)N1CCO[C@H]2CN(c3ccc(CN4CCCC4)cn3)CC[C@H]2C1 ZINC001164876609 721298638 /nfs/dbraw/zinc/29/86/38/721298638.db2.gz JPDDPNHJVYNQSQ-FPOVZHCZSA-N 0 3 426.586 3.106 20 0 IGADHN COC(=O)c1cc2c(nc1N1CCCC1)CCN(c1ccc(CN3CCCC3)cn1)CC2 ZINC001164775350 721308611 /nfs/dbraw/zinc/30/86/11/721308611.db2.gz CFSOVDDOPXDOFD-UHFFFAOYSA-N 0 3 435.572 3.064 20 0 IGADHN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cc(N4CCCC4)nc(C)n3)C2)C1 ZINC001164777716 721335418 /nfs/dbraw/zinc/33/54/18/721335418.db2.gz PRXJPUPCPGRJNI-DEOSSOPVSA-N 0 3 440.592 3.109 20 0 IGADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5c(Cl)ncnc54)CCN3C2)c1 ZINC001164911078 721561663 /nfs/dbraw/zinc/56/16/63/721561663.db2.gz YHFGKRWYOMIASH-TZMCWYRMSA-N 0 3 435.290 3.208 20 0 IGADHN Cc1nc2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2[nH]1 ZINC001164907405 721697035 /nfs/dbraw/zinc/69/70/35/721697035.db2.gz SGMWBYIRQKXUHH-LJQANCHMSA-N 0 3 433.894 3.447 20 0 IGADHN COc1cnc2c(c1)ncnc2N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164904251 721718894 /nfs/dbraw/zinc/71/88/94/721718894.db2.gz AYLPKIZDMCXPOH-NRFANRHFSA-N 0 3 426.471 3.166 20 0 IGADHN CCOC(=O)/C=C/c1ccc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1 ZINC001164961649 722057871 /nfs/dbraw/zinc/05/78/71/722057871.db2.gz NQKDRLPNTYICJU-GQCTYLIASA-N 0 3 436.556 3.172 20 0 IGADHN CC1CCN(c2ccc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nn2)CC1 ZINC001164960002 722060029 /nfs/dbraw/zinc/06/00/29/722060029.db2.gz CIRHDSZHFJBIDS-UHFFFAOYSA-N 0 3 436.604 3.227 20 0 IGADHN FC(F)(Oc1cnc(Cl)cn1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164966915 722062291 /nfs/dbraw/zinc/06/22/91/722062291.db2.gz YZVLOWGLDLXBKK-UHFFFAOYSA-N 0 3 439.894 3.069 20 0 IGADHN CN(Cc1ccc(N2CC[C@@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@@H]3C2)nc1)C1CC1 ZINC001164968584 722082552 /nfs/dbraw/zinc/08/25/52/722082552.db2.gz DUPJVUGVRZHIOX-XZOQPEGZSA-N 0 3 438.547 3.069 20 0 IGADHN Clc1nc2c(c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n1)CSCC2 ZINC001164979995 722104126 /nfs/dbraw/zinc/10/41/26/722104126.db2.gz IQNNPOPKMBPNFO-QFBILLFUSA-N 0 3 431.993 3.042 20 0 IGADHN CSc1nc2c(c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n1)CCCC2 ZINC001164981839 722113989 /nfs/dbraw/zinc/11/39/89/722113989.db2.gz VIJOXCFJQBTWQP-GHTZIAJQSA-N 0 3 425.602 3.200 20 0 IGADHN COc1ccc2nc(Cl)cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2n1 ZINC001164983766 722122364 /nfs/dbraw/zinc/12/23/64/722122364.db2.gz ZZGUVYIYLKXMRF-YLJYHZDGSA-N 0 3 439.947 3.414 20 0 IGADHN COc1cccc2nc(Cl)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164972442 722123609 /nfs/dbraw/zinc/12/36/09/722123609.db2.gz FJQPCRMFCWBHHD-YLJYHZDGSA-N 0 3 439.947 3.414 20 0 IGADHN COc1cc2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2cc1OC ZINC001164974044 722126937 /nfs/dbraw/zinc/12/69/37/722126937.db2.gz IHKCNGJZYURZGF-HYBUGGRVSA-N 0 3 434.540 3.374 20 0 IGADHN COc1ccc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164973385 722140168 /nfs/dbraw/zinc/14/01/68/722140168.db2.gz CAYTWHUUAHENNE-URXFXBBRSA-N 0 3 431.540 3.275 20 0 IGADHN COc1cccc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)c1 ZINC001164983313 722141757 /nfs/dbraw/zinc/14/17/57/722141757.db2.gz TYLBEAXEHZUASK-XUZZJYLKSA-N 0 3 431.540 3.275 20 0 IGADHN NC(=S)c1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c2sccc21 ZINC001164972234 722158046 /nfs/dbraw/zinc/15/80/46/722158046.db2.gz HLJREFZNFKBFIU-LPHOPBHVSA-N 0 3 439.610 3.053 20 0 IGADHN Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CC[C@H]3NCCO[C@@H]3C2)c2ccccc21 ZINC001164390771 718823724 /nfs/dbraw/zinc/82/37/24/718823724.db2.gz QQPRLVKRPVZMDL-SJLPKXTDSA-N 0 3 433.890 3.401 20 0 IGADHN Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CC[C@@H]3NCCO[C@H]3C2)c2ccccc21 ZINC001164390772 718823806 /nfs/dbraw/zinc/82/38/06/718823806.db2.gz QQPRLVKRPVZMDL-WMZOPIPTSA-N 0 3 433.890 3.401 20 0 IGADHN Fc1ccccc1Cn1cnc2c1ncnc2N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164731012 720401122 /nfs/dbraw/zinc/40/11/22/720401122.db2.gz XZVDWJWULUJWRW-NHCUHLMSSA-N 0 3 429.503 3.262 20 0 IGADHN FC(F)[C@](F)(COc1cncc(Cl)n1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164844751 720739965 /nfs/dbraw/zinc/73/99/65/720739965.db2.gz SZPNXGXJJIELSC-IBGZPJMESA-N 0 3 444.889 3.184 20 0 IGADHN c1cc(-c2nc3ccccc3c(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cs1 ZINC001164745387 720766961 /nfs/dbraw/zinc/76/69/61/720766961.db2.gz VNUDMFMOJPSLMW-ROUUACIJSA-N 0 3 430.537 3.490 20 0 IGADHN FC(F)c1nc2ccc(Cl)cc2c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164747683 720800181 /nfs/dbraw/zinc/80/01/81/720800181.db2.gz PAXMLSNWABZTBJ-UONOGXRCSA-N 0 3 432.862 3.353 20 0 IGADHN COc1cccc2c1nc(Cl)nc2N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164863348 721085965 /nfs/dbraw/zinc/08/59/65/721085965.db2.gz CBQNYWWBGAXRHQ-IAGOWNOFSA-N 0 3 425.920 3.167 20 0 IGADHN O=C(Nc1ccccc1)c1ccnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164865031 721092947 /nfs/dbraw/zinc/09/29/47/721092947.db2.gz IBYCSXMKJWDQMV-PKTZIBPZSA-N 0 3 429.524 3.209 20 0 IGADHN CN(C)c1ccc(-c2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164880720 721122853 /nfs/dbraw/zinc/12/28/53/721122853.db2.gz XFLHOJYQPBHHGL-PKTZIBPZSA-N 0 3 430.556 3.084 20 0 IGADHN CN(C)c1ccc(-c2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164880721 721124180 /nfs/dbraw/zinc/12/41/80/721124180.db2.gz XFLHOJYQPBHHGL-XZOQPEGZSA-N 0 3 430.556 3.084 20 0 IGADHN Cc1ccc(-c2nc3c(ncnc3N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)o2)cc1 ZINC001164871092 721150979 /nfs/dbraw/zinc/15/09/79/721150979.db2.gz DMUKKINMCNSPOD-SFTDATJTSA-N 0 3 442.523 3.468 20 0 IGADHN CCOc1ccc(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1 ZINC001164872793 721162103 /nfs/dbraw/zinc/16/21/03/721162103.db2.gz IJXLSFKCRPTUHK-FYYLOGMGSA-N 0 3 431.540 3.417 20 0 IGADHN Cc1ccc(-c2nc3c(ncnc3N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)o2)cc1 ZINC001164771845 721206128 /nfs/dbraw/zinc/20/61/28/721206128.db2.gz REJLZNOWLDLNMZ-WOJBJXKFSA-N 0 3 429.528 3.285 20 0 IGADHN CN(Cc1ccc(N2CC[C@H]3CN(C(=O)c4ccsc4)CCO[C@H]3C2)nc1)C1CC1 ZINC001164876605 721299213 /nfs/dbraw/zinc/29/92/13/721299213.db2.gz JJAWOZJPZWEULU-RXVVDRJESA-N 0 3 426.586 3.105 20 0 IGADHN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cc(Cl)nc4[nH]cnc43)C2)C1 ZINC001164779483 721347892 /nfs/dbraw/zinc/34/78/92/721347892.db2.gz UGIMYDPJJVFUKA-NRFANRHFSA-N 0 3 430.940 3.335 20 0 IGADHN CCOC(=O)c1cnc(C2CC2)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908262 721533742 /nfs/dbraw/zinc/53/37/42/721533742.db2.gz PPABFFFXUPWEFZ-IEBWSBKVSA-N 0 3 426.492 3.012 20 0 IGADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)nc5c(Cl)ncnc54)CCN3C2)c1 ZINC001164911072 721561652 /nfs/dbraw/zinc/56/16/52/721561652.db2.gz YHFGKRWYOMIASH-JSGCOSHPSA-N 0 3 435.290 3.208 20 0 IGADHN Cc1cn(-c2ccc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)nn2)cn1 ZINC001164906499 721715060 /nfs/dbraw/zinc/71/50/60/721715060.db2.gz MJIZZYODMMQCGO-OAQYLSRUSA-N 0 3 425.487 3.103 20 0 IGADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@@H](CO)C3)c21 ZINC001165032978 721878512 /nfs/dbraw/zinc/87/85/12/721878512.db2.gz JXYKKHFKGOCQIR-QGZVFWFLSA-N 0 3 427.932 3.215 20 0 IGADHN COc1cc2ncnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c2cc1OC ZINC001164958085 722053632 /nfs/dbraw/zinc/05/36/32/722053632.db2.gz BTJZLRRXLAYSRS-UHFFFAOYSA-N 0 3 449.555 3.161 20 0 IGADHN CCOC(=O)c1cnc(Cl)cc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164974653 722099897 /nfs/dbraw/zinc/09/98/97/722099897.db2.gz BFJGDAKKSSMEGS-PXNSSMCTSA-N 0 3 430.936 3.034 20 0 IGADHN Clc1nc2c(c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n1)CSCC2 ZINC001164979988 722104249 /nfs/dbraw/zinc/10/42/49/722104249.db2.gz IQNNPOPKMBPNFO-APWZRJJASA-N 0 3 431.993 3.042 20 0 IGADHN COc1cccc2c1nc(Cl)nc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972534 722116205 /nfs/dbraw/zinc/11/62/05/722116205.db2.gz FYCXZNWDCOWFQO-XLIONFOSSA-N 0 3 439.947 3.414 20 0 IGADHN COc1cc2ccnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2cc1OC ZINC001164980559 722121948 /nfs/dbraw/zinc/12/19/48/722121948.db2.gz RVMYKNUHCLZGSO-GBXCKJPGSA-N 0 3 434.540 3.374 20 0 IGADHN COc1ccc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164975587 722124925 /nfs/dbraw/zinc/12/49/25/722124925.db2.gz JXCZLSNJWSIGIU-SJLPKXTDSA-N 0 3 438.906 3.411 20 0 IGADHN COc1cccc(Oc2cncc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164977101 722131502 /nfs/dbraw/zinc/13/15/02/722131502.db2.gz ITAUVXURQIRPFN-NFBKMPQASA-N 0 3 447.539 3.400 20 0 IGADHN COc1cc2cnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cc2cc1OC ZINC001164983281 722145676 /nfs/dbraw/zinc/14/56/76/722145676.db2.gz SXSGLYYWXCSRGD-NTKDMRAZSA-N 0 3 434.540 3.374 20 0 IGADHN Cc1nc(-c2ccccn2)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1C ZINC001164978048 722148894 /nfs/dbraw/zinc/14/88/94/722148894.db2.gz JKDPXASXFDJEQS-FYYLOGMGSA-N 0 3 430.556 3.278 20 0 IGADHN COC(=O)c1cccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ccc21 ZINC001164977095 722149448 /nfs/dbraw/zinc/14/94/48/722149448.db2.gz ISHDQROOVMDSNJ-AUSIDOKSSA-N 0 3 432.524 3.144 20 0 IGADHN Fc1ccc2c(c1)[nH]c1ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164971057 722158461 /nfs/dbraw/zinc/15/84/61/722158461.db2.gz ACBHSUXZBADJME-DYESRHJHSA-N 0 3 432.503 3.373 20 0 IGADHN Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(CN(C)C5CC5)cn4)CC[C@H]32)cs1 ZINC001164992988 722185691 /nfs/dbraw/zinc/18/56/91/722185691.db2.gz YMUIUHIXOQGNQH-FGZHOGPDSA-N 0 3 427.618 3.311 20 0 IGADHN Cc1cccc(CN2C(=O)COC3(CCN(c4ccc(CN5CCCC5)cn4)CC3)[C@H]2C)n1 ZINC001164430747 718951007 /nfs/dbraw/zinc/95/10/07/718951007.db2.gz XNPITOUDUWQLCY-OAQYLSRUSA-N 0 3 449.599 3.167 20 0 IGADHN CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c12 ZINC001164721744 720331352 /nfs/dbraw/zinc/33/13/52/720331352.db2.gz DGRDENDXLMIEGJ-RBUKOAKNSA-N 0 3 442.523 3.307 20 0 IGADHN Cc1cc2nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nc(N3CCOCC3)c2s1 ZINC001164731005 720403020 /nfs/dbraw/zinc/40/30/20/720403020.db2.gz XWNIZTIDFGFTLJ-VQTJNVASSA-N 0 3 436.585 3.085 20 0 IGADHN c1ccc(N2CCN(c3cc(N4CC[C@@H]5[C@@H]4CCN5Cc4cccnc4)ncn3)CC2)cc1 ZINC001164730087 720460196 /nfs/dbraw/zinc/46/01/96/720460196.db2.gz HQQCJQFGVPEYCW-RPWUZVMVSA-N 0 3 441.583 3.051 20 0 IGADHN COc1ccc(-c2ccc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nn2)c(OC)c1OC ZINC001164728904 720466458 /nfs/dbraw/zinc/46/64/58/720466458.db2.gz PKDWRFZMYCYYMD-SFTDATJTSA-N 0 3 447.539 3.418 20 0 IGADHN CCOC(=O)c1cc2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2[n-]1 ZINC001164840141 720572987 /nfs/dbraw/zinc/57/29/87/720572987.db2.gz RTSPFWZUXJTEIE-QKNQBKEWSA-N 0 3 436.560 3.314 20 0 IGADHN CCOC(=O)c1cc2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc2[n-]1 ZINC001164840141 720572992 /nfs/dbraw/zinc/57/29/92/720572992.db2.gz RTSPFWZUXJTEIE-QKNQBKEWSA-N 0 3 436.560 3.314 20 0 IGADHN CCOC(=O)c1cc2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc2[n-]1 ZINC001164840139 720573329 /nfs/dbraw/zinc/57/33/29/720573329.db2.gz RTSPFWZUXJTEIE-IRFCIJBXSA-N 0 3 436.560 3.314 20 0 IGADHN CCOC(=O)c1cc2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc2[n-]1 ZINC001164840139 720573346 /nfs/dbraw/zinc/57/33/46/720573346.db2.gz RTSPFWZUXJTEIE-IRFCIJBXSA-N 0 3 436.560 3.314 20 0 IGADHN Clc1ccc(CN2CCCC2)c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164864576 721101673 /nfs/dbraw/zinc/10/16/73/721101673.db2.gz GMYPNAKCMGYSFW-LEWJYISDSA-N 0 3 427.980 3.206 20 0 IGADHN CCOc1ccc(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)cc1 ZINC001164872799 721162036 /nfs/dbraw/zinc/16/20/36/721162036.db2.gz IJXLSFKCRPTUHK-JTHBVZDNSA-N 0 3 431.540 3.417 20 0 IGADHN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ccc(CN(C)C4CC4)cn3)C2)C1 ZINC001164780760 721369039 /nfs/dbraw/zinc/36/90/39/721369039.db2.gz HELOBKDNAWLPMP-RUZDIDTESA-N 0 3 439.604 3.400 20 0 IGADHN COc1cc2ccnc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c2cc1F ZINC001164886066 721448579 /nfs/dbraw/zinc/44/85/79/721448579.db2.gz GIYUOLGBMJSMLV-NTKDMRAZSA-N 0 3 428.552 3.148 20 0 IGADHN O=C(NCc1ccccc1)c1cccnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899978 721514975 /nfs/dbraw/zinc/51/49/75/721514975.db2.gz MWROAUDICTVMCC-GMAHTHKFSA-N 0 3 446.526 3.493 20 0 IGADHN O=C(NC1CC1)c1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164904904 721707786 /nfs/dbraw/zinc/70/77/86/721707786.db2.gz FKLKBRYEQCNXLM-QFIPXVFZSA-N 0 3 427.499 3.107 20 0 IGADHN C[C@@H]1CCCN(c2cc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)ncn2)C1 ZINC001164963399 722060844 /nfs/dbraw/zinc/06/08/44/722060844.db2.gz YJTZSRIAFGKRDW-OAQYLSRUSA-N 0 3 436.604 3.227 20 0 IGADHN O=C(NC1CCCCC1)c1cccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986105 722103186 /nfs/dbraw/zinc/10/31/86/722103186.db2.gz YANBDNBJAFLNGK-ZJSXRUAMSA-N 0 3 449.599 3.266 20 0 IGADHN Clc1cc(-c2ccncc2)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164986047 722104388 /nfs/dbraw/zinc/10/43/88/722104388.db2.gz XVBHFCVJPBNTNM-FPOVZHCZSA-N 0 3 436.947 3.314 20 0 IGADHN CCOC(=O)c1cc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1C ZINC001164971882 722116892 /nfs/dbraw/zinc/11/68/92/722116892.db2.gz CZGPKQCMLJTERK-AZUAARDMSA-N 0 3 444.963 3.342 20 0 IGADHN COc1cc2nc(C)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2cc1OC ZINC001164982475 722119470 /nfs/dbraw/zinc/11/94/70/722119470.db2.gz WQADPYMMFBUGRH-DVECYGJZSA-N 0 3 449.555 3.078 20 0 IGADHN O=C(Nc1ccccc1)c1ccnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164979782 722120440 /nfs/dbraw/zinc/12/04/40/722120440.db2.gz PYAGGKIQONQCRN-UPVQGACJSA-N 0 3 443.551 3.456 20 0 IGADHN COc1ccc2nc(Cl)cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2n1 ZINC001164983765 722122082 /nfs/dbraw/zinc/12/20/82/722122082.db2.gz ZZGUVYIYLKXMRF-XLIONFOSSA-N 0 3 439.947 3.414 20 0 IGADHN COc1ccc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164975588 722125134 /nfs/dbraw/zinc/12/51/34/722125134.db2.gz JXCZLSNJWSIGIU-WMZOPIPTSA-N 0 3 438.906 3.411 20 0 IGADHN COc1cccc(Oc2cncc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164977103 722131618 /nfs/dbraw/zinc/13/16/18/722131618.db2.gz ITAUVXURQIRPFN-OFNKIYASSA-N 0 3 447.539 3.400 20 0 IGADHN C[C@@H]1CCCN(C(=O)c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2)C1 ZINC001164972723 722139501 /nfs/dbraw/zinc/13/95/01/722139501.db2.gz AKTAITRQUUCABO-AGILITTLSA-N 0 3 449.599 3.076 20 0 IGADHN FC(F)(c1c2c(nnc1Cl)CCC2)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982714 722143065 /nfs/dbraw/zinc/14/30/65/722143065.db2.gz SETMZUXMSALMOM-QFBILLFUSA-N 0 3 449.933 3.286 20 0 IGADHN Cc1nc(-c2ccncc2)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1C ZINC001164975047 722149062 /nfs/dbraw/zinc/14/90/62/722149062.db2.gz DTSWLCUBFNIKTM-GOTSBHOMSA-N 0 3 430.556 3.278 20 0 IGADHN Cc1nc(C)c(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)s1 ZINC001164979727 722150825 /nfs/dbraw/zinc/15/08/25/722150825.db2.gz LVBNLTFZMDWOTH-TZIWHRDSSA-N 0 3 436.585 3.339 20 0 IGADHN CCOC(=O)c1ccc(C(F)(F)n2nc(CN(C)C(C)C)c3c2CNCC3)c(Cl)n1 ZINC001164679561 719636385 /nfs/dbraw/zinc/63/63/85/719636385.db2.gz GTYLCTPHOLNHNZ-UHFFFAOYSA-N 0 3 441.910 3.192 20 0 IGADHN CNC(=O)CN1CCCC12CCN(c1cnc(Cl)nc1Oc1ccc(F)cc1)CC2 ZINC001164689896 719741641 /nfs/dbraw/zinc/74/16/41/719741641.db2.gz NZHVEQSFUDRKFQ-UHFFFAOYSA-N 0 3 433.915 3.242 20 0 IGADHN COCc1nn(-c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)c2c1CNC2 ZINC001164714956 720079652 /nfs/dbraw/zinc/07/96/52/720079652.db2.gz XQQAFPZRJFUPOE-UHFFFAOYSA-N 0 3 438.601 3.491 20 0 IGADHN c1cncc(CN2CC[C@H]3[C@H]2CCN3c2nccc(-c3cnc(N4CCCCC4)nc3)n2)c1 ZINC001164725956 720401629 /nfs/dbraw/zinc/40/16/29/720401629.db2.gz OGZAAJYXDOZUOK-PKTZIBPZSA-N 0 3 442.571 3.172 20 0 IGADHN c1cncc(CN2CC[C@H]3[C@@H]2CCN3c2nccc(-c3cnc(N4CCCCC4)nc3)n2)c1 ZINC001164725952 720402108 /nfs/dbraw/zinc/40/21/08/720402108.db2.gz OGZAAJYXDOZUOK-GOTSBHOMSA-N 0 3 442.571 3.172 20 0 IGADHN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164838622 720737857 /nfs/dbraw/zinc/73/78/57/720737857.db2.gz TXFUHRYVRSKDOR-UHFFFAOYSA-N 0 3 439.894 3.315 20 0 IGADHN c1cc(-c2nc3ccccc3c(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cs1 ZINC001164745385 720767097 /nfs/dbraw/zinc/76/70/97/720767097.db2.gz VNUDMFMOJPSLMW-QZTJIDSGSA-N 0 3 430.537 3.490 20 0 IGADHN CC(C)(c1ccnc(Cl)c1)N1CC[C@@H]2OCC[C@@H](C(=O)NCc3ccccn3)[C@@H]2C1 ZINC001164760079 721023464 /nfs/dbraw/zinc/02/34/64/721023464.db2.gz NUGJHBREKKCZRS-AABGKKOBSA-N 0 3 428.964 3.409 20 0 IGADHN COc1cccc2nc(Cl)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c21 ZINC001164866190 721097729 /nfs/dbraw/zinc/09/77/29/721097729.db2.gz RUEYRKTWXARRMP-DLBZAZTESA-N 0 3 425.920 3.167 20 0 IGADHN Clc1ccc(CN2CCCC2)c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164864582 721101330 /nfs/dbraw/zinc/10/13/30/721101330.db2.gz GMYPNAKCMGYSFW-SFTDATJTSA-N 0 3 427.980 3.206 20 0 IGADHN CCOC(=O)c1cc2ccccc2nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864395 721111757 /nfs/dbraw/zinc/11/17/57/721111757.db2.gz FSXRFSCVOKHTKO-RTWAWAEBSA-N 0 3 432.524 3.286 20 0 IGADHN Cn1cc(CN2CC[C@H]3CN(c4cc(Cl)ncc4C(=O)OC(C)(C)C)C[C@@H]3C2)cn1 ZINC001164768345 721155422 /nfs/dbraw/zinc/15/54/22/721155422.db2.gz OHUVAKNEAJHPHV-IRXDYDNUSA-N 0 3 431.968 3.382 20 0 IGADHN COc1ccc(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)c(OC)c1 ZINC001164879112 721163656 /nfs/dbraw/zinc/16/36/56/721163656.db2.gz RTSRKVBWWNGCIH-TZIWHRDSSA-N 0 3 447.539 3.036 20 0 IGADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5ccccn5)nc5ccccc54)C[C@H]3C2)cn1 ZINC001164771848 721197567 /nfs/dbraw/zinc/19/75/67/721197567.db2.gz RGZRSQIOSGVLDC-VQTJNVASSA-N 0 3 425.540 3.384 20 0 IGADHN CN(Cc1ccc(N2CC[C@@H]3CN(C(=O)c4ccsc4)CCO[C@@H]3C2)nc1)C1CC1 ZINC001164876606 721299316 /nfs/dbraw/zinc/29/93/16/721299316.db2.gz JJAWOZJPZWEULU-WIYYLYMNSA-N 0 3 426.586 3.105 20 0 IGADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5[nH]c6cc(F)ccc6c54)C3)O2)CC1 ZINC001164887128 721452793 /nfs/dbraw/zinc/45/27/93/721452793.db2.gz IVOFKRXSAXCCJV-KOSHJBKYSA-N 0 3 438.551 3.016 20 0 IGADHN COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3[n-]c(C)nc31)CC2 ZINC001164788709 721455638 /nfs/dbraw/zinc/45/56/38/721455638.db2.gz SVFPJUZPHDBXGD-KRWDZBQOSA-N 0 3 448.999 3.049 20 0 IGADHN COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3[n-]c(C)nc31)CC2 ZINC001164788709 721455639 /nfs/dbraw/zinc/45/56/39/721455639.db2.gz SVFPJUZPHDBXGD-KRWDZBQOSA-N 0 3 448.999 3.049 20 0 IGADHN CCOC(=O)c1cnc(C2CC2)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908271 721533799 /nfs/dbraw/zinc/53/37/99/721533799.db2.gz PPABFFFXUPWEFZ-PKOBYXMFSA-N 0 3 426.492 3.012 20 0 IGADHN COC(=O)c1c(Cl)cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1OC ZINC001164909353 721549149 /nfs/dbraw/zinc/54/91/49/721549149.db2.gz RQWZRFPKQKMYAX-GDBMZVCRSA-N 0 3 435.883 3.011 20 0 IGADHN Cc1cc(NC(=O)c2cccnc2N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)no1 ZINC001164903539 721551923 /nfs/dbraw/zinc/55/19/23/721551923.db2.gz CCMCEVFYFKYXPB-PKOBYXMFSA-N 0 3 437.475 3.111 20 0 IGADHN CC1CCN(C(=O)c2cccnc2N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1 ZINC001164907251 721553748 /nfs/dbraw/zinc/55/37/48/721553748.db2.gz NLFZXEDTHDBYEZ-IFMALSPDSA-N 0 3 438.547 3.435 20 0 IGADHN CCOC(=O)Cc1ccnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164909105 721736777 /nfs/dbraw/zinc/73/67/77/721736777.db2.gz BICGYBMEUXYNKF-QFIPXVFZSA-N 0 3 430.499 3.320 20 0 IGADHN CC(C)(c1ccnc(Cl)c1)N1CC[C@@H]2OCC[C@@H](C(=O)NCCc3ccncc3)[C@@H]2C1 ZINC001165012580 721754157 /nfs/dbraw/zinc/75/41/57/721754157.db2.gz FDORHSNZGJZMCD-HKBOAZHASA-N 0 3 442.991 3.451 20 0 IGADHN CC(C)(c1ccnc(Cl)c1)N1CC[C@@H]2OCC[C@H](C(=O)NCCc3ccncc3)[C@H]2C1 ZINC001165012578 721754566 /nfs/dbraw/zinc/75/45/66/721754566.db2.gz FDORHSNZGJZMCD-HBMCJLEFSA-N 0 3 442.991 3.451 20 0 IGADHN CN(Cc1ccco1)Cc1cncc2c1CCN(c1cccc(N3CCN(C)CC3)n1)C2 ZINC001164910778 721757596 /nfs/dbraw/zinc/75/75/96/721757596.db2.gz RNVWMJGRIUZEFD-UHFFFAOYSA-N 0 3 432.572 3.016 20 0 IGADHN CC[C@H]1C(=O)N(C)c2cnc(N3CCN(C4CCCC4)CC3)nc2N1[C@H]1CCC(F)(F)C1 ZINC001165032012 721858528 /nfs/dbraw/zinc/85/85/28/721858528.db2.gz IXAKHSGGUDZNHE-ROUUACIJSA-N 0 3 448.562 3.290 20 0 IGADHN Cn1ccc(CN2CCOCC23CCN(c2nc(N4CCCC4)cc4ccccc42)CC3)n1 ZINC001164935668 721908311 /nfs/dbraw/zinc/90/83/11/721908311.db2.gz MUMFSIONAPUVTG-UHFFFAOYSA-N 0 3 446.599 3.440 20 0 IGADHN Cc1nc(Cl)cc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164958052 722054192 /nfs/dbraw/zinc/05/41/92/722054192.db2.gz BDIMTZZZKRYMBY-UHFFFAOYSA-N 0 3 437.922 3.497 20 0 IGADHN CCOC(=O)c1cc2ccnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c2[nH]1 ZINC001164963183 722054873 /nfs/dbraw/zinc/05/48/73/722054873.db2.gz HZBWMSYMDASUPG-UHFFFAOYSA-N 0 3 449.555 3.254 20 0 IGADHN Clc1c[nH]c2nc(Cl)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164986298 722100183 /nfs/dbraw/zinc/10/01/83/722100183.db2.gz YQBHIBLIDZPMEH-HOCLYGCPSA-N 0 3 433.343 3.387 20 0 IGADHN COc1cccc2nc(Cl)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164972441 722123886 /nfs/dbraw/zinc/12/38/86/722123886.db2.gz FJQPCRMFCWBHHD-XLIONFOSSA-N 0 3 439.947 3.414 20 0 IGADHN Clc1ccc(CN2CCCC2)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983729 722125298 /nfs/dbraw/zinc/12/52/98/722125298.db2.gz ZIJYEQICOVAYQT-RBBKRZOGSA-N 0 3 442.007 3.453 20 0 IGADHN CCc1cc2c(nc(Cl)nc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)[nH]1 ZINC001164979648 722136475 /nfs/dbraw/zinc/13/64/75/722136475.db2.gz LQDMBZWZIOPKIR-QFBILLFUSA-N 0 3 426.952 3.296 20 0 IGADHN COC(=O)c1ccc2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ncc2c1 ZINC001164984602 722137150 /nfs/dbraw/zinc/13/71/50/722137150.db2.gz XNLBGVYARAMAHL-JTHBVZDNSA-N 0 3 432.524 3.144 20 0 IGADHN c1ccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c(N3CCCC3)nc2c1 ZINC001164980880 722138281 /nfs/dbraw/zinc/13/82/81/722138281.db2.gz NHJLCAGAAIOKED-URXFXBBRSA-N 0 3 444.583 3.352 20 0 IGADHN Cc1nc(C)c(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)s1 ZINC001164979721 722151211 /nfs/dbraw/zinc/15/12/11/722151211.db2.gz LVBNLTFZMDWOTH-PZJWPPBQSA-N 0 3 436.585 3.339 20 0 IGADHN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(Cl)nc5c4CCNC5)CC[C@@H]32)cs1 ZINC001164990825 722184681 /nfs/dbraw/zinc/18/46/81/722184681.db2.gz RZXWWUGXVYIJSU-AZUAARDMSA-N 0 3 434.009 3.015 20 0 IGADHN Cc1nc(CN2CCO[C@H]3CCN(c4ncccc4CN4CCCC4)CC[C@H]32)cs1 ZINC001164990909 722186498 /nfs/dbraw/zinc/18/64/98/722186498.db2.gz SIBCNIBHPPQXMF-YADHBBJMSA-N 0 3 427.618 3.312 20 0 IGADHN C(c1nc2sc3c(c2c(N2CC[C@@H]4NCCO[C@@H]4C2)n1)CCCC3)N1CCCCC1 ZINC001164391752 718824508 /nfs/dbraw/zinc/82/45/08/718824508.db2.gz WXAZVKZFJQANEM-ZWKOTPCHSA-N 0 3 427.618 3.123 20 0 IGADHN CCS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3NCc4ccccc4[C@@H]3C2)cnc1Cl ZINC001164430783 718948325 /nfs/dbraw/zinc/94/83/25/718948325.db2.gz YILKKNOMONAURO-HOTGVXAUSA-N 0 3 427.904 3.149 20 0 IGADHN Cc1cc2nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nc(N3CCOCC3)c2s1 ZINC001164731004 720404334 /nfs/dbraw/zinc/40/43/34/720404334.db2.gz XWNIZTIDFGFTLJ-UXHICEINSA-N 0 3 436.585 3.085 20 0 IGADHN CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164730936 720414788 /nfs/dbraw/zinc/41/47/88/720414788.db2.gz JWFICHANGJYQHD-GOTSBHOMSA-N 0 3 430.556 3.264 20 0 IGADHN COc1ccc(-c2ccc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nn2)c(OC)c1OC ZINC001164728898 720466312 /nfs/dbraw/zinc/46/63/12/720466312.db2.gz PKDWRFZMYCYYMD-LEWJYISDSA-N 0 3 447.539 3.418 20 0 IGADHN CC(C)(c1ccnc(Cl)c1)N1CC[C@@H]2OCC[C@H](C(=O)NCc3ccccn3)[C@@H]2C1 ZINC001164760082 721023759 /nfs/dbraw/zinc/02/37/59/721023759.db2.gz NUGJHBREKKCZRS-UFYCRDLUSA-N 0 3 428.964 3.409 20 0 IGADHN c1[nH]c2ccccc2c1-c1ccnc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866916 721084817 /nfs/dbraw/zinc/08/48/17/721084817.db2.gz UZZDQJOTUCTPKS-VQTJNVASSA-N 0 3 426.524 3.500 20 0 IGADHN Cn1cc(CN2CC[C@H]3CN(c4cc(C(=O)N5CCCCC5)cc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164774182 721092496 /nfs/dbraw/zinc/09/24/96/721092496.db2.gz YZHZJOSSHHHONI-ICSRJNTNSA-N 0 3 442.995 3.053 20 0 IGADHN Clc1ccc(CN2CCCC2)c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164864580 721100260 /nfs/dbraw/zinc/10/02/60/721100260.db2.gz GMYPNAKCMGYSFW-RTWAWAEBSA-N 0 3 427.980 3.206 20 0 IGADHN c1ccc2nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c(N3CCCC3)nc2c1 ZINC001164878335 721136995 /nfs/dbraw/zinc/13/69/95/721136995.db2.gz PXKQGPQQSFBERQ-LEWJYISDSA-N 0 3 430.556 3.105 20 0 IGADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5c4ccn5Cc4ccccc4)C[C@H]3C2)cn1 ZINC001164764994 721145714 /nfs/dbraw/zinc/14/57/14/721145714.db2.gz IRDOFSJKPGTMOC-FGZHOGPDSA-N 0 3 427.556 3.171 20 0 IGADHN COc1ccc(Oc2cc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nc(C)n2)cc1 ZINC001164873574 721176405 /nfs/dbraw/zinc/17/64/05/721176405.db2.gz IQXCCFYJYOWXGA-NZQKXSOJSA-N 0 3 447.539 3.461 20 0 IGADHN