smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cc(Cl)nc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164682345 719606112 /nfs/dbraw/zinc/60/61/12/719606112.db2.gz CNRQICHCOLHSIZ-UHFFFAOYSA-N 2 1 405.280 3.063 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cc(Cl)nc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164682345 719606120 /nfs/dbraw/zinc/60/61/20/719606120.db2.gz CNRQICHCOLHSIZ-UHFFFAOYSA-N 2 1 405.280 3.063 20 0 HGADMP Cc1cc(OCc2ccccc2)nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164679528 719646886 /nfs/dbraw/zinc/64/68/86/719646886.db2.gz FKMKKNNLCWECOP-UHFFFAOYSA-N 2 1 406.534 3.036 20 0 HGADMP Cc1cc(OCc2ccccc2)nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164679528 719646890 /nfs/dbraw/zinc/64/68/90/719646890.db2.gz FKMKKNNLCWECOP-UHFFFAOYSA-N 2 1 406.534 3.036 20 0 HGADMP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2[nH+]cnc3c2ccn3Cc2ccc(F)cc2)C1 ZINC001164726108 720517161 /nfs/dbraw/zinc/51/71/61/720517161.db2.gz ARJIMFJRNNMSKZ-GOSISDBHSA-N 2 1 419.508 3.013 20 0 HGADMP COc1ccc2c(cc[nH+]c2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164745611 720818748 /nfs/dbraw/zinc/81/87/48/720818748.db2.gz XFAYDYCHIPTMFT-SXWKCWPCSA-N 2 1 418.545 3.214 20 0 HGADMP COc1ccc2c(cc[nH+]c2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164745611 720818749 /nfs/dbraw/zinc/81/87/49/720818749.db2.gz XFAYDYCHIPTMFT-SXWKCWPCSA-N 2 1 418.545 3.214 20 0 HGADMP CN(C)c1cc[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164755957 720888125 /nfs/dbraw/zinc/88/81/25/720888125.db2.gz NSRPUWMCIQPZHG-RDGATRHJSA-N 2 1 421.589 3.298 20 0 HGADMP COc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]c2ccccc21 ZINC001164984645 722132403 /nfs/dbraw/zinc/13/24/03/722132403.db2.gz YEWRKXCHLXULCP-WMZHIEFXSA-N 2 1 404.514 3.366 20 0 HGADMP COc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]c2ccccc21 ZINC001164984645 722132407 /nfs/dbraw/zinc/13/24/07/722132407.db2.gz YEWRKXCHLXULCP-WMZHIEFXSA-N 2 1 404.514 3.366 20 0 HGADMP Cc1nc2c(n1-c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)CC[NH2+]CC2 ZINC001164430724 718949510 /nfs/dbraw/zinc/94/95/10/718949510.db2.gz XCUWMYUQKLGQNJ-UHFFFAOYSA-N 2 1 410.591 3.476 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(-c2nccnc2C2SCCCS2)c2c1CC[NH2+]C2 ZINC001164683922 719614142 /nfs/dbraw/zinc/61/41/42/719614142.db2.gz LMLNUQCLJMOAHL-UHFFFAOYSA-N 2 1 404.609 3.017 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(-c2nccnc2C2SCCCS2)c2c1CC[NH2+]C2 ZINC001164683922 719614150 /nfs/dbraw/zinc/61/41/50/719614150.db2.gz LMLNUQCLJMOAHL-UHFFFAOYSA-N 2 1 404.609 3.017 20 0 HGADMP COc1ccc2c(C)cc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)[nH+]c2c1 ZINC001164828449 720326696 /nfs/dbraw/zinc/32/66/96/720326696.db2.gz JNCHTHOHWLAHDS-DHIUTWEWSA-N 2 1 422.573 3.463 20 0 HGADMP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]ccc4c3ccn4Cc3ccccc3)CC[C@H]2C1 ZINC001164860635 720861122 /nfs/dbraw/zinc/86/11/22/720861122.db2.gz WKODVAPOKYESEY-XUZZJYLKSA-N 2 1 420.557 3.258 20 0 HGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)[C@@H]2C ZINC001164857955 720943263 /nfs/dbraw/zinc/94/32/63/720943263.db2.gz ILMXXDOLQOJCIB-OAHLLOKOSA-N 2 1 417.989 3.215 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(-c2ncnc3c(-c4ccccc4)nsc32)c2c1CC[NH2+]C2 ZINC001164680599 719640661 /nfs/dbraw/zinc/64/06/61/719640661.db2.gz XRXCGSURGDGKSP-UHFFFAOYSA-N 2 1 419.558 3.425 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(-c2ncnc3c(-c4ccccc4)nsc32)c2c1CC[NH2+]C2 ZINC001164680599 719640665 /nfs/dbraw/zinc/64/06/65/719640665.db2.gz XRXCGSURGDGKSP-UHFFFAOYSA-N 2 1 419.558 3.425 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(-c2nccc(SCc3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164680536 719647772 /nfs/dbraw/zinc/64/77/72/719647772.db2.gz VAFDWGRGUKBFHY-UHFFFAOYSA-N 2 1 408.575 3.441 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(-c2nccc(SCc3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164680536 719647779 /nfs/dbraw/zinc/64/77/79/719647779.db2.gz VAFDWGRGUKBFHY-UHFFFAOYSA-N 2 1 408.575 3.441 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3ccccn3)nc3sccc32)c2c1CC[NH2+]C2 ZINC001164680619 719647998 /nfs/dbraw/zinc/64/79/98/719647998.db2.gz YSMMRLJIERAEJI-UHFFFAOYSA-N 2 1 419.558 3.425 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3ccccn3)nc3sccc32)c2c1CC[NH2+]C2 ZINC001164680619 719648005 /nfs/dbraw/zinc/64/80/05/719648005.db2.gz YSMMRLJIERAEJI-UHFFFAOYSA-N 2 1 419.558 3.425 20 0 HGADMP COCc1nn(-c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)c2c1C[NH2+]C2 ZINC001164710161 720078560 /nfs/dbraw/zinc/07/85/60/720078560.db2.gz IGLOKVBGDRFFJD-UHFFFAOYSA-N 2 1 420.542 3.355 20 0 HGADMP C[NH+]1CCC(Oc2ccnc(N([C@@H]3COC4(C3)CC[NH2+]CC4)C(C)(C)C)c2)CC1 ZINC001164733162 720547440 /nfs/dbraw/zinc/54/74/40/720547440.db2.gz BPZATWRVQFKLMZ-SFHVURJKSA-N 2 1 402.583 3.071 20 0 HGADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(N3CCCC3)cc[nH+]1)CC2 ZINC001164840381 720654599 /nfs/dbraw/zinc/65/45/99/720654599.db2.gz MAUZADQJYJJLFZ-NRFANRHFSA-N 2 1 407.562 3.337 20 0 HGADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(N3CCCC3)cc[nH+]1)CC2 ZINC001164840381 720654616 /nfs/dbraw/zinc/65/46/16/720654616.db2.gz MAUZADQJYJJLFZ-NRFANRHFSA-N 2 1 407.562 3.337 20 0 HGADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]ccc4c3ccn4C)C2)C1 ZINC001164778832 721342297 /nfs/dbraw/zinc/34/22/97/721342297.db2.gz PBAONEQPIKZODQ-QHCPKHFHSA-N 2 1 409.534 3.297 20 0 HGADMP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(Cl)nc4c2C[NH2+]CC4)C3)c1 ZINC001164995307 722191684 /nfs/dbraw/zinc/19/16/84/722191684.db2.gz UGAUZPTUYKXOGO-OAQYLSRUSA-N 2 1 401.917 3.160 20 0 HGADMP O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C(F)(F)F ZINC001473751355 1126198921 /nfs/dbraw/zinc/19/89/21/1126198921.db2.gz UCBGRZVZHYRQIV-LEWJYISDSA-N 2 1 408.464 3.143 20 0 HGADMP CC(C)N(c1nc(Cl)ccc1C[NH+]1CCCC1)c1ncnc2c1CC[NH2+]CC2 ZINC001164661235 719344762 /nfs/dbraw/zinc/34/47/62/719344762.db2.gz JZFJDKZXDZYVMB-UHFFFAOYSA-N 2 1 400.958 3.356 20 0 HGADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ncccc3C[NH+]3CCCC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164844163 720642415 /nfs/dbraw/zinc/64/24/15/720642415.db2.gz ZMDVKNKXHLZUNF-XPWALMASSA-N 2 1 408.594 3.252 20 0 HGADMP CC[N@H+]1CCCC[C@H]1c1ccc(-n2nc(C(=O)N3CCC[C@H]3C)c3c2CC[NH2+]C3)nc1 ZINC001164853696 720806359 /nfs/dbraw/zinc/80/63/59/720806359.db2.gz SHLQOKVJYDMXRY-XLIONFOSSA-N 2 1 422.577 3.084 20 0 HGADMP COc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]c2ccccc21 ZINC001164744691 720839942 /nfs/dbraw/zinc/83/99/42/720839942.db2.gz LDBRUSWCTTYLFM-XQBPLPMBSA-N 2 1 418.545 3.214 20 0 HGADMP COc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]c2ccccc21 ZINC001164744691 720839943 /nfs/dbraw/zinc/83/99/43/720839943.db2.gz LDBRUSWCTTYLFM-XQBPLPMBSA-N 2 1 418.545 3.214 20 0 HGADMP Cc1c[nH+]c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(N)c1 ZINC001164756244 720900631 /nfs/dbraw/zinc/90/06/31/720900631.db2.gz OQXLCIBVDRHFDC-URXFXBBRSA-N 2 1 407.562 3.122 20 0 HGADMP Cc1c[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(N)c1 ZINC001164756244 720900642 /nfs/dbraw/zinc/90/06/42/720900642.db2.gz OQXLCIBVDRHFDC-URXFXBBRSA-N 2 1 407.562 3.122 20 0 HGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc(C4CC[NH2+]CC4)n3)C[C@H]21 ZINC001165029656 721819015 /nfs/dbraw/zinc/81/90/15/721819015.db2.gz ZXNDNMYJDZXBQD-XKCSPQBFSA-N 2 1 406.578 3.076 20 0 HGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)C[C@H]21 ZINC001165028811 721820269 /nfs/dbraw/zinc/82/02/69/721820269.db2.gz XTHNWFGNVXTEFX-WWPVKYPJSA-N 3 1 420.605 3.141 20 0 HGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(N4CCC([NH3+])CC4)n3)C[C@H]21 ZINC001165028811 721820272 /nfs/dbraw/zinc/82/02/72/721820272.db2.gz XTHNWFGNVXTEFX-WWPVKYPJSA-N 2 1 420.605 3.141 20 0 HGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(N4CCC([NH3+])CC4)n3)C[C@H]21 ZINC001165028811 721820273 /nfs/dbraw/zinc/82/02/73/721820273.db2.gz XTHNWFGNVXTEFX-WWPVKYPJSA-N 2 1 420.605 3.141 20 0 HGADMP CCOc1cc2ncnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2cc1OCC ZINC001164681517 719623024 /nfs/dbraw/zinc/62/30/24/719623024.db2.gz GYHZPZZWGLMHIC-UHFFFAOYSA-N 2 1 424.549 3.099 20 0 HGADMP CCOc1cc2ncnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2cc1OCC ZINC001164681517 719623030 /nfs/dbraw/zinc/62/30/30/719623030.db2.gz GYHZPZZWGLMHIC-UHFFFAOYSA-N 2 1 424.549 3.099 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cc3cc[nH]c3c(Cl)n2)c2c1CC[NH2+]C2 ZINC001164680145 719634341 /nfs/dbraw/zinc/63/43/41/719634341.db2.gz PZBGOGDUOSQMDS-UHFFFAOYSA-N 2 1 408.884 3.496 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cc3cc[nH]c3c(Cl)n2)c2c1CC[NH2+]C2 ZINC001164680145 719634349 /nfs/dbraw/zinc/63/43/49/719634349.db2.gz PZBGOGDUOSQMDS-UHFFFAOYSA-N 2 1 408.884 3.496 20 0 HGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-n2nc(C(=O)N3CCC[C@@H]3C)c3c2CC[NH2+]C3)nc1 ZINC001164853692 720806373 /nfs/dbraw/zinc/80/63/73/720806373.db2.gz SHLQOKVJYDMXRY-FXAWDEMLSA-N 2 1 422.577 3.084 20 0 HGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000328603880 569294163 /nfs/dbraw/zinc/29/41/63/569294163.db2.gz HHWXWIGIGDRDCN-AUSIDOKSSA-N 2 1 404.518 3.465 20 0 HGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H](CF)[C@H](C4([NH3+])CC4)C3)c2c1C ZINC001164625822 719122262 /nfs/dbraw/zinc/12/22/62/719122262.db2.gz YZYVTIBUGVWPJQ-HZPDHXFCSA-N 2 1 403.571 3.417 20 0 HGADMP CSc1nc(Cl)cc(C(F)(F)n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164683934 719605175 /nfs/dbraw/zinc/60/51/75/719605175.db2.gz LPJJYVVVQGIWKI-UHFFFAOYSA-N 2 1 416.929 3.132 20 0 HGADMP CSc1nc(Cl)cc(C(F)(F)n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164683934 719605186 /nfs/dbraw/zinc/60/51/86/719605186.db2.gz LPJJYVVVQGIWKI-UHFFFAOYSA-N 2 1 416.929 3.132 20 0 HGADMP CC(C)[N@H+]1[C@@H]2CCN(c3cc[nH+]c(N4CCCCC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164844154 720598881 /nfs/dbraw/zinc/59/88/81/720598881.db2.gz ZHHFYLNMTOMTQA-PCCBWWKXSA-N 2 1 409.582 3.041 20 0 HGADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cc[nH+]c(N4CCCCC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164844154 720598893 /nfs/dbraw/zinc/59/88/93/720598893.db2.gz ZHHFYLNMTOMTQA-PCCBWWKXSA-N 2 1 409.582 3.041 20 0 HGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164748875 720800570 /nfs/dbraw/zinc/80/05/70/720800570.db2.gz