O=C(c1ccsc1)N1CCO[C@@H]2CN(c3ccc(CN4CCCC4)cn3)CC[C@H]2C1 ZINC001164876610 721298659 /nfs/dbraw/zinc/29/86/59/721298659.db2.gz JPDDPNHJVYNQSQ-PZJWPPBQSA-N 0 3 426.586 3.106 20 0 IGADHN COc1cc2ccnc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c2cc1F ZINC001164886065 721448462 /nfs/dbraw/zinc/44/84/62/721448462.db2.gz GIYUOLGBMJSMLV-DVECYGJZSA-N 0 3 428.552 3.148 20 0 IGADHN C[C@@H]1CCCN(C(=O)c2ccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2)C1 ZINC001164910300 721552444 /nfs/dbraw/zinc/55/24/44/721552444.db2.gz WGAUQBGVDGXOCR-AAIMPIBUSA-N 0 3 438.547 3.435 20 0 IGADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CCN3C2)c1 ZINC001164910895 721554084 /nfs/dbraw/zinc/55/40/84/721554084.db2.gz XNFHWVRXTPIAKM-FPOVZHCZSA-N 0 3 448.498 3.396 20 0 IGADHN COC(=O)c1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1OC ZINC001164904955 721586995 /nfs/dbraw/zinc/58/69/95/721586995.db2.gz IJOFATFWIMZZHU-NRFANRHFSA-N 0 3 432.471 3.010 20 0 IGADHN C[C@@H]1CN(c2ccc(CN(C)C3CC3)cn2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165010742 721691615 /nfs/dbraw/zinc/69/16/15/721691615.db2.gz WUMZIWRITIXZCK-WSUBETFTSA-N 0 3 435.572 3.474 20 0 IGADHN COC(=O)CSc1cccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164905614 721719108 /nfs/dbraw/zinc/71/91/08/721719108.db2.gz IBOJYQWTCBNTIS-NRFANRHFSA-N 0 3 448.539 3.479 20 0 IGADHN CCOC(=O)c1c[nH]c2ncnc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)c12 ZINC001164907929 721748039 /nfs/dbraw/zinc/74/80/39/721748039.db2.gz DLGLVBAILPNKNC-UHFFFAOYSA-N 0 3 446.511 3.317 20 0 IGADHN COC(=O)/C=C\c1cc(C)cnc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963304 722058180 /nfs/dbraw/zinc/05/81/80/722058180.db2.gz WGHOUHYLOGZEIJ-ARJAWSKDSA-N 0 3 436.556 3.090 20 0 IGADHN O=C1[C@H]2CCN(c3ccc(CN4CCCC4)cn3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001164968823 722082262 /nfs/dbraw/zinc/08/22/62/722082262.db2.gz HSUHVARNRVCEGW-GOTSBHOMSA-N 0 3 438.547 3.070 20 0 IGADHN CCOC(=O)c1cnc(Cl)cc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974649 722099924 /nfs/dbraw/zinc/09/99/24/722099924.db2.gz BFJGDAKKSSMEGS-FXAWDEMLSA-N 0 3 430.936 3.034 20 0 IGADHN COc1cc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cc(Cl)n1 ZINC001164984682 722103343 /nfs/dbraw/zinc/10/33/43/722103343.db2.gz TYWSDEIRVPTOJG-AEFFLSMTSA-N 0 3 438.906 3.411 20 0 IGADHN Clc1nc2c(c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n1)CSCC2 ZINC001164979992 722104167 /nfs/dbraw/zinc/10/41/67/722104167.db2.gz IQNNPOPKMBPNFO-LPHOPBHVSA-N 0 3 431.993 3.042 20 0 IGADHN COc1ccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c(Cl)nc2c1 ZINC001164975702 722110997 /nfs/dbraw/zinc/11/09/97/722110997.db2.gz KKJBLZMXLCKAOP-LAUBAEHRSA-N 0 3 439.947 3.414 20 0 IGADHN CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1C ZINC001164971885 722116869 /nfs/dbraw/zinc/11/68/69/722116869.db2.gz CZGPKQCMLJTERK-UYAOXDASSA-N 0 3 444.963 3.342 20 0 IGADHN CCOC(=O)c1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ccc1Cl ZINC001164974179 722134822 /nfs/dbraw/zinc/13/48/22/722134822.db2.gz CLLAGKREDGPCNQ-MJGOQNOKSA-N 0 3 430.936 3.034 20 0 IGADHN COC(=O)c1ccc2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ncc2c1 ZINC001164984599 722137268 /nfs/dbraw/zinc/13/72/68/722137268.db2.gz XNLBGVYARAMAHL-FYYLOGMGSA-N 0 3 432.524 3.144 20 0 IGADHN C[C@@H]1CCCN(C(=O)c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2)C1 ZINC001164972725 722139946 /nfs/dbraw/zinc/13/99/46/722139946.db2.gz AKTAITRQUUCABO-FGCOXFRFSA-N 0 3 449.599 3.076 20 0 IGADHN CC1CCN(C(=O)c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2)CC1 ZINC001164972630 722140557 /nfs/dbraw/zinc/14/05/57/722140557.db2.gz AFUJHLQGHDJWOY-BJKOFHAPSA-N 0 3 449.599 3.076 20 0 IGADHN CC1CCN(C(=O)c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2)CC1 ZINC001164972638 722140904 /nfs/dbraw/zinc/14/09/04/722140904.db2.gz AFUJHLQGHDJWOY-ZEQRLZLVSA-N 0 3 449.599 3.076 20 0 IGADHN c1cncc(CN2CCO[C@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CC[C@H]3C2)c1 ZINC001164984576 722149742 /nfs/dbraw/zinc/14/97/42/722149742.db2.gz XEFNXLPIMXQQDI-URXFXBBRSA-N 0 3 442.567 3.150 20 0 IGADHN c1cncc(CN2CCO[C@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CC[C@@H]3C2)c1 ZINC001164984575 722149833 /nfs/dbraw/zinc/14/98/33/722149833.db2.gz XEFNXLPIMXQQDI-QPPBQGQZSA-N 0 3 442.567 3.150 20 0 IGADHN O=C1NCCN(C(F)(F)c2cnc(Cl)c(-c3ccccc3C(F)(F)F)c2)C12CNC2 ZINC001164414336 718879332 /nfs/dbraw/zinc/87/93/32/718879332.db2.gz RQEWVXYBMPYWMI-UHFFFAOYSA-N 0 3 446.807 3.244 20 0 IGADHN CNC(=O)CN1CCCC12CCN(c1cc(-c3nc(-c4cccs4)no3)ccn1)CC2 ZINC001164690311 719747121 /nfs/dbraw/zinc/74/71/21/719747121.db2.gz ZISAHAUFWDGAFA-UHFFFAOYSA-N 0 3 438.557 3.041 20 0 IGADHN c1cncc(CN2CC[C@@H]3[C@H]2CCN3c2nccc(-c3cnc(N4CCCCC4)nc3)n2)c1 ZINC001164725947 720401300 /nfs/dbraw/zinc/40/13/00/720401300.db2.gz OGZAAJYXDOZUOK-DHIUTWEWSA-N 0 3 442.571 3.172 20 0 IGADHN c1cncc(CN2CC[C@@H]3[C@@H]2CCN3c2nccc(-c3cnc(N4CCCCC4)nc3)n2)c1 ZINC001164725960 720402218 /nfs/dbraw/zinc/40/22/18/720402218.db2.gz OGZAAJYXDOZUOK-XZOQPEGZSA-N 0 3 442.571 3.172 20 0 IGADHN CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164730937 720414210 /nfs/dbraw/zinc/41/42/10/720414210.db2.gz JWFICHANGJYQHD-PKTZIBPZSA-N 0 3 430.556 3.264 20 0 IGADHN c1ccc(N2CCN(c3ccc(N4CC[C@H]5[C@H]4CCN5Cc4cccnc4)nn3)CC2)cc1 ZINC001164729300 720442796 /nfs/dbraw/zinc/44/27/96/720442796.db2.gz GVDHVYHXWRZGIG-BJKOFHAPSA-N 0 3 441.583 3.051 20 0 IGADHN Fc1cccc(Cn2ccc3c2ncnc3N2CCc3ncc(CN4CCCC4)n3CC2)c1 ZINC001164727055 720568588 /nfs/dbraw/zinc/56/85/88/720568588.db2.gz ARURSUZENIOFLC-UHFFFAOYSA-N 0 3 445.546 3.474 20 0 IGADHN COC(=O)c1cnc(Cl)c(C(F)(F)N2CCCn3cnc(CNC4CCC4)c3C2)c1 ZINC001164838584 720738456 /nfs/dbraw/zinc/73/84/56/720738456.db2.gz SOFIQJUGKKYAAI-UHFFFAOYSA-N 0 3 439.894 3.315 20 0 IGADHN Fc1ccc(-c2ccc(Cl)nn2)cc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737525 720779691 /nfs/dbraw/zinc/77/96/91/720779691.db2.gz CDLADTVAJNBBFO-JKSUJKDBSA-N 0 3 426.883 3.068 20 0 IGADHN FC(F)c1nc2ccc(Cl)cc2c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164747686 720800089 /nfs/dbraw/zinc/80/00/89/720800089.db2.gz PAXMLSNWABZTBJ-ZIAGYGMSSA-N 0 3 432.862 3.353 20 0 IGADHN CCOC(=O)c1c(Cl)cc(C)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869568 721050520 /nfs/dbraw/zinc/05/05/20/721050520.db2.gz UICNZFCOLOSGFS-QZTJIDSGSA-N 0 3 430.936 3.095 20 0 IGADHN COc1cc2c(cc1Cl)ncnc2N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865916 721091662 /nfs/dbraw/zinc/09/16/62/721091662.db2.gz PRSZMDVZSPOPSN-IRXDYDNUSA-N 0 3 425.920 3.167 20 0 IGADHN CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865210 721101098 /nfs/dbraw/zinc/10/10/98/721101098.db2.gz JMUAJKDVTSKVLA-ROUUACIJSA-N 0 3 443.979 3.138 20 0 IGADHN c1ccc2nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c(N3CCCCC3)nc2c1 ZINC001164874432 721136923 /nfs/dbraw/zinc/13/69/23/721136923.db2.gz JXOOMVYDEKKPLS-YADHBBJMSA-N 0 3 444.583 3.495 20 0 IGADHN O=C(OCc1ccccc1)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164871102 721156672 /nfs/dbraw/zinc/15/66/72/721156672.db2.gz DRFMRZANGYRYOT-DNQXCXABSA-N 0 3 444.535 3.313 20 0 IGADHN CCOc1ccc(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1 ZINC001164872795 721162966 /nfs/dbraw/zinc/16/29/66/721162966.db2.gz IJXLSFKCRPTUHK-GGAORHGYSA-N 0 3 431.540 3.417 20 0 IGADHN Cc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164877047 721176510 /nfs/dbraw/zinc/17/65/10/721176510.db2.gz OFWUGEKPKRWVMH-VQTJNVASSA-N 0 3 436.947 3.375 20 0 IGADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5c(-c6ccccc6)nsc54)C[C@@H]3C2)cn1 ZINC001164772382 721202951 /nfs/dbraw/zinc/20/29/51/721202951.db2.gz UKDSCWVFVFXUQR-MOPGFXCFSA-N 0 3 431.569 3.445 20 0 IGADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5c(-c6ccccc6)nsc54)C[C@H]3C2)cn1 ZINC001164772384 721203694 /nfs/dbraw/zinc/20/36/94/721203694.db2.gz UKDSCWVFVFXUQR-RBUKOAKNSA-N 0 3 431.569 3.445 20 0 IGADHN CN(Cc1ccc(N2CC[C@H]3CN(C(=O)c4ccsc4)CCO[C@@H]3C2)nc1)C1CC1 ZINC001164876603 721299443 /nfs/dbraw/zinc/29/94/43/721299443.db2.gz JJAWOZJPZWEULU-GHTZIAJQSA-N 0 3 426.586 3.105 20 0 IGADHN Cc1cc(NC(=O)c2cccnc2N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)no1 ZINC001164903536 721551695 /nfs/dbraw/zinc/55/16/95/721551695.db2.gz CCMCEVFYFKYXPB-HKUYNNGSSA-N 0 3 437.475 3.111 20 0 IGADHN CCOC(=O)c1cc2ccc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)[nH]c-2n1 ZINC001164962188 722058444 /nfs/dbraw/zinc/05/84/44/722058444.db2.gz PLIHGZAUGFOMJV-UHFFFAOYSA-N 0 3 449.555 3.254 20 0 IGADHN CCOC(=O)c1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncc1Cl ZINC001164980812 722103037 /nfs/dbraw/zinc/10/30/37/722103037.db2.gz KLDPAGDFZYIKGF-XLIONFOSSA-N 0 3 430.936 3.034 20 0 IGADHN FC(F)(c1nc(Cl)ncc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983881 722107213 /nfs/dbraw/zinc/10/72/13/722107213.db2.gz QVPICWBEIXZBQV-GOEBONIOSA-N 0 3 444.313 3.451 20 0 IGADHN c1ccc(COc2cnnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2)cc1 ZINC001164982670 722125802 /nfs/dbraw/zinc/12/58/02/722125802.db2.gz XREBYSKMEQQDAP-LADGPHEKSA-N 0 3 431.540 3.178 20 0 IGADHN Cc1nc(-c2ccccn2)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1C ZINC001164978050 722148416 /nfs/dbraw/zinc/14/84/16/722148416.db2.gz JKDPXASXFDJEQS-GMAHTHKFSA-N 0 3 430.556 3.278 20 0 IGADHN c1cncc(CN2CCO[C@@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CC[C@@H]3C2)c1 ZINC001164984578 722149776 /nfs/dbraw/zinc/14/97/76/722149776.db2.gz XEFNXLPIMXQQDI-ZJSXRUAMSA-N 0 3 442.567 3.150 20 0 IGADHN c1cncc(CN2CCO[C@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CC[C@H]3C2)c1 ZINC001164973932 722151866 /nfs/dbraw/zinc/15/18/66/722151866.db2.gz NNMXDPSPYZTHAQ-SFTDATJTSA-N 0 3 432.528 3.131 20 0 IGADHN NC(=S)c1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c2sccc21 ZINC001164972233 722158242 /nfs/dbraw/zinc/15/82/42/722158242.db2.gz HLJREFZNFKBFIU-APWZRJJASA-N 0 3 439.610 3.053 20 0 IGADHN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCCC5)nc(C)n4)CC[C@@H]32)cs1 ZINC001164987086 722176008 /nfs/dbraw/zinc/17/60/08/722176008.db2.gz MJJNLRKOLJBHOS-VQTJNVASSA-N 0 3 428.606 3.020 20 0 IGADHN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(Cl)nc5c4CCNC5)CC[C@H]32)cs1 ZINC001164990833 722184703 /nfs/dbraw/zinc/18/47/03/722184703.db2.gz RZXWWUGXVYIJSU-UYAOXDASSA-N 0 3 434.009 3.015 20 0 IGADHN Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CC[C@@H]3NCCO[C@@H]3C2)c2ccccc21 ZINC001164390770 718823488 /nfs/dbraw/zinc/82/34/88/718823488.db2.gz QQPRLVKRPVZMDL-FUHWJXTLSA-N 0 3 433.890 3.401 20 0 IGADHN CCS(=O)(=O)c1cc(C(F)(F)N2C[C@H]3c4ccccc4CN[C@@H]3C2)cnc1Cl ZINC001164430785 718948583 /nfs/dbraw/zinc/94/85/83/718948583.db2.gz YILKKNOMONAURO-JKSUJKDBSA-N 0 3 427.904 3.149 20 0 IGADHN Cc1ccc(S(=O)(=O)n2ccc3c2nc(Cl)nc3N2C[C@H](C)N(C)C[C@@H]2C)cc1 ZINC001164632946 719171438 /nfs/dbraw/zinc/17/14/38/719171438.db2.gz GAIBVQVZWCFKFB-GJZGRUSLSA-N 0 3 433.965 3.159 20 0 IGADHN CC(C)N(C)Cc1nn(C(F)(F)Cc2nc3c(ncnc3Cl)s2)c2c1CCNC2 ZINC001164681887 719654598 /nfs/dbraw/zinc/65/45/98/719654598.db2.gz RWPMAWCEBGVSLK-UHFFFAOYSA-N 0 3 441.939 3.214 20 0 IGADHN COCc1nn(-c2nc(CN3CCCC3)nc3sc4c(c32)CC[C@H](C)C4)c2c1CNC2 ZINC001164713809 720079717 /nfs/dbraw/zinc/07/97/17/720079717.db2.gz UPGINHJTBMEJLF-AWEZNQCLSA-N 0 3 438.601 3.347 20 0 IGADHN COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc[n-]c3nc(=S)sc1-3)CC2 ZINC001164712233 720137617 /nfs/dbraw/zinc/13/76/17/720137617.db2.gz LJZVWYFVEIDESN-MRXNPFEDSA-N 0 3 442.614 3.278 20 0 IGADHN COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc[n-]c3nc(=S)sc1-3)CC2 ZINC001164712233 720137624 /nfs/dbraw/zinc/13/76/24/720137624.db2.gz LJZVWYFVEIDESN-MRXNPFEDSA-N 0 3 442.614 3.278 20 0 IGADHN CN(Cc1ccc(N2CC[C@H]3C(=O)N(C)C[C@H](COCC4CC4)[C@H]3CC2)nc1)C1CC1 ZINC001164860346 721029309 /nfs/dbraw/zinc/02/93/09/721029309.db2.gz LKZSCWVRRMZCFR-YMPZKCBVSA-N 0 3 426.605 3.023 20 0 IGADHN CCOC(=O)c1cnc(Cl)c(C)c1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164862858 721098953 /nfs/dbraw/zinc/09/89/53/721098953.db2.gz BGLUOQUMWXBJKJ-ZWKOTPCHSA-N 0 3 430.936 3.095 20 0 IGADHN COc1cccc(Oc2cncc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164865441 721116117 /nfs/dbraw/zinc/11/61/17/721116117.db2.gz LIVCORMLIBVJBK-UGKGYDQZSA-N 0 3 433.512 3.152 20 0 IGADHN COC(=O)C[C@H](c1ccnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1)C1CC1 ZINC001164881015 721135372 /nfs/dbraw/zinc/13/53/72/721135372.db2.gz YVIMDUHZMUBJRW-VABKMULXSA-N 0 3 436.556 3.013 20 0 IGADHN Clc1nc2c(Cl)nccc2c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164871034 721137020 /nfs/dbraw/zinc/13/70/20/721137020.db2.gz DARPSMGLARGFJO-GJZGRUSLSA-N 0 3 431.327 3.206 20 0 IGADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5ccccn5)nc5ccccc54)C[C@@H]3C2)cn1 ZINC001164771847 721196981 /nfs/dbraw/zinc/19/69/81/721196981.db2.gz RGZRSQIOSGVLDC-UXHICEINSA-N 0 3 425.540 3.384 20 0 IGADHN COc1cc2ccnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c2cc1F ZINC001164886068 721448557 /nfs/dbraw/zinc/44/85/57/721448557.db2.gz GIYUOLGBMJSMLV-YADARESESA-N 0 3 428.552 3.148 20 0 IGADHN Cc1nc(CN2CC[C@]3(CCCN(c4ccc(CN(C)C5CC5)cn4)C3)C2=O)cs1 ZINC001164891315 721461873 /nfs/dbraw/zinc/46/18/73/721461873.db2.gz UHSJYJVHJJDQPI-QHCPKHFHSA-N 0 3 425.602 3.460 20 0 IGADHN CC1CCN(C(=O)c2ccc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc2)CC1 ZINC001164908580 721553709 /nfs/dbraw/zinc/55/37/09/721553709.db2.gz QMOUICJBLRZCLN-JTHBVZDNSA-N 0 3 438.547 3.435 20 0 IGADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncnc5c4ncn5-c4ccccc4)CCN3C2)c1 ZINC001164905893 721562990 /nfs/dbraw/zinc/56/29/90/721562990.db2.gz HUGQULFEPAYMFU-TZIWHRDSSA-N 0 3 430.487 3.297 20 0 IGADHN CCOC(=O)c1cc2ccc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc2[nH]1 ZINC001164798132 721567148 /nfs/dbraw/zinc/56/71/48/721567148.db2.gz AIMXKWAUHHFEFM-URVUXULASA-N 0 3 435.528 3.003 20 0 IGADHN Cn1cnc2c1nc(Cl)nc2N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164905972 721698579 /nfs/dbraw/zinc/69/85/79/721698579.db2.gz KLTNWXYSCZJQCG-IBGZPJMESA-N 0 3 433.894 3.149 20 0 IGADHN O=C1[C@H]2CCN(c3ncccc3CN3CCCC3)C[C@H]2OCCN1Cc1cccc(F)c1 ZINC001164969997 722082609 /nfs/dbraw/zinc/08/26/09/722082609.db2.gz STEWAUXLUJKJBS-XZOQPEGZSA-N 0 3 438.547 3.070 20 0 IGADHN CCOC(=O)c1cnc(Cl)cc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974659 722099900 /nfs/dbraw/zinc/09/99/00/722099900.db2.gz BFJGDAKKSSMEGS-YLJYHZDGSA-N 0 3 430.936 3.034 20 0 IGADHN CCOC(=O)c1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncc1Cl ZINC001164980814 722102833 /nfs/dbraw/zinc/10/28/33/722102833.db2.gz KLDPAGDFZYIKGF-YLJYHZDGSA-N 0 3 430.936 3.034 20 0 IGADHN O=C(NC1CCCCC1)c1cccnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986103 722102997 /nfs/dbraw/zinc/10/29/97/722102997.db2.gz YANBDNBJAFLNGK-XUZZJYLKSA-N 0 3 449.599 3.266 20 0 IGADHN c1ccc(COc2cncc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164983921 722105933 /nfs/dbraw/zinc/10/59/33/722105933.db2.gz RCFRUVJMDXURQO-GOTSBHOMSA-N 0 3 431.540 3.178 20 0 IGADHN COc1ccc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164973892 722115143 /nfs/dbraw/zinc/11/51/43/722115143.db2.gz HVEKDBQXWGFKSO-WMZOPIPTSA-N 0 3 438.906 3.411 20 0 IGADHN COc1cc2c(cc1Cl)ncnc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982001 722119888 /nfs/dbraw/zinc/11/98/88/722119888.db2.gz VPYILDWYERGWRF-VGSWGCGISA-N 0 3 439.947 3.414 20 0 IGADHN CCc1cc2c(nc(Cl)nc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)[nH]1 ZINC001164979646 722136227 /nfs/dbraw/zinc/13/62/27/722136227.db2.gz LQDMBZWZIOPKIR-LPHOPBHVSA-N 0 3 426.952 3.296 20 0 IGADHN Clc1nc2c(Cl)nccc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979680 722137790 /nfs/dbraw/zinc/13/77/90/722137790.db2.gz LSYCPITZRFFEAF-DOTOQJQBSA-N 0 3 445.354 3.454 20 0 IGADHN FC(F)(c1c2c(nnc1Cl)CCC2)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982708 722143247 /nfs/dbraw/zinc/14/32/47/722143247.db2.gz SETMZUXMSALMOM-APWZRJJASA-N 0 3 449.933 3.286 20 0 IGADHN C(c1nc2sc3c(c2c(N2CC[C@H]4NCCO[C@@H]4C2)n1)CCCC3)N1CCCCC1 ZINC001164391747 718824704 /nfs/dbraw/zinc/82/47/04/718824704.db2.gz WXAZVKZFJQANEM-QZTJIDSGSA-N 0 3 427.618 3.123 20 0 IGADHN CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164616586 719009980 /nfs/dbraw/zinc/00/99/80/719009980.db2.gz LEAXBKXHJQAMTO-KZULUSFZSA-N 0 3 446.951 3.113 20 0 IGADHN CNC(=O)CN1CCCC12CCN(c1cnc(Cl)nc1Oc1ccccc1C)CC2 ZINC001164689605 719753428 /nfs/dbraw/zinc/75/34/28/719753428.db2.gz JAHAAEFELWQTTC-UHFFFAOYSA-N 0 3 429.952 3.412 20 0 IGADHN CNC(=O)CN1CCCC12CCN(c1cnc(Cl)nc1Oc1cccc(F)c1)CC2 ZINC001164689366 719756021 /nfs/dbraw/zinc/75/60/21/719756021.db2.gz CVDNWVLZKVIPEG-UHFFFAOYSA-N 0 3 433.915 3.242 