RUYNBGPMGOLZER-FUPPJEDESA-N 2 1 422.577 3.151 20 0 HGADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164748875 720800573 /nfs/dbraw/zinc/80/05/73/720800573.db2.gz RUYNBGPMGOLZER-FUPPJEDESA-N 2 1 422.577 3.151 20 0 HGADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164748875 720800574 /nfs/dbraw/zinc/80/05/74/720800574.db2.gz RUYNBGPMGOLZER-FUPPJEDESA-N 2 1 422.577 3.151 20 0 HGADMP COc1ccc2c[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc2c1 ZINC001164741896 720839713 /nfs/dbraw/zinc/83/97/13/720839713.db2.gz FVJMECHVQATDTJ-FUPPJEDESA-N 2 1 418.545 3.214 20 0 HGADMP COc1ccc2c[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc2c1 ZINC001164741896 720839714 /nfs/dbraw/zinc/83/97/14/720839714.db2.gz FVJMECHVQATDTJ-FUPPJEDESA-N 2 1 418.545 3.214 20 0 HGADMP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3[nH+]cc(Cn4cccn4)n3CC2)nc1 ZINC001164862014 721033664 /nfs/dbraw/zinc/03/36/64/721033664.db2.gz JXOGISVSEKZXBF-OAQYLSRUSA-N 2 1 405.550 3.133 20 0 HGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3[nH+]cc(Cn4cccn4)n3CC2)nc1 ZINC001164862014 721033669 /nfs/dbraw/zinc/03/36/69/721033669.db2.gz JXOGISVSEKZXBF-OAQYLSRUSA-N 2 1 405.550 3.133 20 0 HGADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]cnc3[nH]c(C)cc31)CC2 ZINC001164787692 721455652 /nfs/dbraw/zinc/45/56/52/721455652.db2.gz PLTANMFXNUGDIF-IBGZPJMESA-N 2 1 413.566 3.000 20 0 HGADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]cnc3[nH]c(C)cc31)CC2 ZINC001164787692 721455653 /nfs/dbraw/zinc/45/56/53/721455653.db2.gz PLTANMFXNUGDIF-IBGZPJMESA-N 2 1 413.566 3.000 20 0 HGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)C[C@H]21 ZINC001165028803 721820509 /nfs/dbraw/zinc/82/05/09/721820509.db2.gz XTHNWFGNVXTEFX-UEVCKROQSA-N 3 1 420.605 3.141 20 0 HGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cccc(N4CCC([NH3+])CC4)n3)C[C@H]21 ZINC001165028803 721820510 /nfs/dbraw/zinc/82/05/10/721820510.db2.gz XTHNWFGNVXTEFX-UEVCKROQSA-N 2 1 420.605 3.141 20 0 HGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cccc(N4CCC([NH3+])CC4)n3)C[C@H]21 ZINC001165028803 721820512 /nfs/dbraw/zinc/82/05/12/721820512.db2.gz XTHNWFGNVXTEFX-UEVCKROQSA-N 2 1 420.605 3.141 20 0 HGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](CF)[C@H](C4([NH3+])CC4)C3)c2c1C ZINC001164625826 719122459 /nfs/dbraw/zinc/12/24/59/719122459.db2.gz YZYVTIBUGVWPJQ-JKSUJKDBSA-N 2 1 403.571 3.417 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(-c2nc(C(F)F)nc3ccc(F)cc32)c2c1CC[NH2+]C2 ZINC001164679472 719647953 /nfs/dbraw/zinc/64/79/53/719647953.db2.gz BSQSSOUJLDWDEZ-UHFFFAOYSA-N 2 1 404.440 3.378 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(C(F)F)nc3ccc(F)cc32)c2c1CC[NH2+]C2 ZINC001164679472 719647958 /nfs/dbraw/zinc/64/79/58/719647958.db2.gz BSQSSOUJLDWDEZ-UHFFFAOYSA-N 2 1 404.440 3.378 20 0 HGADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3c1ccn3C)CC2 ZINC001164719103 720105655 /nfs/dbraw/zinc/10/56/55/720105655.db2.gz WBDKEYDQNQXMAI-HXUWFJFHSA-N 2 1 405.546 3.476 20 0 HGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3cc(OC)c(OC)cc31)C2 ZINC001164807069 720123540 /nfs/dbraw/zinc/12/35/40/720123540.db2.gz BHCUYVAMZVLHNF-YADARESESA-N 2 1 411.546 3.437 20 0 HGADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(C[NH+](C)C4CC4)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842267 720617942 /nfs/dbraw/zinc/61/79/42/720617942.db2.gz VFPYNPKWBFYRFZ-AKIFATBCSA-N 2 1 408.594 3.250 20 0 HGADMP CC(C)[NH+]1[C@@H]2CCN(c3ccc(C[N@H+](C)C4CC4)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842267 720617949 /nfs/dbraw/zinc/61/79/49/720617949.db2.gz VFPYNPKWBFYRFZ-AKIFATBCSA-N 2 1 408.594 3.250 20 0 HGADMP CC(C)[NH+]1[C@@H]2CCN(c3ccc(C[N@@H+](C)C4CC4)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842267 720617954 /nfs/dbraw/zinc/61/79/54/720617954.db2.gz VFPYNPKWBFYRFZ-AKIFATBCSA-N 2 1 408.594 3.250 20 0 HGADMP COc1cc[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164749057 720871819 /nfs/dbraw/zinc/87/18/19/720871819.db2.gz GPFQZWNBRLGFGJ-URXFXBBRSA-N 2 1 408.546 3.240 20 0 HGADMP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)C[C@H]3C2)cn1 ZINC001164774137 721149308 /nfs/dbraw/zinc/14/93/08/721149308.db2.gz ZVHCAJQUQYXCQS-AZUAARDMSA-N 2 1 414.985 3.023 20 0 HGADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)C[C@H]3C2)cn1 ZINC001164774137 721149314 /nfs/dbraw/zinc/14/93/14/721149314.db2.gz ZVHCAJQUQYXCQS-AZUAARDMSA-N 2 1 414.985 3.023 20 0 HGADMP CCc1nc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)cc(C)[nH+]1 ZINC001164791332 721467477 /nfs/dbraw/zinc/46/74/77/721467477.db2.gz XDANIAGEGBEWDS-FQEVSTJZSA-N 2 1 402.583 3.081 20 0 HGADMP CCc1nc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)cc(C)[nH+]1 ZINC001164791332 721467480 /nfs/dbraw/zinc/46/74/80/721467480.db2.gz XDANIAGEGBEWDS-FQEVSTJZSA-N 2 1 402.583 3.081 20 0 HGADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(-n3ccnc3)cc[nH+]1)C2 ZINC001164909729 721763637 /nfs/dbraw/zinc/76/36/37/721763637.db2.gz FPCXXIGTJGJWOE-UHFFFAOYSA-N 2 1 400.486 3.450 20 0 HGADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(-n3ccnc3)cc[nH+]1)C2 ZINC001164909729 721763643 /nfs/dbraw/zinc/76/36/43/721763643.db2.gz FPCXXIGTJGJWOE-UHFFFAOYSA-N 2 1 400.486 3.450 20 0 HGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc(C4CC[NH2+]CC4)n3)C[C@H]21 ZINC001165029652 721819150 /nfs/dbraw/zinc/81/91/50/721819150.db2.gz ZXNDNMYJDZXBQD-KJXAQDMKSA-N 2 1 406.578 3.076 20 0 HGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)C[C@@H]21 ZINC001165028797 721820166 /nfs/dbraw/zinc/82/01/66/721820166.db2.gz XTHNWFGNVXTEFX-AJSBUHFISA-N 3 1 420.605 3.141 20 0 HGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(N4CCC([NH3+])CC4)n3)C[C@@H]21 ZINC001165028797 721820167 /nfs/dbraw/zinc/82/01/67/721820167.db2.gz XTHNWFGNVXTEFX-AJSBUHFISA-N 2 1 420.605 3.141 20 0 HGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(N4CCC([NH3+])CC4)n3)C[C@@H]21 ZINC001165028797 721820170 /nfs/dbraw/zinc/82/01/70/721820170.db2.gz XTHNWFGNVXTEFX-AJSBUHFISA-N 2 1 420.605 3.141 20 0 HGADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)n1 ZINC001164405566 718864553 /nfs/dbraw/zinc/86/45/53/718864553.db2.gz FELPSQNJQVBYPG-IEBWSBKVSA-N 2 1 423.586 3.235 20 0 HGADMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3[nH]c(C)c(C)c31)CC2 ZINC001164718051 720120886 /nfs/dbraw/zinc/12/08/86/720120886.db2.gz RBGOQGLGDCQQRS-HXUWFJFHSA-N 2 1 420.561 3.477 20 0 HGADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3[nH]c(C)c(C)c31)CC2 ZINC001164718051 720120888 /nfs/dbraw/zinc/12/08/88/720120888.db2.gz RBGOQGLGDCQQRS-HXUWFJFHSA-N 2 1 420.561 3.477 20 0 HGADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CC[N@@H+]3C(C)(C)c2ccnc(Cl)c2)CC1 ZINC001164831099 720355490 /nfs/dbraw/zinc/35/54/90/720355490.db2.gz XNTGKCDVZGEKDM-RBUKOAKNSA-N 2 1 404.986 3.377 20 0 HGADMP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2[nH+]cnc3c2ccn3Cc2cccc(F)c2)C1 ZINC001164729470 720516938 /nfs/dbraw/zinc/51/69/38/720516938.db2.gz OIGXAAOSTBRKHS-GOSISDBHSA-N 2 1 419.508 3.013 20 0 HGADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c12 ZINC001164728857 720568345 /nfs/dbraw/zinc/56/83/45/720568345.db2.gz NYGZSQIYDPGCTR-UHFFFAOYSA-N 2 1 405.550 3.401 20 0 HGADMP COc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]c2ccccc21 ZINC001164744686 720839835 /nfs/dbraw/zinc/83/98/35/720839835.db2.gz LDBRUSWCTTYLFM-NNMXDRDESA-N 2 1 418.545 3.214 20 0 HGADMP COc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]c2ccccc21 ZINC001164744686 720839837 /nfs/dbraw/zinc/83/98/37/720839837.db2.gz LDBRUSWCTTYLFM-NNMXDRDESA-N 2 1 418.545 3.214 20 0 HGADMP COc1cc[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164749055 720871633 /nfs/dbraw/zinc/87/16/33/720871633.db2.gz GPFQZWNBRLGFGJ-QPPBQGQZSA-N 2 1 408.546 3.240 20 0 HGADMP CN(C)c1cc[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164755955 720888472 /nfs/dbraw/zinc/88/84/72/720888472.db2.gz NSRPUWMCIQPZHG-DHLKQENFSA-N 2 1 421.589 3.298 20 0 HGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164759534 721234753 /nfs/dbraw/zinc/23/47/53/721234753.db2.gz ASUMJVLZJPPHLD-DNVJHFABSA-N 2 1 408.594 3.320 20 0 HGADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164759534 721234760 /nfs/dbraw/zinc/23/47/60/721234760.db2.gz ASUMJVLZJPPHLD-DNVJHFABSA-N 2 1 408.594 3.320 20 0 HGADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164759534 721234766 /nfs/dbraw/zinc/23/47/66/721234766.db2.gz ASUMJVLZJPPHLD-DNVJHFABSA-N 2 1 408.594 3.320 20 0 HGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cccc(N4CCOCC4)[nH+]3)C[C@H]21 ZINC001165027621 721819318 /nfs/dbraw/zinc/81/93/18/721819318.db2.gz VJSBQMFOYPUGGD-CEMLEFRQSA-N 2 1 407.562 3.050 20 0 HGADMP c1cc(C[N@@H+]2CCOCC3(CCN(c4ccc(C[NH+]5CCCC5)cn4)CC3)C2)ccn1 ZINC001164960663 722059185 /nfs/dbraw/zinc/05/91/85/722059185.db2.gz GMTNRVUGORATOS-UHFFFAOYSA-N 2 1 421.589 3.191 20 0 HGADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCO[C@@H]3C[NH2+]CC[C@H]3C2)n1 ZINC001164405568 718864674 /nfs/dbraw/zinc/86/46/74/718864674.db2.gz FELPSQNJQVBYPG-PKOBYXMFSA-N 2 1 423.586 3.235 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(-c2cc(Cl)nc(Cc3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164683378 719617303 /nfs/dbraw/zinc/61/73/03/719617303.db2.gz INMXSOSKBYXCBV-UHFFFAOYSA-N 2 1 410.953 3.392 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(Cl)nc(Cc3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164683378 719617317 /nfs/dbraw/zinc/61/73/17/719617317.db2.gz INMXSOSKBYXCBV-UHFFFAOYSA-N 2 1 410.953 3.392 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(NC(=O)OC(C)(C)C)cn2)c2c1CC[NH2+]C2 ZINC001164679494 719636727 /nfs/dbraw/zinc/63/67/27/719636727.db2.gz CPPLDIHDISVTQR-UHFFFAOYSA-N 2 1 400.527 3.100 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(NC(=O)OC(C)(C)C)cn2)c2c1CC[NH2+]C2 ZINC001164679494 719636736 /nfs/dbraw/zinc/63/67/36/719636736.db2.gz CPPLDIHDISVTQR-UHFFFAOYSA-N 2 1 400.527 3.100 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3cccnc3)nc3ccccc32)c2c1CC[NH2+]C2 ZINC001164679740 719638996 /nfs/dbraw/zinc/63/89/96/719638996.db2.gz LFCGLWRHRHUKSV-UHFFFAOYSA-N 2 1 413.529 3.363 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3cccnc3)nc3ccccc32)c2c1CC[NH2+]C2 ZINC001164679740 719639002 /nfs/dbraw/zinc/63/90/02/719639002.db2.gz LFCGLWRHRHUKSV-UHFFFAOYSA-N 2 1 413.529 3.363 20 0 HGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCC[NH+]3CC(=O)NC)CC2)nc1 