20 0 IGADHN CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164730935 720415194 /nfs/dbraw/zinc/41/51/94/720415194.db2.gz JWFICHANGJYQHD-DHIUTWEWSA-N 0 3 430.556 3.264 20 0 IGADHN Fc1ccc(-c2ccc(Cl)nn2)cc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737524 720781345 /nfs/dbraw/zinc/78/13/45/720781345.db2.gz CDLADTVAJNBBFO-HZPDHXFCSA-N 0 3 426.883 3.068 20 0 IGADHN CN(Cc1ccc(N2CC[C@@H]3[C@@H](COCC4CC4)CN(C)C(=O)[C@H]3CC2)nc1)C1CC1 ZINC001164860344 721030038 /nfs/dbraw/zinc/03/00/38/721030038.db2.gz LKZSCWVRRMZCFR-MZYLBHOOSA-N 0 3 426.605 3.023 20 0 IGADHN COc1ccc2nc(Cl)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164870646 721042539 /nfs/dbraw/zinc/04/25/39/721042539.db2.gz WNMZATPDQAMCCH-SJLPKXTDSA-N 0 3 425.920 3.167 20 0 IGADHN CCOC(=O)c1c(C)nc(Cl)cc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871543 721070871 /nfs/dbraw/zinc/07/08/71/721070871.db2.gz ZNWRAUKWXMVPPL-ROUUACIJSA-N 0 3 430.936 3.095 20 0 IGADHN CC(C)(C)c1noc(-c2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2)n1 ZINC001164872057 721127027 /nfs/dbraw/zinc/12/70/27/721127027.db2.gz GEVUNCGEFFUETA-VQTJNVASSA-N 0 3 434.544 3.304 20 0 IGADHN COC(=O)C[C@H](c1ccnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1)C1CC1 ZINC001164881016 721134944 /nfs/dbraw/zinc/13/49/44/721134944.db2.gz YVIMDUHZMUBJRW-VJBWXMMDSA-N 0 3 436.556 3.013 20 0 IGADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncccc4OCc4ccccc4)C3)O2)CC1 ZINC001164892212 721432341 /nfs/dbraw/zinc/43/23/41/721432341.db2.gz HSLJVZBZYDWPEM-OZXSUGGESA-N 0 3 436.600 3.426 20 0 IGADHN CC(C)(C)OC(=O)Nc1cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ncn1 ZINC001164902060 721520030 /nfs/dbraw/zinc/52/00/30/721520030.db2.gz YWNQXCXXDKIEMB-AEFFLSMTSA-N 0 3 429.496 3.305 20 0 IGADHN CC(C)(C)OC(=O)Nc1nccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164902093 721525136 /nfs/dbraw/zinc/52/51/36/721525136.db2.gz ZDDWXKMPKORBCQ-WMZOPIPTSA-N 0 3 429.496 3.305 20 0 IGADHN CC1CCN(C(=O)c2cccnc2N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)CC1 ZINC001164907254 721553284 /nfs/dbraw/zinc/55/32/84/721553284.db2.gz NLFZXEDTHDBYEZ-UNMCSNQZSA-N 0 3 438.547 3.435 20 0 IGADHN COC(=O)c1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1OC ZINC001164904957 721586907 /nfs/dbraw/zinc/58/69/07/721586907.db2.gz IJOFATFWIMZZHU-OAQYLSRUSA-N 0 3 432.471 3.010 20 0 IGADHN C[C@@H]1CN(c2ccc(CN3CCCC3)cn2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165007893 721691983 /nfs/dbraw/zinc/69/19/83/721691983.db2.gz GMAJSRZJQRGING-RZTXVSJASA-N 0 3 435.572 3.475 20 0 IGADHN C[C@@H]1CN(c2ncccc2CN2CCCC2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165007495 721692288 /nfs/dbraw/zinc/69/22/88/721692288.db2.gz CTFUGYOXONPIOS-QNIAMRLHSA-N 0 3 435.572 3.475 20 0 IGADHN Cc1ccc(CN2CCOC3(CCN(c4cccc(N5CCN(C)CC5)n4)CC3)C2)cc1 ZINC001164940672 721928256 /nfs/dbraw/zinc/92/82/56/721928256.db2.gz WILRQQSAHQCJFD-UHFFFAOYSA-N 0 3 435.616 3.013 20 0 IGADHN CCOC(=O)c1cc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164982845 722099355 /nfs/dbraw/zinc/09/93/55/722099355.db2.gz PJVARSORUXQIKZ-IEBWSBKVSA-N 0 3 430.936 3.034 20 0 IGADHN COc1cc2nc(C)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2cc1OC ZINC001164982478 722119368 /nfs/dbraw/zinc/11/93/68/722119368.db2.gz WQADPYMMFBUGRH-NTKDMRAZSA-N 0 3 449.555 3.078 20 0 IGADHN COc1ccc2nc(Cl)cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2n1 ZINC001164983764 722122564 /nfs/dbraw/zinc/12/25/64/722122564.db2.gz ZZGUVYIYLKXMRF-PXNSSMCTSA-N 0 3 439.947 3.414 20 0 IGADHN COc1cccc2nc(Cl)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164972440 722123186 /nfs/dbraw/zinc/12/31/86/722123186.db2.gz FJQPCRMFCWBHHD-PXNSSMCTSA-N 0 3 439.947 3.414 20 0 IGADHN CCOC(=O)c1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ccc1Cl ZINC001164974174 722134993 /nfs/dbraw/zinc/13/49/93/722134993.db2.gz CLLAGKREDGPCNQ-HKUYNNGSSA-N 0 3 430.936 3.034 20 0 IGADHN COc1ccc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164973384 722139624 /nfs/dbraw/zinc/13/96/24/722139624.db2.gz CAYTWHUUAHENNE-QPPBQGQZSA-N 0 3 431.540 3.275 20 0 IGADHN COC(=O)c1cc2ccccc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164980258 722145003 /nfs/dbraw/zinc/14/50/03/722145003.db2.gz MFZYUVPKVRFQJX-OFNKIYASSA-N 0 3 432.524 3.144 20 0 IGADHN COc1ccccc1-c1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncn1 ZINC001164980884 722145157 /nfs/dbraw/zinc/14/51/57/722145157.db2.gz NHPJZEXDYSHTPV-HYBUGGRVSA-N 0 3 431.540 3.275 20 0 IGADHN COc1ccc(-c2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ncn2)cc1 ZINC001164975235 722145234 /nfs/dbraw/zinc/14/52/34/722145234.db2.gz GDGHMLCIXPJPPQ-XUZZJYLKSA-N 0 3 431.540 3.275 20 0 IGADHN Cc1nc(CN2CCO[C@@H]3CCN(c4ncccc4CN4CCCC4)CC[C@H]32)cs1 ZINC001164990906 722186559 /nfs/dbraw/zinc/18/65/59/722186559.db2.gz SIBCNIBHPPQXMF-FGZHOGPDSA-N 0 3 427.618 3.312 20 0 IGADHN Cc1cccc(CN2C(=O)COC3(CCN(c4ncccc4CN4CCCC4)CC3)[C@@H]2C)n1 ZINC001164428252 718952094 /nfs/dbraw/zinc/95/20/94/718952094.db2.gz ILBIKGBPTRTHNV-NRFANRHFSA-N 0 3 449.599 3.167 20 0 IGADHN CNC(=O)CN1CCCC12CCN(c1cc(F)ccc1Oc1ccc(Cl)nn1)CC2 ZINC001164689544 719738694 /nfs/dbraw/zinc/73/86/94/719738694.db2.gz HFBFZVPEFIQGKJ-UHFFFAOYSA-N 0 3 433.915 3.242 20 0 IGADHN CNC(=O)CN1CCCC12CCN(c1nc3ccccc3nc1N1CCCC[C@H]1C)CC2 ZINC001164689546 719740822 /nfs/dbraw/zinc/74/08/22/719740822.db2.gz HGOFRGWTNYUCTF-LJQANCHMSA-N 0 3 436.604 3.189 20 0 IGADHN CNC(=O)CN1CCCC12CCN(c1cnc(Cl)nc1Oc1ccccc1OC)CC2 ZINC001164689880 719755127 /nfs/dbraw/zinc/75/51/27/719755127.db2.gz NMUAXECDUCDISH-UHFFFAOYSA-N 0 3 445.951 3.112 20 0 IGADHN CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164727791 720385324 /nfs/dbraw/zinc/38/53/24/720385324.db2.gz RLFPSRBDTOFCOH-UXHICEINSA-N 0 3 434.544 3.226 20 0 IGADHN c1ccc(N2CCN(c3ccc(N4CC[C@@H]5[C@@H]4CCN5Cc4cccnc4)nn3)CC2)cc1 ZINC001164729303 720442061 /nfs/dbraw/zinc/44/20/61/720442061.db2.gz GVDHVYHXWRZGIG-RPWUZVMVSA-N 0 3 441.583 3.051 20 0 IGADHN Fc1ccc(Oc2ccc(Cl)nn2)c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164743402 720760640 /nfs/dbraw/zinc/76/06/40/720760640.db2.gz PVAYLBWCAHZENS-HZPDHXFCSA-N 0 3 442.882 3.193 20 0 IGADHN c1[nH]c2ccccc2c1-c1ccnc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866917 721084316 /nfs/dbraw/zinc/08/43/16/721084316.db2.gz UZZDQJOTUCTPKS-WOJBJXKFSA-N 0 3 426.524 3.500 20 0 IGADHN CCOc1cc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2cc1OCC ZINC001164866937 721089990 /nfs/dbraw/zinc/08/99/90/721089990.db2.gz VGVTYOGEGONCKS-WOJBJXKFSA-N 0 3 449.555 3.302 20 0 IGADHN COc1cccc2nc(Cl)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c21 ZINC001164866192 721097301 /nfs/dbraw/zinc/09/73/01/721097301.db2.gz RUEYRKTWXARRMP-IRXDYDNUSA-N 0 3 425.920 3.167 20 0 IGADHN Cn1cc(CN2CC[C@H]3CN(c4ccc5c(n4)CCN(Cc4ccccc4)C5)C[C@@H]3C2)cn1 ZINC001164769927 721104679 /nfs/dbraw/zinc/10/46/79/721104679.db2.gz QHBLZCMZGCLGTG-ZCYQVOJMSA-N 0 3 442.611 3.332 20 0 IGADHN COc1cccc(Oc2cncc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164865438 721115705 /nfs/dbraw/zinc/11/57/05/721115705.db2.gz LIVCORMLIBVJBK-DENIHFKCSA-N 0 3 433.512 3.152 20 0 IGADHN O=C(OCc1ccccc1)c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164871104 721157510 /nfs/dbraw/zinc/15/75/10/721157510.db2.gz DRFMRZANGYRYOT-ZEQRLZLVSA-N 0 3 444.535 3.313 20 0 IGADHN COc1ccc(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)c(OC)c1 ZINC001164879109 721161938 /nfs/dbraw/zinc/16/19/38/721161938.db2.gz RTSRKVBWWNGCIH-PZJWPPBQSA-N 0 3 447.539 3.036 20 0 IGADHN O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(N2CC3(C2)CC[N@H+](CC2CC2)C3)nc1 ZINC001164770744 721300486 /nfs/dbraw/zinc/30/04/86/721300486.db2.gz VDUASWFXXKHICP-UHFFFAOYSA-N 0 3 434.512 3.083 20 0 IGADHN O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)nc1 ZINC001164770744 721300487 /nfs/dbraw/zinc/30/04/87/721300487.db2.gz VDUASWFXXKHICP-UHFFFAOYSA-N 0 3 434.512 3.083 20 0 IGADHN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nc(C)cc(N4CCCC4)n3)C2)C1 ZINC001164776022 721330177 /nfs/dbraw/zinc/33/01/77/721330177.db2.gz BXTXLKBAUCSCSF-DEOSSOPVSA-N 0 3 440.592 3.109 20 0 IGADHN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc(C)cc(N4CCCC4)n3)C2)C1 ZINC001164776025 721330340 /nfs/dbraw/zinc/33/03/40/721330340.db2.gz BXTXLKBAUCSCSF-XMMPIXPASA-N 0 3 440.592 3.109 20 0 IGADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)ccc4CN4CCCC4)C3)O2)CC1 