ZINC001164689810 719753096 /nfs/dbraw/zinc/75/30/96/719753096.db2.gz KAIBOTLBJWRIFB-OAQYLSRUSA-N 2 1 413.610 3.199 20 0 HGADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)nc1 ZINC001164689810 719753104 /nfs/dbraw/zinc/75/31/04/719753104.db2.gz KAIBOTLBJWRIFB-OAQYLSRUSA-N 2 1 413.610 3.199 20 0 HGADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)nc1 ZINC001164689810 719753113 /nfs/dbraw/zinc/75/31/13/719753113.db2.gz KAIBOTLBJWRIFB-OAQYLSRUSA-N 2 1 413.610 3.199 20 0 HGADMP Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc4c2CC[NH2+]C4)CC3)cs1 ZINC001164692748 719805316 /nfs/dbraw/zinc/80/53/16/719805316.db2.gz PCJRRNUZAYNJLW-UHFFFAOYSA-N 2 1 418.998 3.176 20 0 HGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1 ZINC001164742469 720593220 /nfs/dbraw/zinc/59/32/20/720593220.db2.gz NMPSMCPCXLKPJR-QFIPXVFZSA-N 2 1 408.594 3.484 20 0 HGADMP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]ccc4c3ccn4Cc3ccccc3)CC[C@@H]2C1 ZINC001164860618 720860828 /nfs/dbraw/zinc/86/08/28/720860828.db2.gz WKODVAPOKYESEY-QPPBQGQZSA-N 2 1 420.557 3.258 20 0 HGADMP Cc1c[nH+]c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(N)c1 ZINC001164756245 720899996 /nfs/dbraw/zinc/89/99/96/720899996.db2.gz OQXLCIBVDRHFDC-XUZZJYLKSA-N 2 1 407.562 3.122 20 0 HGADMP Cc1c[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(N)c1 ZINC001164756245 720899999 /nfs/dbraw/zinc/89/99/99/720899999.db2.gz OQXLCIBVDRHFDC-XUZZJYLKSA-N 2 1 407.562 3.122 20 0 HGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CC[NH+](Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164759539 721234915 /nfs/dbraw/zinc/23/49/15/721234915.db2.gz ASUMJVLZJPPHLD-YTFSRNRJSA-N 2 1 408.594 3.320 20 0 HGADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164759539 721234921 /nfs/dbraw/zinc/23/49/21/721234921.db2.gz ASUMJVLZJPPHLD-YTFSRNRJSA-N 2 1 408.594 3.320 20 0 HGADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164759539 721234927 /nfs/dbraw/zinc/23/49/27/721234927.db2.gz ASUMJVLZJPPHLD-YTFSRNRJSA-N 2 1 408.594 3.320 20 0 HGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(C[C@@H]2OC[C@@H]3CC[NH2+]C[C@H]32)c2ncccn2)nc1 ZINC001164793440 721484421 /nfs/dbraw/zinc/48/44/21/721484421.db2.gz VDOMGXHAAINRDB-CBPXPLCBSA-N 2 1 422.577 3.181 20 0 HGADMP COc1ccc2c(cc[nH+]c2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164979916 722106912 /nfs/dbraw/zinc/10/69/12/722106912.db2.gz IIQFCPSQKZJBAM-OFNKIYASSA-N 2 1 404.514 3.366 20 0 HGADMP COc1ccc2c(cc[nH+]c2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164979916 722106914 /nfs/dbraw/zinc/10/69/14/722106914.db2.gz IIQFCPSQKZJBAM-OFNKIYASSA-N 2 1 404.514 3.366 20 0 HGADMP CCOC(=O)c1cc2c(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)[nH]c(C)c(C)c-2n1 ZINC001164685063 719628220 /nfs/dbraw/zinc/62/82/20/719628220.db2.gz ZIXXBAHFXWMXPD-UHFFFAOYSA-N 2 1 424.549 3.028 20 0 HGADMP CCOC(=O)c1cc2c(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)[nH]c(C)c(C)c-2n1 ZINC001164685063 719628226 /nfs/dbraw/zinc/62/82/26/719628226.db2.gz ZIXXBAHFXWMXPD-UHFFFAOYSA-N 2 1 424.549 3.028 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cc(C3CC3)nnc2Cl)c2c1CC[NH2+]C2 ZINC001164680130 719640630 /nfs/dbraw/zinc/64/06/30/719640630.db2.gz PCFVTBFNRFLIFY-UHFFFAOYSA-N 2 1 410.900 3.287 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cc(C3CC3)nnc2Cl)c2c1CC[NH2+]C2 ZINC001164680130 719640636 /nfs/dbraw/zinc/64/06/36/719640636.db2.gz PCFVTBFNRFLIFY-UHFFFAOYSA-N 2 1 410.900 3.287 20 0 HGADMP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2[nH+]cnc3c2ccn3Cc2cccc(F)c2)C1 ZINC001164729471 720517190 /nfs/dbraw/zinc/51/71/90/720517190.db2.gz OIGXAAOSTBRKHS-SFHVURJKSA-N 2 1 419.508 3.013 20 0 HGADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843552 720601040 /nfs/dbraw/zinc/60/10/40/720601040.db2.gz XYJSYKWBMWNGBN-RJGXRXQPSA-N 2 1 408.594 3.252 20 0 HGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)CC[C@@H]21 ZINC001164844162 720643892 /nfs/dbraw/zinc/64/38/92/720643892.db2.gz ZMDVKNKXHLZUNF-VJBWXMMDSA-N 2 1 408.594 3.252 20 0 HGADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cccc(N3CCOCC3)[nH+]1)CC2 ZINC001164837031 720705597 /nfs/dbraw/zinc/70/55/97/720705597.db2.gz CXHBEIFVWQNXQY-QFIPXVFZSA-N 2 1 422.573 3.178 20 0 HGADMP COc1ccc2c[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc2c1 ZINC001164741901 720839449 /nfs/dbraw/zinc/83/94/49/720839449.db2.gz FVJMECHVQATDTJ-MQSCRBSSSA-N 2 1 418.545 3.214 20 0 HGADMP COc1ccc2c[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc2c1 ZINC001164741901 720839452 /nfs/dbraw/zinc/83/94/52/720839452.db2.gz FVJMECHVQATDTJ-MQSCRBSSSA-N 2 1 418.545 3.214 20 0 HGADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(-n5ccnc5)cc[nH+]4)CC3)C2)cc1 ZINC001164939411 721932530 /nfs/dbraw/zinc/93/25/30/721932530.db2.gz KKYUFBKWSKQIHP-UHFFFAOYSA-N 2 1 403.530 3.447 20 0 HGADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCO[C@H]3C[NH2+]CC[C@H]3C2)n1 ZINC001164405565 718864635 /nfs/dbraw/zinc/86/46/35/718864635.db2.gz FELPSQNJQVBYPG-HKUYNNGSSA-N 2 1 423.586 3.235 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(-c2ncnc3c2ccn3Cc2ccccc2)c2c1CC[NH2+]C2 ZINC001164682556 719625252 /nfs/dbraw/zinc/62/52/52/719625252.db2.gz NZHSDBITTWGFME-UHFFFAOYSA-N 2 1 415.545 3.151 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(-c2ncnc3c2ccn3Cc2ccccc2)c2c1CC[NH2+]C2 ZINC001164682556 719625270 /nfs/dbraw/zinc/62/52/70/719625270.db2.gz NZHSDBITTWGFME-UHFFFAOYSA-N 2 1 415.545 3.151 20 0 HGADMP CC(C)n1ccc2c1nc(Cl)nc2-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164680562 719636533 /nfs/dbraw/zinc/63/65/33/719636533.db2.gz WCLXIDXJJKJOCE-UHFFFAOYSA-N 2 1 401.946 3.337 20 0 HGADMP CC(C)n1ccc2c1nc(Cl)nc2-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164680562 719636540 /nfs/dbraw/zinc/63/65/40/719636540.db2.gz WCLXIDXJJKJOCE-UHFFFAOYSA-N 2 1 401.946 3.337 20 0 HGADMP COCc1nn(-c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)c2c1C[NH2+]C2 ZINC001164712302 720079211 /nfs/dbraw/zinc/07/92/11/720079211.db2.gz OMDQBCHCCLHDIH-UHFFFAOYSA-N 2 1 424.574 3.101 20 0 HGADMP CCN(C)c1cc(C)[nH+]c(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164709984 720092878 /nfs/dbraw/zinc/09/28/78/720092878.db2.gz DRISRFXXVHCRMF-OAQYLSRUSA-N 2 1 424.593 3.144 20 0 HGADMP COc1ccc2c(C)cc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)[nH+]c2c1 ZINC001164828452 720326946 /nfs/dbraw/zinc/32/69/46/720326946.db2.gz JNCHTHOHWLAHDS-XZOQPEGZSA-N 2 1 422.573 3.463 20 0 HGADMP COc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]c2ccccc21 ZINC001164833007 720330493 /nfs/dbraw/zinc/33/04/93/720330493.db2.gz VKSQHCLDNOTZQZ-RTWAWAEBSA-N 2 1 408.546 3.155 20 0 HGADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3C(C)(C)c2ccnc(Cl)c2)CC1 ZINC001164831102 720355290 /nfs/dbraw/zinc/35/52/90/720355290.db2.gz XNTGKCDVZGEKDM-RTBURBONSA-N 2 1 404.986 3.377 20 0 HGADMP COc1ccc2c(cc[nH+]c2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164745612 720818629 /nfs/dbraw/zinc/81/86/29/720818629.db2.gz XFAYDYCHIPTMFT-TXTKFYIRSA-N 2 1 418.545 3.214 20 0 HGADMP COc1ccc2c(cc[nH+]c2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164745612 720818633 /nfs/dbraw/zinc/81/86/33/720818633.db2.gz XFAYDYCHIPTMFT-TXTKFYIRSA-N 2 1 418.545 3.214 20 0 HGADMP COc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]c2ccccc21 ZINC001164744683 720839588 /nfs/dbraw/zinc/83/95/88/720839588.db2.gz LDBRUSWCTTYLFM-CNNODRBYSA-N 2 1 418.545 3.214 20 0 HGADMP COc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]c2ccccc21 ZINC001164744683 720839589 /nfs/dbraw/zinc/83/95/89/720839589.db2.gz LDBRUSWCTTYLFM-CNNODRBYSA-N 2 1 418.545 3.214 20 0 HGADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4[nH+]cnc5c4ccn5C4CCCC4)C[C@H]3C2)cn1 ZINC001164771345 721144491 /nfs/dbraw/zinc/14/44/91/721144491.db2.gz SGJFEEGYZVNDSB-RTBURBONSA-N 2 1 405.550 3.238 20 0 HGADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4[nH+]cnc5c4ccn5C4CCCC4)C[C@H]3C2)cn1 ZINC001164771345 721144516 /nfs/dbraw/zinc/14/45/16/721144516.db2.gz SGJFEEGYZVNDSB-RTBURBONSA-N 2 1 405.550 3.238 20 0 HGADMP COCCn1ccc2c1nc[nH+]c2N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792007 721496467 /nfs/dbraw/zinc/49/64/67/721496467.db2.gz JHXNXCNPPOCATQ-UHFFFAOYSA-N 2 1 420.561 3.354 20 0 HGADMP COCCn1ccc2c1nc[nH+]c2N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792007 721496470 /nfs/dbraw/zinc/49/64/70/721496470.db2.gz JHXNXCNPPOCATQ-UHFFFAOYSA-N 2 1 420.561 3.354 20 0 HGADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc(C3CC[NH2+]CC3)n1)CC2 ZINC001164795429 721497707 /nfs/dbraw/zinc/49/77/07/721497707.db2.gz GRFSKHPJUZCYRV-UHFFFAOYSA-N 2 1 406.578 3.220 20 0 HGADMP CCOC(=O)Cc1ccnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164795729 721504030 /nfs/dbraw/zinc/50/40/30/721504030.db2.gz MPEHXTLCXAKSGS-UHFFFAOYSA-N 2 1 408.546 3.463 20 0 HGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)C[C@@H]21 ZINC001165028806 721820212 /nfs/dbraw/zinc/82/02/12/721820212.db2.gz XTHNWFGNVXTEFX-WTIAFYNJSA-N 3 1 420.605 3.141 20 0 HGADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cccc(N4CCC([NH3+])CC4)n3)C[C@@H]21 ZINC001165028806 721820215 /nfs/dbraw/zinc/82/02/15/721820215.db2.gz XTHNWFGNVXTEFX-WTIAFYNJSA-N 2 1 420.605 3.141 20 0 HGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cccc(N4CCC([NH3+])CC4)n3)C[C@@H]21 ZINC001165028806 721820216 /nfs/dbraw/zinc/82/02/16/721820216.db2.gz XTHNWFGNVXTEFX-WTIAFYNJSA-N 2 1 420.605 3.141 20 0 HGADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4nccc(C5CC[NH2+]CC5)n4)CC3)C2)cc1 ZINC001164939113 721929111 /nfs/dbraw/zinc/92/91/11/721929111.db2.gz JDFZXCASRIRZPC-UHFFFAOYSA-N 2 1 421.589 3.123 20 0 HGADMP C[N@@H+](Cc1ccc(N2CCC3(CC2)COCC[NH+](Cc2ccncc2)C3)nc1)C1CC1 ZINC001164963478 722060599 /nfs/dbraw/zinc/06/05/99/722060599.db2.gz ZTNVCPFBHBGIAP-UHFFFAOYSA-N 2 1 421.589 3.190 20 0 HGADMP C[NH+](Cc1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1)C1CC1 ZINC001164963478 722060602 /nfs/dbraw/zinc/06/06/02/722060602.db2.gz ZTNVCPFBHBGIAP-UHFFFAOYSA-N 2 1 421.589 3.190 20 0 HGADMP C[NH+](Cc1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1)C1CC1 ZINC001164963478 722060604 /nfs/dbraw/zinc/06/06/04/722060604.db2.gz ZTNVCPFBHBGIAP-UHFFFAOYSA-N 2 1 421.589 3.190 20 0 HGADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978884 722136604 /nfs/dbraw/zinc/13/66/04/722136604.db2.gz KHWUULDLYNDEBK-PZJWPPBQSA-N 2 1 406.534 3.135 20 0 HGADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978884 722136607 /nfs/dbraw/zinc/13/66/07/722136607.db2.gz KHWUULDLYNDEBK-PZJWPPBQSA-N 2 1 406.534 3.135 20 0 HGADMP C[NH+]1CCN(c2cccc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)n2)CC1 ZINC001164995941 722203571 /nfs/dbraw/zinc/20/35/71/722203571.db2.gz QEXBFAZPMFIGSE-DEOSSOPVSA-N 2 1 409.553 3.217 20 0 HGADMP CCN(C)c1cc(C)[nH+]c(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164709980 720093402 /nfs/dbraw/zinc/09/34/02/720093402.db2.gz DRISRFXXVHCRMF-NRFANRHFSA-N 2 1 424.593 3.144 20 0 HGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(C[NH+](C)C4CC4)cn3)CC[C@@H]21 ZINC001164842268 720618583 /nfs/dbraw/zinc/61/85/83/720618583.db2.gz VFPYNPKWBFYRFZ-PMVMPFDFSA-N 2 1 408.594 3.250 20 0 HGADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(C[N@H+](C)C4CC4)cn3)CC[C@@H]21 ZINC001164842268 720618601 /nfs/dbraw/zinc/61/86/01/720618601.db2.gz VFPYNPKWBFYRFZ-PMVMPFDFSA-N 2 1 408.594 3.250 20 0 HGADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC[C@@H]21 ZINC001164842268 720618614 /nfs/dbraw/zinc/61/86/14/720618614.db2.gz VFPYNPKWBFYRFZ-PMVMPFDFSA-N 2 1 408.594 3.250 20 0 HGADMP CCOC(=O)c1c[nH]c2cc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)[nH+]cc21 ZINC001164856358 720996934 /nfs/dbraw/zinc/99/69/34/720996934.db2.gz BWFHWKBSEBWUMP-HNNXBMFYSA-N 2 1 410.522 3.358 20 0 HGADMP CCOc1cc[nH+]c(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164777732 721349850 /nfs/dbraw/zinc/34/98/50/721349850.db2.gz HPQQSARCJACFNB-QFIPXVFZSA-N 2 1 400.523 3.204 20 0 HGADMP CCOc1cc[nH+]c(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164777732 721349855 /nfs/dbraw/zinc/34/98/55/721349855.db2.gz HPQQSARCJACFNB-QFIPXVFZSA-N 2 1 400.523 3.204 20 0 HGADMP C[NH+](C)Cc1ccnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164909683 721730283 /nfs/dbraw/zinc/73/02/83/721730283.db2.gz CXMRADCKPVUUFI-NRFANRHFSA-N 2 1 401.505 3.276 20 0 HGADMP COc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]c2ccccc21 ZINC001164984644 722132158 /nfs/dbraw/zinc/13/21/58/722132158.db2.gz YEWRKXCHLXULCP-CVDCTZTESA-N 2 1 404.514 3.366 20 0 HGADMP COc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]c2ccccc21 ZINC001164984644 722132163 /nfs/dbraw/zinc/13/21/63/722132163.db2.gz YEWRKXCHLXULCP-CVDCTZTESA-N 2 1 404.514 3.366 20 0 HGADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)c2c1C ZINC001164408974 718864153 /nfs/dbraw/zinc/86/41/53/718864153.db2.gz OHSUNBDSYZVVPH-MSOLQXFVSA-N 2 1 415.607 3.109 20 0 HGADMP Cc1ccc(-c2nc3c(ncnc3-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)o2)cc1 ZINC001164679444 719640964 /nfs/dbraw/zinc/64/09/64/719640964.db2.gz APSYAWFHBKRBHF-UHFFFAOYSA-N 2 1 417.517 3.265 20 0 HGADMP Cc1ccc(-c2nc3c(ncnc3-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)o2)cc1 ZINC001164679444 719640977 /nfs/dbraw/zinc/64/09/77/719640977.db2.gz APSYAWFHBKRBHF-UHFFFAOYSA-N 2 1 417.517 3.265 20 0 HGADMP CNC(=O)C[N@H+]1CCCC12CCN(c1[nH+]c(N3CCCC3)cc3ccccc31)CC2 ZINC001164690060 719745541 /nfs/dbraw/zinc/74/55/41/719745541.db2.gz RRWBPECAPHSULV-UHFFFAOYSA-N 2 1 407.562 3.016 20 0 HGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCC[NH+]3CC(=O)NC)CC2)nc1 ZINC001164689809 719752889 /nfs/dbraw/zinc/75/28/89/719752889.db2.gz KAIBOTLBJWRIFB-NRFANRHFSA-N 2 1 413.610 3.199 20 0 HGADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)nc1 ZINC001164689809 719752893 /nfs/dbraw/zinc/75/28/93/719752893.db2.gz KAIBOTLBJWRIFB-NRFANRHFSA-N 2 1 413.610 3.199 20 0 HGADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)nc1 ZINC001164689809 719752901 /nfs/dbraw/zinc/75/29/01/719752901.db2.gz KAIBOTLBJWRIFB-NRFANRHFSA-N 2 1 413.610 3.199 20 0 HGADMP Cc1cc(N2CCCC2)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)[nH+]1 ZINC001164698338 719885997 /nfs/dbraw/zinc/88/59/97/719885997.db2.gz FNELYCCWLXYUBM-UHFFFAOYSA-N 2 1 413.591 3.318 20 0 HGADMP COCc1nn(-c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)c2c1C[NH2+]C2 ZINC001164710934 720078882 /nfs/dbraw/zinc/07/88/82/720078882.db2.gz KRPIVJCEZUSUDV-UHFFFAOYSA-N 2 1 424.574 3.101 20 0 HGADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C[NH+](C)C)ccn1)CC2 ZINC001164712627 720150193 /nfs/dbraw/zinc/15/01/93/720150193.db2.gz NWRURHBULMZKEZ-JOCHJYFZSA-N 2 1 409.578 3.046 20 0 HGADMP COc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]c2ccccc21 ZINC001164833008 720330287 /nfs/dbraw/zinc/33/02/87/720330287.db2.gz VKSQHCLDNOTZQZ-SFTDATJTSA-N 2 1 408.546 3.155 20 0 HGADMP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C1 ZINC001164729851 720511254 /nfs/dbraw/zinc/51/12/54/720511254.db2.gz JQSJJRSENXIJSR-OAQYLSRUSA-N 2 1 416.573 3.034 20 0 HGADMP Cc1ccc2c(C)cc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)[nH+]c2c1C ZINC001164753454 720965069 /nfs/dbraw/zinc/96/50/69/720965069.db2.gz FYDVKGFXCCMTJA-UHFFFAOYSA-N 2 1 407.518 3.002 20 0 HGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)[C@H]2C ZINC001164861014 721016490 /nfs/dbraw/zinc/01/64/90/721016490.db2.gz MRPXCYZBRBFJMO-SFHVURJKSA-N 3 1 412.582 3.173 20 0 HGADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)[C@H]2C ZINC001164861014 721016498 /nfs/dbraw/zinc/01/64/98/721016498.db2.gz MRPXCYZBRBFJMO-SFHVURJKSA-N 2 1 412.582 3.173 20 0 HGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)[C@H]2C ZINC001164861014 721016507 /nfs/dbraw/zinc/01/65/07/721016507.db2.gz MRPXCYZBRBFJMO-SFHVURJKSA-N 2 1 412.582 3.173 20 0 HGADMP CCc1nc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)cc(C)[nH+]1 ZINC001164791333 721467395 /nfs/dbraw/zinc/46/73/95/721467395.db2.gz XDANIAGEGBEWDS-HXUWFJFHSA-N 2 1 402.583 3.081 20 0 HGADMP CCc1nc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)cc(C)[nH+]1 ZINC001164791333 721467396 /nfs/dbraw/zinc/46/73/96/721467396.db2.gz XDANIAGEGBEWDS-HXUWFJFHSA-N 2 1 402.583 3.081 20 0 HGADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)CC2 ZINC001164795437 721498422 /nfs/dbraw/zinc/49/84/22/721498422.db2.gz GZWVIRJKZXCFBA-UHFFFAOYSA-N 3 1 420.605 3.285 20 0 HGADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164795437 721498425 /nfs/dbraw/zinc/49/84/25/721498425.db2.gz GZWVIRJKZXCFBA-UHFFFAOYSA-N 2 1 420.605 3.285 20 0 HGADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164795437 721498429 /nfs/dbraw/zinc/49/84/29/721498429.db2.gz GZWVIRJKZXCFBA-UHFFFAOYSA-N 2 1 420.605 3.285 20 0 HGADMP Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(Cl)nc4c2C[NH2+]CC4)C3)c1 ZINC001164995305 722191836 /nfs/dbraw/zinc/19/18/36/722191836.db2.gz UGAUZPTUYKXOGO-NRFANRHFSA-N 2 1 401.917 3.160 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)nc2Cl)c2c1CC[NH2+]C2 ZINC001164684281 719603582 /nfs/dbraw/zinc/60/35/82/719603582.db2.gz ODIZQJCCIZMANU-UHFFFAOYSA-N 2 1 405.280 3.063 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)nc2Cl)c2c1CC[NH2+]C2 ZINC001164684281 719603588 /nfs/dbraw/zinc/60/35/88/719603588.db2.gz ODIZQJCCIZMANU-UHFFFAOYSA-N 2 1 405.280 3.063 20 0 HGADMP CCOc1ccc(-c2ccc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nn2)cc1 ZINC001164679570 719646082 /nfs/dbraw/zinc/64/60/82/719646082.db2.gz HGRRCMXUJDMEDX-UHFFFAOYSA-N 2 1 406.534 3.214 20 0 HGADMP CCOc1ccc(-c2ccc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nn2)cc1 ZINC001164679570 719646086 /nfs/dbraw/zinc/64/60/86/719646086.db2.gz HGRRCMXUJDMEDX-UHFFFAOYSA-N 2 1 406.534 3.214 20 0 HGADMP CCN(c1ccccc1)c1cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)ncn1 ZINC001164679474 719647110 /nfs/dbraw/zinc/64/71/10/719647110.db2.gz BURGHJFFDHWDBP-UHFFFAOYSA-N 2 1 405.550 3.306 20 0 HGADMP CCN(c1ccccc1)c1cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)ncn1 ZINC001164679474 719647114 /nfs/dbraw/zinc/64/71/14/719647114.db2.gz BURGHJFFDHWDBP-UHFFFAOYSA-N 2 1 405.550 3.306 20 0 HGADMP Cc1nc(C[N@H+]2CCCC23CCN(c2nccc(C4CC[NH2+]CC4)n2)CC3)cs1 ZINC001164692272 719812160 /nfs/dbraw/zinc/81/21/60/719812160.db2.gz PDOSDHSRGGDVKH-UHFFFAOYSA-N 2 1 412.607 3.344 20 0 HGADMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3[nH]c(C)cc31)CC2 ZINC001164716231 720109065 /nfs/dbraw/zinc/10/90/65/720109065.db2.gz JLSVBWNZDZRCTC-LJQANCHMSA-N 2 1 406.534 3.169 20 0 HGADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3[nH]c(C)cc31)CC2 ZINC001164716231 720109072 /nfs/dbraw/zinc/10/90/72/720109072.db2.gz JLSVBWNZDZRCTC-LJQANCHMSA-N 2 1 406.534 3.169 20 0 HGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)CC[C@@H]21 ZINC001164843553 720599713 /nfs/dbraw/zinc/59/97/13/720599713.db2.gz XYJSYKWBMWNGBN-VABKMULXSA-N 2 1 408.594 3.252 20 0 HGADMP CN(C)c1cc[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164755956 720888385 /nfs/dbraw/zinc/88/83/85/720888385.db2.gz NSRPUWMCIQPZHG-RCZVLFRGSA-N 2 1 421.589 3.298 20 0 HGADMP CCOc1cc[nH+]c(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164777728 721349749 /nfs/dbraw/zinc/34/97/49/721349749.db2.gz HPQQSARCJACFNB-JOCHJYFZSA-N 2 1 400.523 3.204 20 0 HGADMP CCOc1cc[nH+]c(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164777728 721349752 /nfs/dbraw/zinc/34/97/52/721349752.db2.gz HPQQSARCJACFNB-JOCHJYFZSA-N 2 1 400.523 3.204 20 0 HGADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978882 722136439 /nfs/dbraw/zinc/13/64/39/722136439.db2.gz KHWUULDLYNDEBK-CTNGQTDRSA-N 2 1 406.534 3.135 20 0 HGADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978882 722136441 /nfs/dbraw/zinc/13/64/41/722136441.db2.gz KHWUULDLYNDEBK-CTNGQTDRSA-N 2 1 406.534 3.135 20 0 HGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)c2c1C ZINC001164625819 719122394 /nfs/dbraw/zinc/12/23/94/719122394.db2.gz YZYVTIBUGVWPJQ-HOTGVXAUSA-N 2 1 403.571 3.417 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3ccccn3)nc3ccccc32)c2c1CC[NH2+]C2 ZINC001164680550 719638091 /nfs/dbraw/zinc/63/80/91/719638091.db2.gz VRZXXMBKOTUQGJ-UHFFFAOYSA-N 2 1 413.529 3.363 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3ccccn3)nc3ccccc32)c2c1CC[NH2+]C2 ZINC001164680550 719638098 /nfs/dbraw/zinc/63/80/98/719638098.db2.gz VRZXXMBKOTUQGJ-UHFFFAOYSA-N 2 1 413.529 3.363 20 0 HGADMP Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc4c2C[NH2+]CC4)CC3)cs1 ZINC001164691116 719803115 /nfs/dbraw/zinc/80/31/15/719803115.db2.gz DSQXWUOEKIMXJH-UHFFFAOYSA-N 2 1 418.998 3.176 20 0 HGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3cc(OC)c(OC)cc31)C2 ZINC001164807062 720122644 /nfs/dbraw/zinc/12/26/44/720122644.db2.gz BHCUYVAMZVLHNF-CYFREDJKSA-N 2 1 411.546 3.437 20 0 HGADMP COc1ccc2c[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc2c1 ZINC001164741908 720839698 /nfs/dbraw/zinc/83/96/98/720839698.db2.gz FVJMECHVQATDTJ-QZNHQXDQSA-N 2 1 418.545 3.214 20 0 HGADMP COc1ccc2c[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc2c1 ZINC001164741908 720839699 /nfs/dbraw/zinc/83/96/99/720839699.db2.gz FVJMECHVQATDTJ-QZNHQXDQSA-N 2 1 418.545 3.214 20 0 HGADMP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]ccc4c3ccn4Cc3ccccc3)CC[C@H]2C1 ZINC001164860626 720861083 /nfs/dbraw/zinc/86/10/83/720861083.db2.gz WKODVAPOKYESEY-URXFXBBRSA-N 2 1 420.557 3.258 20 0 HGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1 ZINC001164759537 721234328 /nfs/dbraw/zinc/23/43/28/721234328.db2.gz ASUMJVLZJPPHLD-XPWALMASSA-N 2 1 408.594 3.320 20 0 HGADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1 ZINC001164759537 721234329 /nfs/dbraw/zinc/23/43/29/721234329.db2.gz ASUMJVLZJPPHLD-XPWALMASSA-N 2 1 408.594 3.320 20 0 HGADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1 ZINC001164759537 721234332 /nfs/dbraw/zinc/23/43/32/721234332.db2.gz ASUMJVLZJPPHLD-XPWALMASSA-N 2 1 408.594 3.320 20 0 HGADMP CCc1cc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc(C)[nH+]1 ZINC001164787797 721462842 /nfs/dbraw/zinc/46/28/42/721462842.db2.gz SKMVMLKMJNPCFP-NRFANRHFSA-N 2 1 402.583 3.081 20 0 HGADMP CCc1cc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nc(C)[nH+]1 ZINC001164787797 721462843 /nfs/dbraw/zinc/46/28/43/721462843.db2.gz SKMVMLKMJNPCFP-NRFANRHFSA-N 2 1 402.583 3.081 20 0 HGADMP CCc1cc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc(C)[nH+]1 ZINC001164787812 721462850 /nfs/dbraw/zinc/46/28/50/721462850.db2.gz SKMVMLKMJNPCFP-OAQYLSRUSA-N 2 1 402.583 3.081 20 0 HGADMP CCc1cc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nc(C)[nH+]1 ZINC001164787812 721462853 /nfs/dbraw/zinc/46/28/53/721462853.db2.gz SKMVMLKMJNPCFP-OAQYLSRUSA-N 2 1 402.583 3.081 20 0 HGADMP CCN(C)c1cc(C)[nH+]c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164902217 721582780 /nfs/dbraw/zinc/58/27/80/721582780.db2.gz DEOCWQMMILXQNE-OAQYLSRUSA-N 2 1 416.520 3.374 20 0 HGADMP CCOC(=O)Cc1ccnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165019705 721831425 /nfs/dbraw/zinc/83/14/25/721831425.db2.gz BHNAZBDZCGCNPR-NNWRFLSQSA-N 2 1 408.546 3.319 20 0 HGADMP c1cc(C[N@H+]2CCOCC3(CCN(c4cc(N5CCCC5)cc[nH+]4)CC3)C2)ccn1 ZINC001164963265 722057829 /nfs/dbraw/zinc/05/78/29/722057829.db2.gz UXQSKJUPJSTAKP-UHFFFAOYSA-N 2 1 407.562 3.196 20 0 HGADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c2c1C ZINC001164408976 718864448 /nfs/dbraw/zinc/86/44/48/718864448.db2.gz OHSUNBDSYZVVPH-QZTJIDSGSA-N 2 1 415.607 3.109 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)nc3c(Cl)nccc32)c2c1CC[NH2+]C2 ZINC001164679535 719636510 /nfs/dbraw/zinc/63/65/10/719636510.db2.gz FSJDWMJJTYTTFV-UHFFFAOYSA-N 2 1 406.321 3.003 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)nc3c(Cl)nccc32)c2c1CC[NH2+]C2 ZINC001164679535 719636516 /nfs/dbraw/zinc/63/65/16/719636516.db2.gz FSJDWMJJTYTTFV-UHFFFAOYSA-N 2 1 406.321 3.003 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(-c2ccnc(CSc3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164681365 719650172 /nfs/dbraw/zinc/65/01/72/719650172.db2.gz MMWVMOWKEFRMIZ-UHFFFAOYSA-N 2 1 408.575 3.441 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(-c2ccnc(CSc3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164681365 719650184 /nfs/dbraw/zinc/65/01/84/719650184.db2.gz MMWVMOWKEFRMIZ-UHFFFAOYSA-N 2 1 408.575 3.441 20 0 HGADMP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C1 ZINC001164729849 720511452 /nfs/dbraw/zinc/51/14/52/720511452.db2.gz JQSJJRSENXIJSR-NRFANRHFSA-N 2 1 416.573 3.034 20 0 HGADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(C[NH+](C)C4CC4)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842266 720619378 /nfs/dbraw/zinc/61/93/78/720619378.db2.gz VFPYNPKWBFYRFZ-ACIOBRDBSA-N 2 1 408.594 3.250 20 0 HGADMP CC(C)[NH+]1[C@@H]2CCN(c3ccc(C[N@H+](C)C4CC4)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842266 720619386 /nfs/dbraw/zinc/61/93/86/720619386.db2.gz VFPYNPKWBFYRFZ-ACIOBRDBSA-N 2 1 408.594 3.250 20 0 HGADMP CC(C)[NH+]1[C@@H]2CCN(c3ccc(C[N@@H+](C)C4CC4)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842266 720619396 /nfs/dbraw/zinc/61/93/96/720619396.db2.gz VFPYNPKWBFYRFZ-ACIOBRDBSA-N 2 1 408.594 3.250 20 0 HGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164748887 720801042 /nfs/dbraw/zinc/80/10/42/720801042.db2.gz RUYNBGPMGOLZER-QNWVGRARSA-N 2 1 422.577 3.151 20 0 HGADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164748887 720801044 /nfs/dbraw/zinc/80/10/44/720801044.db2.gz RUYNBGPMGOLZER-QNWVGRARSA-N 2 1 422.577 3.151 20 0 HGADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164748887 720801045 /nfs/dbraw/zinc/80/10/45/720801045.db2.gz RUYNBGPMGOLZER-QNWVGRARSA-N 2 1 422.577 3.151 20 0 HGADMP COc1ccc2c(cc[nH+]c2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164745613 720818443 /nfs/dbraw/zinc/81/84/43/720818443.db2.gz XFAYDYCHIPTMFT-ZRCGQRJVSA-N 2 1 418.545 3.214 20 0 HGADMP COc1ccc2c(cc[nH+]c2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164745613 720818445 /nfs/dbraw/zinc/81/84/45/720818445.db2.gz XFAYDYCHIPTMFT-ZRCGQRJVSA-N 2 1 418.545 3.214 20 0 HGADMP Cc1c[nH+]c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(N)c1 ZINC001164756246 720901416 /nfs/dbraw/zinc/90/14/16/720901416.db2.gz OQXLCIBVDRHFDC-ZJSXRUAMSA-N 2 1 407.562 3.122 20 0 HGADMP Cc1c[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(N)c1 ZINC001164756246 720901424 /nfs/dbraw/zinc/90/14/24/720901424.db2.gz OQXLCIBVDRHFDC-ZJSXRUAMSA-N 2 1 407.562 3.122 20 0 HGADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978885 722136480 /nfs/dbraw/zinc/13/64/80/722136480.db2.gz KHWUULDLYNDEBK-TZIWHRDSSA-N 2 1 406.534 3.135 20 0 HGADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978885 722136482 /nfs/dbraw/zinc/13/64/82/722136482.db2.gz KHWUULDLYNDEBK-TZIWHRDSSA-N 2 1 406.534 3.135 20 0 HGADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@H]4C[NH2+]CC[C@H]4C3)c2c1C ZINC001164408978 718864323 /nfs/dbraw/zinc/86/43/23/718864323.db2.gz OHSUNBDSYZVVPH-ROUUACIJSA-N 2 1 415.607 3.109 20 0 HGADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCO[C@H]3C[NH2+]CC[C@@H]3C2)n1 ZINC001164405567 718864753 /nfs/dbraw/zinc/86/47/53/718864753.db2.gz FELPSQNJQVBYPG-MJGOQNOKSA-N 2 1 423.586 3.235 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(-c2ncc(C(=O)OC(C)(C)C)cc2Cl)c2c1CC[NH2+]C2 ZINC001164679805 719649219 /nfs/dbraw/zinc/64/92/19/719649219.db2.gz NVBJCXGGPZFXEW-UHFFFAOYSA-N 2 1 419.957 3.362 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(-c2ncc(C(=O)OC(C)(C)C)cc2Cl)c2c1CC[NH2+]C2 ZINC001164679805 719649227 /nfs/dbraw/zinc/64/92/27/719649227.db2.gz NVBJCXGGPZFXEW-UHFFFAOYSA-N 2 1 419.957 3.362 20 0 HGADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C[NH+](C)C)ccn1)CC2 ZINC001164712630 720150700 /nfs/dbraw/zinc/15/07/00/720150700.db2.gz NWRURHBULMZKEZ-QFIPXVFZSA-N 2 1 409.578 3.046 20 0 HGADMP COc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]c2ccccc21 ZINC001164833005 720330178 /nfs/dbraw/zinc/33/01/78/720330178.db2.gz VKSQHCLDNOTZQZ-LEWJYISDSA-N 2 1 408.546 3.155 20 0 HGADMP COc1ccc2c(cc[nH+]c2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164745610 720818579 /nfs/dbraw/zinc/81/85/79/720818579.db2.gz XFAYDYCHIPTMFT-MIZPHKNDSA-N 2 1 418.545 3.214 20 0 HGADMP COc1ccc2c(cc[nH+]c2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164745610 720818582 /nfs/dbraw/zinc/81/85/82/720818582.db2.gz XFAYDYCHIPTMFT-MIZPHKNDSA-N 2 1 418.545 3.214 20 0 HGADMP Cc1c[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc1N ZINC001164752880 720907567 /nfs/dbraw/zinc/90/75/67/720907567.db2.gz PFOGAWNUBYFKRL-ZJSXRUAMSA-N 2 1 407.562 3.122 20 0 HGADMP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(Cl)nc4c2CC[NH2+]C4)C3)c1 ZINC001164993652 722194268 /nfs/dbraw/zinc/19/42/68/722194268.db2.gz GTQYALCZVFSHBM-OAQYLSRUSA-N 2 1 401.917 3.160 20 0 HGADMP O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C(F)(F)F ZINC001473751357 1126198962 /nfs/dbraw/zinc/19/89/62/1126198962.db2.gz UCBGRZVZHYRQIV-RTWAWAEBSA-N 2 1 408.464 3.143 20 0 HGADMP COc1ccc(Oc2cc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nc(C)n2)cc1 ZINC001164680546 719647838 /nfs/dbraw/zinc/64/78/38/719647838.db2.gz VMGDHFHFVKTLQS-UHFFFAOYSA-N 2 1 422.533 3.258 20 0 HGADMP COc1ccc(Oc2cc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nc(C)n2)cc1 ZINC001164680546 719647844 /nfs/dbraw/zinc/64/78/44/719647844.db2.gz VMGDHFHFVKTLQS-UHFFFAOYSA-N 2 1 422.533 3.258 20 0 HGADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3c1ccn3C)CC2 ZINC001164719102 720106327 /nfs/dbraw/zinc/10/63/27/720106327.db2.gz WBDKEYDQNQXMAI-FQEVSTJZSA-N 2 1 405.546 3.476 20 0 HGADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CC[N@@H+]3C(C)(C)c2ccnc(Cl)c2)CC1 ZINC001164830862 720355176 /nfs/dbraw/zinc/35/51/76/720355176.db2.gz XNTGKCDVZGEKDM-OALUTQOASA-N 2 1 404.986 3.377 20 0 HGADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc[nH+]c(N4CCCCC4)n3)CC[C@@H]21 ZINC001164844152 720597840 /nfs/dbraw/zinc/59/78/40/720597840.db2.gz ZHHFYLNMTOMTQA-ACRUOGEOSA-N 2 1 409.582 3.041 20 0 HGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc[nH+]c(N4CCCCC4)n3)CC[C@@H]21 ZINC001164844152 720597842 /nfs/dbraw/zinc/59/78/42/720597842.db2.gz ZHHFYLNMTOMTQA-ACRUOGEOSA-N 2 1 409.582 3.041 20 0 HGADMP COc1cc[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164749061 720871886 /nfs/dbraw/zinc/87/18/86/720871886.db2.gz GPFQZWNBRLGFGJ-ZJSXRUAMSA-N 2 1 408.546 3.240 20 0 HGADMP COc1cc[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164749059 720871913 /nfs/dbraw/zinc/87/19/13/720871913.db2.gz GPFQZWNBRLGFGJ-XUZZJYLKSA-N 2 1 408.546 3.240 20 0 HGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)[C@H]2C ZINC001164857954 720944872 /nfs/dbraw/zinc/94/48/72/720944872.db2.gz ILMXXDOLQOJCIB-HNNXBMFYSA-N 2 1 417.989 3.215 20 0 HGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cccc(OCC[NH+]3CCCC3)n1)[C@H]2C ZINC001164860366 720991433 /nfs/dbraw/zinc/99/14/33/720991433.db2.gz NCRMJUFXVZKZGK-IBGZPJMESA-N 2 1 412.582 3.174 20 0 HGADMP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)C[C@@H]3C2)cn1 ZINC001164774141 721148586 /nfs/dbraw/zinc/14/85/86/721148586.db2.gz ZVHCAJQUQYXCQS-ICSRJNTNSA-N 2 1 414.985 3.023 20 0 HGADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)C[C@@H]3C2)cn1 ZINC001164774141 721148594 /nfs/dbraw/zinc/14/85/94/721148594.db2.gz ZVHCAJQUQYXCQS-ICSRJNTNSA-N 2 1 414.985 3.023 20 0 HGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc(C4CC[NH2+]CC4)n3)C[C@@H]21 ZINC001165029654 721818919 /nfs/dbraw/zinc/81/89/19/721818919.db2.gz ZXNDNMYJDZXBQD-UNWVZKJWSA-N 2 1 406.578 3.076 20 0 HGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(N4CCOCC4)[nH+]3)C[C@@H]21 ZINC001165027622 721819416 /nfs/dbraw/zinc/81/94/16/721819416.db2.gz VJSBQMFOYPUGGD-ILWGZMRPSA-N 2 1 407.562 3.050 20 0 HGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cccc(N4CCOCC4)[nH+]3)C[C@@H]21 ZINC001165027620 721819451 /nfs/dbraw/zinc/81/94/51/721819451.db2.gz VJSBQMFOYPUGGD-BAGYTPMASA-N 2 1 407.562 3.050 20 0 HGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(N4CCOCC4)[nH+]3)C[C@H]21 ZINC001165027623 721819574 /nfs/dbraw/zinc/81/95/74/721819574.db2.gz VJSBQMFOYPUGGD-KSEOMHKRSA-N 2 1 407.562 3.050 20 0 HGADMP c1cncc(C[N@@H+]2CCC3(C2)CCN(c2cccc(OCC[NH+]4CCCC4)n2)CC3)c1 ZINC001164956119 722020486 /nfs/dbraw/zinc/02/04/86/722020486.db2.gz WQZQDIYNOMIART-UHFFFAOYSA-N 2 1 421.589 3.444 20 0 HGADMP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2)CC1 ZINC001164960568 722024029 /nfs/dbraw/zinc/02/40/29/722024029.db2.gz KSRRAKYMLUEPKE-UHFFFAOYSA-N 3 1 421.589 3.442 20 0 HGADMP C[NH+]1CCC(Oc2ccnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2)CC1 ZINC001164960568 722024031 /nfs/dbraw/zinc/02/40/31/722024031.db2.gz KSRRAKYMLUEPKE-UHFFFAOYSA-N 2 1 421.589 3.442 20 0 HGADMP C[NH+]1CCC(Oc2ccnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2)CC1 ZINC001164960568 722024032 /nfs/dbraw/zinc/02/40/32/722024032.db2.gz KSRRAKYMLUEPKE-UHFFFAOYSA-N 2 1 421.589 3.442 20 0 HGADMP COc1ccc2c[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cc2c1 ZINC001164980963 722132052 /nfs/dbraw/zinc/13/20/52/722132052.db2.gz OGLNRLBBEMEMMR-NZQKXSOJSA-N 2 1 404.514 3.366 20 0 HGADMP COc1ccc2c[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)cc2c1 ZINC001164980963 722132053 /nfs/dbraw/zinc/13/20/53/722132053.db2.gz OGLNRLBBEMEMMR-NZQKXSOJSA-N 2 1 404.514 3.366 20 0 HGADMP Cc1cc[nH+]c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164680962 719653828 /nfs/dbraw/zinc/65/38/28/719653828.db2.gz JZLIIAWNWKXQIW-HXUWFJFHSA-N 2 1 406.574 3.483 20 0 HGADMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3[nH]c(C)cc31)CC2 ZINC001164716226 720109761 /nfs/dbraw/zinc/10/97/61/720109761.db2.gz JLSVBWNZDZRCTC-IBGZPJMESA-N 2 1 406.534 3.169 20 0 HGADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3[nH]c(C)cc31)CC2 ZINC001164716226 720109770 /nfs/dbraw/zinc/10/97/70/720109770.db2.gz JLSVBWNZDZRCTC-IBGZPJMESA-N 2 1 406.534 3.169 20 0 HGADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(-n3ccnc3)cc[nH+]1)CC2 ZINC001164712247 720149580 /nfs/dbraw/zinc/14/95/80/720149580.db2.gz LSNAPZAIZSZTDN-QFIPXVFZSA-N 2 1 418.545 3.170 20 0 HGADMP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc3cc(OC)c(OC)cc3c[nH+]1)C2 ZINC001164818875 720177351 /nfs/dbraw/zinc/17/73/51/720177351.db2.gz VEDDOQHULFCSKO-YKSBVNFPSA-N 2 1 411.546 3.437 20 0 HGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc3cc(OC)c(OC)cc3c[nH+]1)C2 ZINC001164818875 720177368 /nfs/dbraw/zinc/17/73/68/720177368.db2.gz VEDDOQHULFCSKO-YKSBVNFPSA-N 2 1 411.546 3.437 20 0 HGADMP COc1ccc2c[nH+]c(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)cc2c1 ZINC001164831991 720330031 /nfs/dbraw/zinc/33/00/31/720330031.db2.gz SRJLNKFCZQKADI-FCHUYYIVSA-N 2 1 408.546 3.155 20 0 HGADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(N3CCCC3)cc[nH+]1)CC2 ZINC001164840384 720655114 /nfs/dbraw/zinc/65/51/14/720655114.db2.gz MAUZADQJYJJLFZ-OAQYLSRUSA-N 2 1 407.562 3.337 20 0 HGADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(N3CCCC3)cc[nH+]1)CC2 ZINC001164840384 720655135 /nfs/dbraw/zinc/65/51/35/720655135.db2.gz MAUZADQJYJJLFZ-OAQYLSRUSA-N 2 1 407.562 3.337 20 0 HGADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc(C3CC[NH2+]CC3)n1)CC2 ZINC001164841001 720703255 /nfs/dbraw/zinc/70/32/55/720703255.db2.gz UHSFIZMDHUQSNE-JOCHJYFZSA-N 2 1 421.589 3.204 20 0 HGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164748881 720800740 /nfs/dbraw/zinc/80/07/40/720800740.db2.gz RUYNBGPMGOLZER-MQSCRBSSSA-N 2 1 422.577 3.151 20 0 HGADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164748881 720800741 /nfs/dbraw/zinc/80/07/41/720800741.db2.gz RUYNBGPMGOLZER-MQSCRBSSSA-N 2 1 422.577 3.151 20 0 HGADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164748881 720800744 /nfs/dbraw/zinc/80/07/44/720800744.db2.gz RUYNBGPMGOLZER-MQSCRBSSSA-N 2 1 422.577 3.151 20 0 HGADMP COc1ccc2c[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc2c1 ZINC001164741905 720839727 /nfs/dbraw/zinc/83/97/27/720839727.db2.gz FVJMECHVQATDTJ-QNWVGRARSA-N 2 1 418.545 3.214 20 0 HGADMP COc1ccc2c[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc2c1 ZINC001164741905 720839729 /nfs/dbraw/zinc/83/97/29/720839729.db2.gz FVJMECHVQATDTJ-QNWVGRARSA-N 2 1 418.545 3.214 20 0 HGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[NH+](CCOC)CCO[C@@H]3C2)nc1 ZINC001164864996 720887221 /nfs/dbraw/zinc/88/72/21/720887221.db2.gz XTBAGIPVKJHEOS-DNVJHFABSA-N 2 1 416.610 3.192 20 0 HGADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)nc1 ZINC001164864996 720887226 /nfs/dbraw/zinc/88/72/26/720887226.db2.gz XTBAGIPVKJHEOS-DNVJHFABSA-N 2 1 416.610 3.192 20 0 HGADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)nc1 ZINC001164864996 720887227 /nfs/dbraw/zinc/88/72/27/720887227.db2.gz XTBAGIPVKJHEOS-DNVJHFABSA-N 2 1 416.610 3.192 20 0 HGADMP CN(C)c1cc[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164755958 720888531 /nfs/dbraw/zinc/88/85/31/720888531.db2.gz NSRPUWMCIQPZHG-WIOPSUGQSA-N 2 1 421.589 3.298 20 0 HGADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc(C3CC[NH2+]CC3)n1)C2 ZINC001164909621 721758528 /nfs/dbraw/zinc/75/85/28/721758528.db2.gz KBZXPCMDQWMEAD-UHFFFAOYSA-N 2 1 418.545 3.126 20 0 HGADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc(C3CC[NH2+]CC3)n1)C2 ZINC001164909621 721758532 /nfs/dbraw/zinc/75/85/32/721758532.db2.gz KBZXPCMDQWMEAD-UHFFFAOYSA-N 2 1 418.545 3.126 20 0 HGADMP Cc1nc2c(n1-c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)CC[NH2+]CC2 ZINC001164427427 718949532 /nfs/dbraw/zinc/94/95/32/718949532.db2.gz CMSCLLAJGRTTNZ-UHFFFAOYSA-N 2 1 422.602 3.348 20 0 HGADMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3[nH]cc(C)c31)CC2 ZINC001164710024 720093187 /nfs/dbraw/zinc/09/31/87/720093187.db2.gz FQTXASCLBOPQCU-LJQANCHMSA-N 2 1 406.534 3.169 20 0 HGADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3[nH]cc(C)c31)CC2 ZINC001164710024 720093190 /nfs/dbraw/zinc/09/31/90/720093190.db2.gz FQTXASCLBOPQCU-LJQANCHMSA-N 2 1 406.534 3.169 20 0 HGADMP COc1ccc2c(C)cc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)[nH+]c2c1 ZINC001164828450 720326615 /nfs/dbraw/zinc/32/66/15/720326615.db2.gz JNCHTHOHWLAHDS-GOTSBHOMSA-N 2 1 422.573 3.463 20 0 HGADMP COc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]c2ccccc21 ZINC001164833006 720330007 /nfs/dbraw/zinc/33/00/07/720330007.db2.gz VKSQHCLDNOTZQZ-NHCUHLMSSA-N 2 1 408.546 3.155 20 0 HGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cccc(OCC[NH+]3CCCC3)n1)[C@@H]2C ZINC001164860367 720990132 /nfs/dbraw/zinc/99/01/32/720990132.db2.gz NCRMJUFXVZKZGK-LJQANCHMSA-N 2 1 412.582 3.174 20 0 HGADMP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3[nH+]cc(Cn4cccn4)n3CC2)nc1 ZINC001164862013 721033569 /nfs/dbraw/zinc/03/35/69/721033569.db2.gz JXOGISVSEKZXBF-NRFANRHFSA-N 2 1 405.550 3.133 20 0 HGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3[nH+]cc(Cn4cccn4)n3CC2)nc1 ZINC001164862013 721033573 /nfs/dbraw/zinc/03/35/73/721033573.db2.gz JXOGISVSEKZXBF-NRFANRHFSA-N 2 1 405.550 3.133 20 0 HGADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cccc(N3CCOCC3)[nH+]1)CC2 ZINC001164796266 721498670 /nfs/dbraw/zinc/49/86/70/721498670.db2.gz OYNBPMYUQUFFRV-UHFFFAOYSA-N 2 1 407.562 3.194 20 0 HGADMP COc1ccc2c[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cc2c1 ZINC001164980965 722132420 /nfs/dbraw/zinc/13/24/20/722132420.db2.gz OGLNRLBBEMEMMR-OFNKIYASSA-N 2 1 404.514 3.366 20 0 HGADMP COc1ccc2c[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)cc2c1 ZINC001164980965 722132424 /nfs/dbraw/zinc/13/24/24/722132424.db2.gz OGLNRLBBEMEMMR-OFNKIYASSA-N 2 1 404.514 3.366 20 0 HGADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978883 722136771 /nfs/dbraw/zinc/13/67/71/722136771.db2.gz KHWUULDLYNDEBK-FPOVZHCZSA-N 2 1 406.534 3.135 20 0 HGADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978883 722136774 /nfs/dbraw/zinc/13/67/74/722136774.db2.gz KHWUULDLYNDEBK-FPOVZHCZSA-N 2 1 406.534 3.135 20 0 HGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)c2c1C ZINC001164625817 719122304 /nfs/dbraw/zinc/12/23/04/719122304.db2.gz YZYVTIBUGVWPJQ-CVEARBPZSA-N 2 1 403.571 3.417 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2nc(Cl)ncc2Cl)c2c1CC[NH2+]C2 ZINC001164685036 719612892 /nfs/dbraw/zinc/61/28/92/719612892.db2.gz QFYHBEPIHHAHGU-UHFFFAOYSA-N 2 1 405.280 3.063 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2nc(Cl)ncc2Cl)c2c1CC[NH2+]C2 ZINC001164685036 719612902 /nfs/dbraw/zinc/61/29/02/719612902.db2.gz QFYHBEPIHHAHGU-UHFFFAOYSA-N 2 1 405.280 3.063 20 0 HGADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc3cc(OC)c(OC)cc3c[nH+]1)C2 ZINC001164818873 720178326 /nfs/dbraw/zinc/17/83/26/720178326.db2.gz VEDDOQHULFCSKO-HYBUGGRVSA-N 2 1 411.546 3.437 20 0 HGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc3cc(OC)c(OC)cc3c[nH+]1)C2 ZINC001164818873 720178329 /nfs/dbraw/zinc/17/83/29/720178329.db2.gz VEDDOQHULFCSKO-HYBUGGRVSA-N 2 1 411.546 3.437 20 0 HGADMP COc1ccc2c(C)cc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)[nH+]c2c1 ZINC001164828451 720326309 /nfs/dbraw/zinc/32/63/09/720326309.db2.gz JNCHTHOHWLAHDS-PKTZIBPZSA-N 2 1 422.573 3.463 20 0 HGADMP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2[nH+]cnc3c2ccn3Cc2ccc(F)cc2)C1 ZINC001164726111 720517129 /nfs/dbraw/zinc/51/71/29/720517129.db2.gz ARJIMFJRNNMSKZ-SFHVURJKSA-N 2 1 419.508 3.013 20 0 HGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164727998 720570657 /nfs/dbraw/zinc/57/06/57/720570657.db2.gz GZLHYSQVDKTXNQ-UHFFFAOYSA-N 2 1 414.985 3.186 20 0 HGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)CC[C@@H]21 ZINC001164843554 720600024 /nfs/dbraw/zinc/60/00/24/720600024.db2.gz XYJSYKWBMWNGBN-VJBWXMMDSA-N 2 1 408.594 3.252 20 0 HGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[NH+](CCOC)CCO[C@H]3C2)nc1 ZINC001164865002 720887252 /nfs/dbraw/zinc/88/72/52/720887252.db2.gz XTBAGIPVKJHEOS-ZRBLBEILSA-N 2 1 416.610 3.192 20 0 HGADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[N@H+](CCOC)CCO[C@H]3C2)nc1 ZINC001164865002 720887253 /nfs/dbraw/zinc/88/72/53/720887253.db2.gz XTBAGIPVKJHEOS-ZRBLBEILSA-N 2 1 416.610 3.192 20 0 HGADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@H]3C2)nc1 ZINC001164865002 720887257 /nfs/dbraw/zinc/88/72/57/720887257.db2.gz XTBAGIPVKJHEOS-ZRBLBEILSA-N 2 1 416.610 3.192 20 0 HGADMP Cc1c[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc1N ZINC001164752874 720907331 /nfs/dbraw/zinc/90/73/31/720907331.db2.gz PFOGAWNUBYFKRL-URXFXBBRSA-N 2 1 407.562 3.122 20 0 HGADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4[nH+]cnc5c4ccn5C4CCCC4)C[C@@H]3C2)cn1 ZINC001164771342 721144255 /nfs/dbraw/zinc/14/42/55/721144255.db2.gz SGJFEEGYZVNDSB-MOPGFXCFSA-N 2 1 405.550 3.238 20 0 HGADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4[nH+]cnc5c4ccn5C4CCCC4)C[C@@H]3C2)cn1 ZINC001164771342 721144256 /nfs/dbraw/zinc/14/42/56/721144256.db2.gz SGJFEEGYZVNDSB-MOPGFXCFSA-N 2 1 405.550 3.238 20 0 HGADMP CCN(C)c1cc(C)[nH+]c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164902216 721582953 /nfs/dbraw/zinc/58/29/53/721582953.db2.gz DEOCWQMMILXQNE-NRFANRHFSA-N 2 1 416.520 3.374 20 0 HGADMP Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(Cl)nc4c2CC[NH2+]C4)C3)c1 ZINC001164993651 722194189 /nfs/dbraw/zinc/19/41/89/722194189.db2.gz GTQYALCZVFSHBM-NRFANRHFSA-N 2 1 401.917 3.160 20 0 HGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-n2nc(C(=O)N3CCC[C@H]3C)c3c2CC[NH2+]C3)nc1 ZINC001164853698 720806365 /nfs/dbraw/zinc/80/63/65/720806365.db2.gz SHLQOKVJYDMXRY-YLJYHZDGSA-N 2 1 422.577 3.084 20 0 HGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[NH+](CCOC)CCO[C@@H]3C2)nc1 ZINC001164864998 720887283 /nfs/dbraw/zinc/88/72/83/720887283.db2.gz XTBAGIPVKJHEOS-YTFSRNRJSA-N 2 1 416.610 3.192 20 0 HGADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[N@H+](CCOC)CCO[C@@H]3C2)nc1 ZINC001164864998 720887284 /nfs/dbraw/zinc/88/72/84/720887284.db2.gz XTBAGIPVKJHEOS-YTFSRNRJSA-N 2 1 416.610 3.192 20 0 HGADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)nc1 ZINC001164864998 720887288 /nfs/dbraw/zinc/88/72/88/720887288.db2.gz XTBAGIPVKJHEOS-YTFSRNRJSA-N 2 1 416.610 3.192 20 0 HGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(C[C@@H]2OC[C@H]3CC[NH2+]C[C@@H]23)c2ncccn2)nc1 ZINC001164793443 721484634 /nfs/dbraw/zinc/48/46/34/721484634.db2.gz VDOMGXHAAINRDB-YSFYHYPLSA-N 2 1 422.577 3.181 20 0 HGADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc(C4CC[NH2+]CC4)n3)C[C@@H]21 ZINC001165029649 721818793 /nfs/dbraw/zinc/81/87/93/721818793.db2.gz ZXNDNMYJDZXBQD-IEIRFRATSA-N 2 1 406.578 3.076 20 0 HGADMP c1ccc(C[N@H+]2CCc3nc(N4CC[NH+](CCc5ccccn5)CC4)ccc3C2)cc1 ZINC001165053191 722010867 /nfs/dbraw/zinc/01/08/67/722010867.db2.gz ANGFQVRSKSTUAN-UHFFFAOYSA-N 2 1 413.569 3.400 20 0 HGADMP COc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]c2ccccc21 ZINC001164984643 722132062 /nfs/dbraw/zinc/13/20/62/722132062.db2.gz YEWRKXCHLXULCP-AUSIDOKSSA-N 2 1 404.514 3.366 20 0 HGADMP COc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]c2ccccc21 ZINC001164984643 722132063 /nfs/dbraw/zinc/13/20/63/722132063.db2.gz YEWRKXCHLXULCP-AUSIDOKSSA-N 2 1 404.514 3.366 20 0 HGADMP COc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]c2ccccc21 ZINC001164984646 722132605 /nfs/dbraw/zinc/13/26/05/722132605.db2.gz YEWRKXCHLXULCP-XXBNENTESA-N 2 1 404.514 3.366 20 0 HGADMP COc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]c2ccccc21 ZINC001164984646 722132607 /nfs/dbraw/zinc/13/26/07/722132607.db2.gz YEWRKXCHLXULCP-XXBNENTESA-N 2 1 404.514 3.366 20 0 HGADMP O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C(F)(F)F ZINC001473751358 1126198853 /nfs/dbraw/zinc/19/88/53/1126198853.db2.gz UCBGRZVZHYRQIV-SFTDATJTSA-N 2 1 408.464 3.143 20 0 HGADMP Cc1nc2c(n1-c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)CC[NH2+]CC2 ZINC001164429352 718949107 /nfs/dbraw/zinc/94/91/07/718949107.db2.gz OBWSFUSNEZMKKH-UHFFFAOYSA-N 2 1 422.602 3.348 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2nc(Cl)cc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164681861 719608587 /nfs/dbraw/zinc/60/85/87/719608587.db2.gz BGLPLNUHOLBCLN-UHFFFAOYSA-N 2 1 405.280 3.063 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2nc(Cl)cc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164681861 719608594 /nfs/dbraw/zinc/60/85/94/719608594.db2.gz BGLPLNUHOLBCLN-UHFFFAOYSA-N 2 1 405.280 3.063 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)Cc2nc(Cl)cc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164679537 719633644 /nfs/dbraw/zinc/63/36/44/719633644.db2.gz FUWAMYPTGMBCJB-UHFFFAOYSA-N 2 1 419.307 3.258 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)Cc2nc(Cl)cc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164679537 719633650 /nfs/dbraw/zinc/63/36/50/719633650.db2.gz FUWAMYPTGMBCJB-UHFFFAOYSA-N 2 1 419.307 3.258 20 0 HGADMP CNC(=O)C[N@H+]1CCCC12CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)CC2 ZINC001164685623 719725466 /nfs/dbraw/zinc/72/54/66/719725466.db2.gz MQXZESAAFMWTEV-UHFFFAOYSA-N 2 1 417.557 3.265 20 0 HGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3cc(OC)c(OC)cc31)C2 ZINC001164807064 720123342 /nfs/dbraw/zinc/12/33/42/720123342.db2.gz BHCUYVAMZVLHNF-DVECYGJZSA-N 2 1 411.546 3.437 20 0 HGADMP CC(C)[N@H+]1[C@@H]2CCN(c3cc[nH+]c(N4CCCCC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164844155 720597869 /nfs/dbraw/zinc/59/78/69/720597869.db2.gz ZHHFYLNMTOMTQA-QHAWAJNXSA-N 2 1 409.582 3.041 20 0 HGADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cc[nH+]c(N4CCCCC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164844155 720597881 /nfs/dbraw/zinc/59/78/81/720597881.db2.gz ZHHFYLNMTOMTQA-QHAWAJNXSA-N 2 1 409.582 3.041 20 0 HGADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843555 720600625 /nfs/dbraw/zinc/60/06/25/720600625.db2.gz XYJSYKWBMWNGBN-XPWALMASSA-N 2 1 408.594 3.252 20 0 HGADMP COc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]c2ccccc21 ZINC001164744689 720839619 /nfs/dbraw/zinc/83/96/19/720839619.db2.gz LDBRUSWCTTYLFM-WOIUINJBSA-N 2 1 418.545 3.214 20 0 HGADMP COc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]c2ccccc21 ZINC001164744689 720839621 /nfs/dbraw/zinc/83/96/21/720839621.db2.gz LDBRUSWCTTYLFM-WOIUINJBSA-N 2 1 418.545 3.214 20 0 HGADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)C[C@@H]3C2)cn1 ZINC001164774144 721148930 /nfs/dbraw/zinc/14/89/30/721148930.db2.gz ZVHCAJQUQYXCQS-QUCCMNQESA-N 2 1 414.985 3.023 20 0 HGADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)C[C@@H]3C2)cn1 ZINC001164774144 721148940 /nfs/dbraw/zinc/14/89/40/721148940.db2.gz ZVHCAJQUQYXCQS-QUCCMNQESA-N 2 1 414.985 3.023 20 0 HGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(C[C@@H]2OC[C@H]3CC[NH2+]C[C@H]23)c2ncccn2)nc1 ZINC001164793442 721484725 /nfs/dbraw/zinc/48/47/25/721484725.db2.gz VDOMGXHAAINRDB-MBDNFAEBSA-N 2 1 422.577 3.181 20 0 HGADMP [NH3+]C1CCN(c2cccc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)n2)CC1 ZINC001164994010 722206220 /nfs/dbraw/zinc/20/62/20/722206220.db2.gz CONRAAYQSPUIHM-XMMPIXPASA-N 2 1 409.553 3.393 20 0 HGADMP [NH3+]C1CCN(c2cccc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)[nH+]2)CC1 ZINC001164994010 722206223 /nfs/dbraw/zinc/20/62/23/722206223.db2.gz CONRAAYQSPUIHM-XMMPIXPASA-N 3 1 409.553 3.393 20 0 HGADMP [NH3+]C1CCN(c2cccc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)[nH+]2)CC1 ZINC001164994010 722206226 /nfs/dbraw/zinc/20/62/26/722206226.db2.gz CONRAAYQSPUIHM-XMMPIXPASA-N 3 1 409.553 3.393 20 0 HGADMP C[NH+](C)CCOCc1ncn2c1CN(c1[nH+]cnc3c1ccn3C1CCCC1)CCC2 ZINC001165002596 722254022 /nfs/dbraw/zinc/25/40/22/722254022.db2.gz RESIBLDBFBBSCF-UHFFFAOYSA-N 2 1 423.565 3.231 20 0 HGADMP CCc1nc2sc3c(c2c(-n2nc(C[N@H+](C)C(C)C)c4c2C[NH2+]CC4)n1)CCC3 ZINC001164679633 719639441 /nfs/dbraw/zinc/63/94/41/719639441.db2.gz JHWYWGRTBPHUBK-UHFFFAOYSA-N 2 1 410.591 3.414 20 0 HGADMP CCc1nc2sc3c(c2c(-n2nc(C[N@@H+](C)C(C)C)c4c2C[NH2+]CC4)n1)CCC3 ZINC001164679633 719639452 /nfs/dbraw/zinc/63/94/52/719639452.db2.gz JHWYWGRTBPHUBK-UHFFFAOYSA-N 2 1 410.591 3.414 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3ccncc3)nc3sccc32)c2c1CC[NH2+]C2 ZINC001164679721 719647075 /nfs/dbraw/zinc/64/70/75/719647075.db2.gz KGBAKSHOGQZITP-UHFFFAOYSA-N 2 1 419.558 3.425 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3ccncc3)nc3sccc32)c2c1CC[NH2+]C2 ZINC001164679721 719647079 /nfs/dbraw/zinc/64/70/79/719647079.db2.gz KGBAKSHOGQZITP-UHFFFAOYSA-N 2 1 419.558 3.425 20 0 HGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[NH+](CCOC)CCO[C@H]3C2)nc1 ZINC001164865000 720887502 /nfs/dbraw/zinc/88/75/02/720887502.db2.gz XTBAGIPVKJHEOS-ZLNRFVROSA-N 2 1 416.610 3.192 20 0 HGADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@H]3C2)nc1 ZINC001164865000 720887504 /nfs/dbraw/zinc/88/75/04/720887504.db2.gz XTBAGIPVKJHEOS-ZLNRFVROSA-N 2 1 416.610 3.192 20 0 HGADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@H]3C2)nc1 ZINC001164865000 720887507 /nfs/dbraw/zinc/88/75/07/720887507.db2.gz XTBAGIPVKJHEOS-ZLNRFVROSA-N 2 1 416.610 3.192 20 0 HGADMP Cc1c[nH+]c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(N)c1 ZINC001164756243 720900864 /nfs/dbraw/zinc/90/08/64/720900864.db2.gz OQXLCIBVDRHFDC-QPPBQGQZSA-N 2 1 407.562 3.122 20 0 HGADMP Cc1c[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(N)c1 ZINC001164756243 720900872 /nfs/dbraw/zinc/90/08/72/720900872.db2.gz OQXLCIBVDRHFDC-QPPBQGQZSA-N 2 1 407.562 3.122 20 0 HGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)[C@H]2C ZINC001164858801 721020570 /nfs/dbraw/zinc/02/05/70/721020570.db2.gz GYSGXKUWYRDAGO-SFHVURJKSA-N 2 1 412.582 3.078 20 0 HGADMP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4[nH+]cnc5c4ccn5C4CCCC4)C[C@H]3C2)cn1 ZINC001164771344 721142847 /nfs/dbraw/zinc/14/28/47/721142847.db2.gz SGJFEEGYZVNDSB-RBUKOAKNSA-N 2 1 405.550 3.238 20 0 HGADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4[nH+]cnc5c4ccn5C4CCCC4)C[C@H]3C2)cn1 ZINC001164771344 721142861 /nfs/dbraw/zinc/14/28/61/721142861.db2.gz SGJFEEGYZVNDSB-RBUKOAKNSA-N 2 1 405.550 3.238 20 0 HGADMP c1cncc(C[N@@H+]2CCC3(C2)CCN(c2ccc(OCC4CC[NH2+]CC4)cn2)CC3)c1 ZINC001164964619 722024410 /nfs/dbraw/zinc/02/44/10/722024410.db2.gz