ZINC001164890599 721418382 /nfs/dbraw/zinc/41/83/82/721418382.db2.gz UCDPNPYSNFQCES-ZJSXRUAMSA-N 0 3 448.055 3.096 20 0 IGADHN CCOC(=O)c1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1OCC ZINC001164911281 721532169 /nfs/dbraw/zinc/53/21/69/721532169.db2.gz VYHRSJYHRKNWLA-MJGOQNOKSA-N 0 3 429.492 3.138 20 0 IGADHN FC1(F)CCN(c2ccc(CN3CCOCC3)cn2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164907908 721585623 /nfs/dbraw/zinc/58/56/23/721585623.db2.gz WHZZQZDSOIEMEC-QHCPKHFHSA-N 0 3 443.542 3.047 20 0 IGADHN CNC(=O)c1nc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)ccc1Cl ZINC001164904154 721712693 /nfs/dbraw/zinc/71/26/93/721712693.db2.gz AHWQHFIXHXBKAG-FQEVSTJZSA-N 0 3 435.906 3.227 20 0 IGADHN COc1cccc(OC)c1CN1CCC(N(C)c2cccc(N3CCOCC3)n2)CC1 ZINC001165020404 721842724 /nfs/dbraw/zinc/84/27/24/721842724.db2.gz DDYNIHJOSOBIKQ-UHFFFAOYSA-N 0 3 426.561 3.036 20 0 IGADHN CC[C@@H]1C(=O)N(C)c2cnc(N3CCN(C4CCCC4)CC3)nc2N1[C@H]1CCC(F)(F)C1 ZINC001165032013 721858692 /nfs/dbraw/zinc/85/86/92/721858692.db2.gz IXAKHSGGUDZNHE-ZWKOTPCHSA-N 0 3 448.562 3.290 20 0 IGADHN Nc1cc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)cnc1Cl ZINC001164959978 722059255 /nfs/dbraw/zinc/05/92/55/722059255.db2.gz BFQSZOJPYBKILU-UHFFFAOYSA-N 0 3 437.922 3.376 20 0 IGADHN O=C1[C@H]2CCN(c3ncccc3CN3CCCC3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001164969992 722082641 /nfs/dbraw/zinc/08/26/41/722082641.db2.gz STEWAUXLUJKJBS-GOTSBHOMSA-N 0 3 438.547 3.070 20 0 IGADHN CCOC(=O)c1cc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164982844 722099526 /nfs/dbraw/zinc/09/95/26/722099526.db2.gz PJVARSORUXQIKZ-HKUYNNGSSA-N 0 3 430.936 3.034 20 0 IGADHN FC(F)(c1cnc(Cl)nc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164986408 722101351 /nfs/dbraw/zinc/10/13/51/722101351.db2.gz YXVROGVEOCTUSO-ZBFHGGJFSA-N 0 3 444.313 3.451 20 0 IGADHN FC(F)(c1nc(Cl)ncc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983879 722106958 /nfs/dbraw/zinc/10/69/58/722106958.db2.gz QVPICWBEIXZBQV-GDBMZVCRSA-N 0 3 444.313 3.451 20 0 IGADHN c1cncc(CN2CCO[C@@H]3CN(c4nccnc4C4SCCCS4)CC[C@@H]3C2)c1 ZINC001164979771 722109118 /nfs/dbraw/zinc/10/91/18/722109118.db2.gz PVJBUINXICLJEC-RTBURBONSA-N 0 3 443.642 3.468 20 0 IGADHN COC(=O)c1ccc2c(ccnc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164981128 722111006 /nfs/dbraw/zinc/11/10/06/722111006.db2.gz SXGURVZVSKBJSJ-GMAHTHKFSA-N 0 3 432.524 3.144 20 0 IGADHN COC(=O)c1ccc2c(ccnc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164981130 722111272 /nfs/dbraw/zinc/11/12/72/722111272.db2.gz SXGURVZVSKBJSJ-JTHBVZDNSA-N 0 3 432.524 3.144 20 0 IGADHN COc1cc2nc(C)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2cc1OC ZINC001164982473 722119187 /nfs/dbraw/zinc/11/91/87/722119187.db2.gz WQADPYMMFBUGRH-CYFREDJKSA-N 0 3 449.555 3.078 20 0 IGADHN c1ccc(COc2cnnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2)cc1 ZINC001164982666 722125712 /nfs/dbraw/zinc/12/57/12/722125712.db2.gz XREBYSKMEQQDAP-ISKFKSNPSA-N 0 3 431.540 3.178 20 0 IGADHN FC(F)(COc1cccc(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983077 722128233 /nfs/dbraw/zinc/12/82/33/722128233.db2.gz YAQCVSMLGBUYHE-MSOLQXFVSA-N 0 3 438.906 3.325 20 0 IGADHN c1ccc(COc2cnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)cn2)cc1 ZINC001164984930 722133309 /nfs/dbraw/zinc/13/33/09/722133309.db2.gz YLFWGWCCMKDCJO-PKTZIBPZSA-N 0 3 431.540 3.178 20 0 IGADHN CCc1cc2c(nc(Cl)nc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)[nH]1 ZINC001164979649 722136667 /nfs/dbraw/zinc/13/66/67/722136667.db2.gz LQDMBZWZIOPKIR-VQIMIIECSA-N 0 3 426.952 3.296 20 0 IGADHN COc1cccc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)c1 ZINC001164983314 722141629 /nfs/dbraw/zinc/14/16/29/722141629.db2.gz TYLBEAXEHZUASK-ZJSXRUAMSA-N 0 3 431.540 3.275 20 0 IGADHN c1cncc(CN2CCO[C@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CC[C@@H]3C2)c1 ZINC001164973928 722151658 /nfs/dbraw/zinc/15/16/58/722151658.db2.gz NNMXDPSPYZTHAQ-RTWAWAEBSA-N 0 3 432.528 3.131 20 0 IGADHN Fc1ccc2c(c1)[nH]c1ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164971060 722157897 /nfs/dbraw/zinc/15/78/97/722157897.db2.gz ACBHSUXZBADJME-UWJYYQICSA-N 0 3 432.503 3.373 20 0 IGADHN CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164616588 719010208 /nfs/dbraw/zinc/01/02/08/719010208.db2.gz LEAXBKXHJQAMTO-SGTLLEGYSA-N 0 3 446.951 3.113 20 0 IGADHN CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCC2(CCCN2CC(=O)NC)CC1 ZINC001164689852 719739418 /nfs/dbraw/zinc/73/94/18/719739418.db2.gz MANYPULNPBTKQX-UHFFFAOYSA-N 0 3 444.963 3.246 20 0 IGADHN CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164727796 720385281 /nfs/dbraw/zinc/38/52/81/720385281.db2.gz RLFPSRBDTOFCOH-WOJBJXKFSA-N 0 3 434.544 3.226 20 0 IGADHN c1nc(CNC2CCC2)c2n1CCCN(c1ncnc3c1CN(Cc1ccccc1)CC3)C2 ZINC001164837914 720736460 /nfs/dbraw/zinc/73/64/60/720736460.db2.gz OTSCEVPDIKUJND-UHFFFAOYSA-N 0 3 443.599 3.284 20 0 IGADHN c1cc(-c2nc3ccccc3c(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cs1 ZINC001164745384 720766567 /nfs/dbraw/zinc/76/65/67/720766567.db2.gz VNUDMFMOJPSLMW-MSOLQXFVSA-N 0 3 430.537 3.490 20 0 IGADHN Fc1ccc(-c2ccc(Cl)nn2)cc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737523 720781218 /nfs/dbraw/zinc/78/12/18/720781218.db2.gz CDLADTVAJNBBFO-HOTGVXAUSA-N 0 3 426.883 3.068 20 0 IGADHN CCN(CC)C(=O)c1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164867222 721100869 /nfs/dbraw/zinc/10/08/69/721100869.db2.gz XAZYTGVYQRQDBJ-VQTJNVASSA-N 0 3 443.979 3.092 20 0 IGADHN CC(C)(C)OC(=O)Nc1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164873612 721134169 /nfs/dbraw/zinc/13/41/69/721134169.db2.gz IYVINUVDWGGSQR-WOJBJXKFSA-N 0 3 425.533 3.303 20 0 IGADHN CCOc1cc2ncnc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c2cc1OCC ZINC001164763394 721135101 /nfs/dbraw/zinc/13/51/01/721135101.db2.gz FLKCUZKMUOKLTO-RTBURBONSA-N 0 3 436.560 3.119 20 0 IGADHN Clc1nc2c(Cl)nccc2c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164871036 721135831 /nfs/dbraw/zinc/13/58/31/721135831.db2.gz DARPSMGLARGFJO-HUUCEWRRSA-N 0 3 431.327 3.206 20 0 IGADHN Cc1ccc(-c2nc3c(ncnc3N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)o2)cc1 ZINC001164871090 721153018 /nfs/dbraw/zinc/15/30/18/721153018.db2.gz DMUKKINMCNSPOD-NHCUHLMSSA-N 0 3 442.523 3.468 20 0 IGADHN Cc1cc(OCc2ccccc2)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164880427 721173097 /nfs/dbraw/zinc/17/30/97/721173097.db2.gz WNJQVRHKFATDBB-GOTSBHOMSA-N 0 3 431.540 3.239 20 0 IGADHN Cc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164877046 721175291 /nfs/dbraw/zinc/17/52/91/721175291.db2.gz OFWUGEKPKRWVMH-UXHICEINSA-N 0 3 436.947 3.375 20 0 IGADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5cccnc5)nc5ccccc54)C[C@@H]3C2)cn1 ZINC001164772333 721194669 /nfs/dbraw/zinc/19/46/69/721194669.db2.gz SGOMHSSNJWNIGO-SFTDATJTSA-N 0 3 425.540 3.384 20 0 IGADHN O=C(c1ccsc1)N1CCO[C@H]2CN(c3ncccc3CN3CCCC3)CC[C@H]2C1 ZINC001164881995 721300044 /nfs/dbraw/zinc/30/00/44/721300044.db2.gz YZDZTERUYOSROA-RXVVDRJESA-N 0 3 426.586 3.106 20 0 IGADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncccc4OCc4ccccc4)C3)O2)CC1 ZINC001164892211 721432487 /nfs/dbraw/zinc/43/24/87/721432487.db2.gz HSLJVZBZYDWPEM-JYFHCDHNSA-N 0 3 436.600 3.426 20 0 IGADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncccc4OCc4ccccc4)C3)O2)CC1 ZINC001164892209 721432657 /nfs/dbraw/zinc/43/26/57/721432657.db2.gz HSLJVZBZYDWPEM-BVAGGSTKSA-N 0 3 436.600 3.426 20 0 IGADHN COc1cc2ccnc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c2cc1F ZINC001164886064 721448300 /nfs/dbraw/zinc/44/83/00/721448300.db2.gz GIYUOLGBMJSMLV-CYFREDJKSA-N 0 3 428.552 3.148 20 0 IGADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5[nH]c6cc(F)ccc6c54)C3)O2)CC1 ZINC001164887125 721452532 /nfs/dbraw/zinc/45/25/32/721452532.db2.gz IVOFKRXSAXCCJV-HOYKHHGWSA-N 0 3 438.551 3.016 20 0 IGADHN CC(C)(C)OC(=O)Nc1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncn1 ZINC001164902061 721519522 /nfs/dbraw/zinc/51/95/22/721519522.db2.gz YWNQXCXXDKIEMB-FUHWJXTLSA-N 0 3 429.496 3.305 20 0 IGADHN CN(C)c1nc(-c2ccccc2)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911168 721541301 /nfs/dbraw/zinc/54/13/01/721541301.db2.gz VPPRUKSVCWTMPF-CTNGQTDRSA-N 0 3 434.519 3.086 20 0 IGADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CCN3C2)c1 ZINC001164910888 721554019 /nfs/dbraw/zinc/55/40/19/721554019.db2.gz XNFHWVRXTPIAKM-CTNGQTDRSA-N 0 3 448.498 3.396 20 0 IGADHN CN1CCc2nc(Cl)nc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2C1 ZINC001164912571 721734973 /nfs/dbraw/zinc/73/49/73/721734973.db2.gz NUXDTZDTYWOSER-NRFANRHFSA-N 0 3 448.949 3.251 20 0 IGADHN Nc1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164964297 722056674 /nfs/dbraw/zinc/05/66/74/722056674.db2.gz UMNLNSGFLWQVIE-UHFFFAOYSA-N 0 3 437.922 3.376 20 0 IGADHN Clc1c[nH]c2nc(Cl)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164986267 722100122 /nfs/dbraw/zinc/10/01/22/722100122.db2.gz YQBHIBLIDZPMEH-GDBMZVCRSA-N 0 3 433.343 3.387 20 0 IGADHN FC(F)(c1cc(Cl)nc(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983997 722101516 /nfs/dbraw/zinc/10/15/16/722101516.db2.gz RMQGEWAMBMGMQP-CABCVRRESA-N 0 3 444.313 3.451 20 0 IGADHN CCOC(=O)c1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncc1Cl ZINC001164980810 722103006 /nfs/dbraw/zinc/10/30/06/722103006.db2.gz KLDPAGDFZYIKGF-PXNSSMCTSA-N 0 3 430.936 3.034 20 0 IGADHN Clc1nc2c(c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n1)CSCC2 ZINC001164979998 722104158 /nfs/dbraw/zinc/10/41/58/722104158.db2.gz IQNNPOPKMBPNFO-VQIMIIECSA-N 0 3 431.993 3.042 20 0 IGADHN CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983104 722109302 /nfs/dbraw/zinc/10/93/02/722109302.db2.gz YHCFXUZTSKJBQY-QUCCMNQESA-N 0 3 444.963 3.342 20 0 IGADHN COc1cc2nc(C)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2cc1OC ZINC001164982479 722119192 /nfs/dbraw/zinc/11/91/92/722119192.db2.gz WQADPYMMFBUGRH-YADARESESA-N 0 3 449.555 3.078 20 0 IGADHN CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973845 722124565 /nfs/dbraw/zinc/12/45/65/722124565.db2.gz HLWQNXRALPMNJY-UYAOXDASSA-N 0 3 444.963 3.342 20 0 IGADHN COc1cc2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2cc1OC ZINC001164974039 722126964 /nfs/dbraw/zinc/12/69/64/722126964.db2.gz IHKCNGJZYURZGF-GBXCKJPGSA-N 0 3 434.540 3.374 20 0 IGADHN CCc1cc2c(nc(Cl)nc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)[nH]1 ZINC001164979644 722136677 /nfs/dbraw/zinc/13/66/77/722136677.db2.gz LQDMBZWZIOPKIR-APWZRJJASA-N 0 3 426.952 3.296 20 0 IGADHN CC1CCN(C(=O)c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2)CC1 ZINC001164972633 722140304 /nfs/dbraw/zinc/14/03/04/722140304.db2.gz AFUJHLQGHDJWOY-DNQXCXABSA-N 0 3 449.599 3.076 20 0 IGADHN C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC[C@@H]5NCCO[C@H]5C4)c23)C1 ZINC001164391150 718824363 /nfs/dbraw/zinc/82/43/63/718824363.db2.gz SWSYXEQBIKXTKG-NEWSRXKRSA-N 0 3 441.645 3.369 20 0 IGADHN CC[C@H]1C(=O)N(C)c2cnc(N3CCN(CC(C)C)CC3)nc2N1[C@H]1CCC(F)(F)C1 ZINC001164657557 719336373 /nfs/dbraw/zinc/33/63/73/719336373.db2.gz RKUKGDWFBLPGDS-IRXDYDNUSA-N 0 3 436.551 3.004 20 0 IGADHN C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740445 720759710 /nfs/dbraw/zinc/75/97/10/720759710.db2.gz LERCUOKJVHZKBG-AQNXPRMDSA-N 0 3 445.571 3.141 20 0 IGADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(C(=O)N5CCCCC5)cc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164774186 721092941 /nfs/dbraw/zinc/09/29/41/721092941.db2.gz YZHZJOSSHHHONI-QUCCMNQESA-N 0 3 442.995 3.053 20 0 IGADHN O=C(Nc1ccccc1)c1ccnc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164865033 721093399 /nfs/dbraw/zinc/09/33/99/721093399.db2.gz IBYCSXMKJWDQMV-XZOQPEGZSA-N 0 3 429.524 3.209 20 0 IGADHN CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865212 721100318 /nfs/dbraw/zinc/10/03/18/721100318.db2.gz JMUAJKDVTSKVLA-ZWKOTPCHSA-N 0 3 443.979 3.138 20 0 IGADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc5c(n4)CCN(Cc4ccccc4)C5)C[C@H]3C2)cn1 ZINC001164769924 721105145 /nfs/dbraw/zinc/10/51/45/721105145.db2.gz QHBLZCMZGCLGTG-ILBGXUMGSA-N 0 3 442.611 3.332 20 0 IGADHN c1ccc2nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c(N3CCCC3)nc2c1 ZINC001164878344 721136434 /nfs/dbraw/zinc/13/64/34/721136434.db2.gz PXKQGPQQSFBERQ-NHCUHLMSSA-N 0 3 430.556 3.105 20 0 IGADHN CCOC(=O)c1cc2c(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164773536 721159059 /nfs/dbraw/zinc/15/90/59/721159059.db2.gz YIPYZFWXMQGRNR-MOPGFXCFSA-N 0 3 436.560 3.048 20 0 IGADHN CCOc1ccc(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)cc1 ZINC001164872797 721162837 /nfs/dbraw/zinc/16/28/37/721162837.db2.gz IJXLSFKCRPTUHK-GMAHTHKFSA-N 0 3 431.540 3.417 20 0 IGADHN COc1ccc(OC)c(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)c1 ZINC001164880369 721164101 /nfs/dbraw/zinc/16/41/01/721164101.db2.gz WAKRWJQOCWOBTE-FPOVZHCZSA-N 0 3 447.539 3.036 20 0 IGADHN Cc1ccc(-c2nc3c(ncnc3N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)o2)cc1 ZINC001164771842 721206514 /nfs/dbraw/zinc/20/65/14/721206514.db2.gz REJLZNOWLDLNMZ-PMACEKPBSA-N 0 3 429.528 3.285 20 0 IGADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ncccc4OCc4ccccc4)C3)O2)CC1 ZINC001164892214 721432586 /nfs/dbraw/zinc/43/25/86/721432586.db2.gz HSLJVZBZYDWPEM-ZEQKJWHPSA-N 0 3 436.600 3.426 20 0 IGADHN COc1cc2cnc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)cc2cc1OC ZINC001164893138 721438584 /nfs/dbraw/zinc/43/85/84/721438584.db2.gz JIINMAFCRAOURH-OFVILXPXSA-N 0 3 440.588 3.017 20 0 IGADHN Cc1nc(CN2CC[C@@]3(CCCN(c4ncccc4CN4CCCC4)C3)C2=O)cs1 ZINC001164890628 721461896 /nfs/dbraw/zinc/46/18/96/721461896.db2.gz KBCNDXCDFHQZJL-HSZRJFAPSA-N 0 3 425.602 3.461 20 0 IGADHN O=C(NCc1ccccc1)c1cccnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164899976 721515235 /nfs/dbraw/zinc/51/52/35/721515235.db2.gz MWROAUDICTVMCC-GGAORHGYSA-N 0 3 446.526 3.493 20 0 IGADHN CCOC(=O)c1cc2ncnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2s1 ZINC001164907292 721545522 /nfs/dbraw/zinc/54/55/22/721545522.db2.gz MVARGZDGCPPVAJ-RDJZCZTQSA-N 0 3 442.516 3.349 20 0 IGADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4ncnc5c4ncn5-c4ccccc4)CCN3C2)c1 ZINC001164905891 721562413 /nfs/dbraw/zinc/56/24/13/721562413.db2.gz HUGQULFEPAYMFU-FPOVZHCZSA-N 0 3 430.487 3.297 20 0 IGADHN C[C@@H]1CN(c2ccc(CN(C)C3CC3)cn2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165010740 721692038 /nfs/dbraw/zinc/69/20/38/721692038.db2.gz WUMZIWRITIXZCK-MOADCYBESA-N 0 3 435.572 3.474 20 0 IGADHN COc1cc(OC)c2ncnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c2c1 ZINC001164966498 722062537 /nfs/dbraw/zinc/06/25/37/722062537.db2.gz VBPBWOSQQQGVSC-UHFFFAOYSA-N 0 3 449.555 3.161 20 0 IGADHN COC(=O)c1ccc2ccnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164979223 722111094 /nfs/dbraw/zinc/11/10/94/722111094.db2.gz PQWABNJBLSFCFN-FYYLOGMGSA-N 0 3 432.524 3.144 20 0 IGADHN CSc1nc2c(c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n1)CCCC2 ZINC001164981844 722114015 /nfs/dbraw/zinc/11/40/15/722114015.db2.gz VIJOXCFJQBTWQP-NQIIRXRSSA-N 0 3 425.602 3.200 20 0 IGADHN COc1ccc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)n1 ZINC001164973888 722115387 /nfs/dbraw/zinc/11/53/87/722115387.db2.gz HVEKDBQXWGFKSO-FUHWJXTLSA-N 0 3 438.906 3.411 20 0 IGADHN CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973844 722124379 /nfs/dbraw/zinc/12/43/79/722124379.db2.gz HLWQNXRALPMNJY-QUCCMNQESA-N 0 3 444.963 3.342 20 0 IGADHN Cc1nc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(Cl)c1C ZINC001164981017 722128466 /nfs/dbraw/zinc/12/84/66/722128466.db2.gz SAZYRORUYQZEPN-MSOLQXFVSA-N 0 3 437.922 3.414 20 0 IGADHN FC(F)(c1c2c(nnc1Cl)CCC2)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982711 722143207 /nfs/dbraw/zinc/14/32/07/722143207.db2.gz SETMZUXMSALMOM-LPHOPBHVSA-N 0 3 449.933 3.286 20 0 IGADHN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCCC5)nc(C)n4)CC[C@H]32)cs1 ZINC001164987088 722176004 /nfs/dbraw/zinc/17/60/04/722176004.db2.gz MJJNLRKOLJBHOS-WOJBJXKFSA-N 0 3 428.606 3.020 20 0 IGADHN Cc1nc(CN2CCO[C@H]3CCN(c4ccc(CN5CCCC5)cn4)CC[C@@H]32)cs1 ZINC001164992905 722185034 /nfs/dbraw/zinc/18/50/34/722185034.db2.gz XUZJOIJISMOTFJ-VXKWHMMOSA-N 0 3 427.618 3.312 20 0 IGADHN Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(CN(C)C5CC5)cn4)CC[C@@H]32)cs1 ZINC001164992985 722185673 /nfs/dbraw/zinc/18/56/73/722185673.db2.gz YMUIUHIXOQGNQH-FCHUYYIVSA-N 0 3 427.618 3.311 20 0 IGADHN CS(=O)(=O)N1CCCc2cc(C(=O)NC[C@H](c3cccs3)N3CCCC3)ccc21 ZINC000024975492 557184492 /nfs/dbraw/zinc/18/44/92/557184492.db2.gz WMKGTDJUDYJAPU-LJQANCHMSA-N 0 3 433.599 3.027 20 0 IGADHN