WZGXMTQKGXEGFN-UHFFFAOYSA-N 2 1 421.589 3.348 20 0 HGADMP COc1ccc2c(cc[nH+]c2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979913 722107234 /nfs/dbraw/zinc/10/72/34/722107234.db2.gz IIQFCPSQKZJBAM-NFBKMPQASA-N 2 1 404.514 3.366 20 0 HGADMP COc1ccc2c(cc[nH+]c2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979913 722107236 /nfs/dbraw/zinc/10/72/36/722107236.db2.gz IIQFCPSQKZJBAM-NFBKMPQASA-N 2 1 404.514 3.366 20 0 HGADMP COc1ccc2c[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cc2c1 ZINC001164980967 722132393 /nfs/dbraw/zinc/13/23/93/722132393.db2.gz OGLNRLBBEMEMMR-REWPJTCUSA-N 2 1 404.514 3.366 20 0 HGADMP COc1ccc2c[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)cc2c1 ZINC001164980967 722132394 /nfs/dbraw/zinc/13/23/94/722132394.db2.gz OGLNRLBBEMEMMR-REWPJTCUSA-N 2 1 404.514 3.366 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(-c2nc3cc(F)c(F)cc3nc2Cl)c2c1CC[NH2+]C2 ZINC001164684013 719616874 /nfs/dbraw/zinc/61/68/74/719616874.db2.gz LYZFOUBMJRROSY-UHFFFAOYSA-N 2 1 406.868 3.233 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(-c2nc3cc(F)c(F)cc3nc2Cl)c2c1CC[NH2+]C2 ZINC001164684013 719616875 /nfs/dbraw/zinc/61/68/75/719616875.db2.gz LYZFOUBMJRROSY-UHFFFAOYSA-N 2 1 406.868 3.233 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(-c2ncnc3[nH]c4ccc(Cl)cc4c32)c2c1CC[NH2+]C2 ZINC001164680211 719635994 /nfs/dbraw/zinc/63/59/94/719635994.db2.gz SCLYNQNXASUFJZ-UHFFFAOYSA-N 2 1 409.925 3.436 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(-c2ncnc3[nH]c4ccc(Cl)cc4c32)c2c1CC[NH2+]C2 ZINC001164680211 719636008 /nfs/dbraw/zinc/63/60/08/719636008.db2.gz SCLYNQNXASUFJZ-UHFFFAOYSA-N 2 1 409.925 3.436 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(-c2cc(SCc3ccccc3)ncn2)c2c1CC[NH2+]C2 ZINC001164679816 719645565 /nfs/dbraw/zinc/64/55/65/719645565.db2.gz OAZIITQEFCOLRU-UHFFFAOYSA-N 2 1 408.575 3.441 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(SCc3ccccc3)ncn2)c2c1CC[NH2+]C2 ZINC001164679816 719645573 /nfs/dbraw/zinc/64/55/73/719645573.db2.gz OAZIITQEFCOLRU-UHFFFAOYSA-N 2 1 408.575 3.441 20 0 HGADMP COCc1nn(-c2nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c32)c2c1C[NH2+]C2 ZINC001164715151 720079302 /nfs/dbraw/zinc/07/93/02/720079302.db2.gz ZCESFYSBHGCSIP-UHFFFAOYSA-N 2 1 412.563 3.229 20 0 HGADMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3[nH]cc(C)c31)CC2 ZINC001164710023 720093443 /nfs/dbraw/zinc/09/34/43/720093443.db2.gz FQTXASCLBOPQCU-IBGZPJMESA-N 2 1 406.534 3.169 20 0 HGADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3[nH]cc(C)c31)CC2 ZINC001164710023 720093455 /nfs/dbraw/zinc/09/34/55/720093455.db2.gz FQTXASCLBOPQCU-IBGZPJMESA-N 2 1 406.534 3.169 20 0 HGADMP COc1ccc2c[nH+]c(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)cc2c1 ZINC001164831992 720330214 /nfs/dbraw/zinc/33/02/14/720330214.db2.gz SRJLNKFCZQKADI-FGZHOGPDSA-N 2 1 408.546 3.155 20 0 HGADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cccc(N3CCOCC3)[nH+]1)CC2 ZINC001164837030 720704771 /nfs/dbraw/zinc/70/47/71/720704771.db2.gz CXHBEIFVWQNXQY-JOCHJYFZSA-N 2 1 422.573 3.178 20 0 HGADMP Cc1c[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc1N ZINC001164752870 720907396 /nfs/dbraw/zinc/90/73/96/720907396.db2.gz PFOGAWNUBYFKRL-QPPBQGQZSA-N 2 1 407.562 3.122 20 0 HGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)[C@@H]2C ZINC001164861013 721016552 /nfs/dbraw/zinc/01/65/52/721016552.db2.gz MRPXCYZBRBFJMO-GOSISDBHSA-N 3 1 412.582 3.173 20 0 HGADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)[C@@H]2C ZINC001164861013 721016559 /nfs/dbraw/zinc/01/65/59/721016559.db2.gz MRPXCYZBRBFJMO-GOSISDBHSA-N 2 1 412.582 3.173 20 0 HGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)[C@@H]2C ZINC001164861013 721016570 /nfs/dbraw/zinc/01/65/70/721016570.db2.gz MRPXCYZBRBFJMO-GOSISDBHSA-N 2 1 412.582 3.173 20 0 HGADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)C[C@H]3C2)cn1 ZINC001164774147 721149896 /nfs/dbraw/zinc/14/98/96/721149896.db2.gz ZVHCAJQUQYXCQS-UYAOXDASSA-N 2 1 414.985 3.023 20 0 HGADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)C[C@H]3C2)cn1 ZINC001164774147 721149899 /nfs/dbraw/zinc/14/98/99/721149899.db2.gz ZVHCAJQUQYXCQS-UYAOXDASSA-N 2 1 414.985 3.023 20 0 HGADMP CCOC(=O)Cc1ccnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165019701 721831373 /nfs/dbraw/zinc/83/13/73/721831373.db2.gz BHNAZBDZCGCNPR-BVSLBCMMSA-N 2 1 408.546 3.319 20 0 HGADMP CCOC(=O)c1c[nH]c2cc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)[nH+]cc21 ZINC001164653600 719314538 /nfs/dbraw/zinc/31/45/38/719314538.db2.gz XKYIDZUSRKLLKV-UHFFFAOYSA-N 2 1 410.522 3.141 20 0 HGADMP CCOC(=O)c1cc2ccccc2nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683524 719630652 /nfs/dbraw/zinc/63/06/52/719630652.db2.gz SQZNZEKZGKCEGV-UHFFFAOYSA-N 2 1 407.518 3.083 20 0 HGADMP CCOC(=O)c1cc2ccccc2nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683524 719630658 /nfs/dbraw/zinc/63/06/58/719630658.db2.gz SQZNZEKZGKCEGV-UHFFFAOYSA-N 2 1 407.518 3.083 20 0 HGADMP Cc1cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(-c2ccc(Cl)nc2)n1 ZINC001164679800 719648236 /nfs/dbraw/zinc/64/82/36/719648236.db2.gz NKJXBWYANGIIKN-UHFFFAOYSA-N 2 1 411.941 3.172 20 0 HGADMP Cc1cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(-c2ccc(Cl)nc2)n1 ZINC001164679800 719648240 /nfs/dbraw/zinc/64/82/40/719648240.db2.gz NKJXBWYANGIIKN-UHFFFAOYSA-N 2 1 411.941 3.172 20 0 HGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1 ZINC001164742468 720594358 /nfs/dbraw/zinc/59/43/58/720594358.db2.gz NMPSMCPCXLKPJR-JOCHJYFZSA-N 2 1 408.594 3.484 20 0 HGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)nc1 ZINC001164759535 721235867 /nfs/dbraw/zinc/23/58/67/721235867.db2.gz ASUMJVLZJPPHLD-RJGXRXQPSA-N 2 1 408.594 3.320 20 0 HGADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1 ZINC001164759535 721235876 /nfs/dbraw/zinc/23/58/76/721235876.db2.gz ASUMJVLZJPPHLD-RJGXRXQPSA-N 2 1 408.594 3.320 20 0 HGADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1 ZINC001164759535 721235881 /nfs/dbraw/zinc/23/58/81/721235881.db2.gz ASUMJVLZJPPHLD-RJGXRXQPSA-N 2 1 408.594 3.320 20 0 HGADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c12 ZINC001164793000 721497343 /nfs/dbraw/zinc/49/73/43/721497343.db2.gz YFIQILOVLIIPTR-UHFFFAOYSA-N 2 1 420.517 3.021 20 0 HGADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c12 ZINC001164793000 721497345 /nfs/dbraw/zinc/49/73/45/721497345.db2.gz YFIQILOVLIIPTR-UHFFFAOYSA-N 2 1 420.517 3.021 20 0 HGADMP C[NH+](C)Cc1ccnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164909685 721729691 /nfs/dbraw/zinc/72/96/91/721729691.db2.gz CXMRADCKPVUUFI-OAQYLSRUSA-N 2 1 401.505 3.276 20 0 HGADMP CCOC(=O)Cc1ccnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165019702 721831439 /nfs/dbraw/zinc/83/14/39/721831439.db2.gz BHNAZBDZCGCNPR-ILWGZMRPSA-N 2 1 408.546 3.319 20 0 HGADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cccc(N5CCOCC5)[nH+]4)CC3)C2)cc1 ZINC001164938724 721929270 /nfs/dbraw/zinc/92/92/70/721929270.db2.gz FQAGDQJSGOFCNF-UHFFFAOYSA-N 2 1 422.573 3.098 20 0 HGADMP COc1ccc2c(cc[nH+]c2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164979917 722107113 /nfs/dbraw/zinc/10/71/13/722107113.db2.gz IIQFCPSQKZJBAM-REWPJTCUSA-N 2 1 404.514 3.366 20 0 HGADMP COc1ccc2c(cc[nH+]c2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164979917 722107114 /nfs/dbraw/zinc/10/71/14/722107114.db2.gz IIQFCPSQKZJBAM-REWPJTCUSA-N 2 1 404.514 3.366 20 0 HGADMP COc1ccc2c[nH+]c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)cc2c1 ZINC001164831994 720330535 /nfs/dbraw/zinc/33/05/35/720330535.db2.gz SRJLNKFCZQKADI-YADHBBJMSA-N 2 1 408.546 3.155 20 0 HGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164748891 720800583 /nfs/dbraw/zinc/80/05/83/720800583.db2.gz RUYNBGPMGOLZER-QZNHQXDQSA-N 2 1 422.577 3.151 20 0 HGADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164748891 720800585 /nfs/dbraw/zinc/80/05/85/720800585.db2.gz RUYNBGPMGOLZER-QZNHQXDQSA-N 2 1 422.577 3.151 20 0 HGADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164748891 720800587 /nfs/dbraw/zinc/80/05/87/720800587.db2.gz RUYNBGPMGOLZER-QZNHQXDQSA-N 2 1 422.577 3.151 20 0 HGADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]cnc3[nH]c(C)cc31)CC2 ZINC001164787695 721455687 /nfs/dbraw/zinc/45/56/87/721455687.db2.gz PLTANMFXNUGDIF-LJQANCHMSA-N 2 1 413.566 3.000 20 0 HGADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]cnc3[nH]c(C)cc31)CC2 ZINC001164787695 721455688 /nfs/dbraw/zinc/45/56/88/721455688.db2.gz PLTANMFXNUGDIF-LJQANCHMSA-N 2 1 413.566 3.000 20 0 HGADMP COc1ccc2c[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cc2c1 ZINC001164980961 722132817 /nfs/dbraw/zinc/13/28/17/722132817.db2.gz OGLNRLBBEMEMMR-NFBKMPQASA-N 2 1 404.514 3.366 20 0 HGADMP COc1ccc2c[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)cc2c1 ZINC001164980961 722132820 /nfs/dbraw/zinc/13/28/20/722132820.db2.gz OGLNRLBBEMEMMR-NFBKMPQASA-N 2 1 404.514 3.366 20 0 HGADMP C[NH+]1CCN(c2cccc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)n2)CC1 ZINC001164995944 722203350 /nfs/dbraw/zinc/20/33/50/722203350.db2.gz QEXBFAZPMFIGSE-XMMPIXPASA-N 2 1 409.553 3.217 20 0 HGADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)c2c1C ZINC001164408981 718864430 /nfs/dbraw/zinc/86/44/30/718864430.db2.gz OHSUNBDSYZVVPH-ZWKOTPCHSA-N 2 1 415.607 3.109 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(-c2ncnc3sc4c(c32)CC[C@@H](C)C4)c2c1CC[NH2+]C2 ZINC001164683654 719620974 /nfs/dbraw/zinc/62/09/74/719620974.db2.gz UHXDYQGIPTVAQZ-CQSZACIVSA-N 2 1 410.591 3.488 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(-c2ncnc3sc4c(c32)CC[C@@H](C)C4)c2c1CC[NH2+]C2 ZINC001164683654 719620979 /nfs/dbraw/zinc/62/09/79/719620979.db2.gz UHXDYQGIPTVAQZ-CQSZACIVSA-N 2 1 410.591 3.488 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)cc(Cc3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164681221 719632169 /nfs/dbraw/zinc/63/21/69/719632169.db2.gz DJUZJRYSCZALIW-UHFFFAOYSA-N 2 1 410.953 3.392 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)cc(Cc3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164681221 719632179 /nfs/dbraw/zinc/63/21/79/719632179.db2.gz DJUZJRYSCZALIW-UHFFFAOYSA-N 2 1 410.953 3.392 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(-c2ncccc2OCc2ccc(F)cc2)c2c1CC[NH2+]C2 ZINC001164679483 719643548 /nfs/dbraw/zinc/64/35/48/719643548.db2.gz CDBQXOQBGAHQQV-UHFFFAOYSA-N 2 1 409.509 3.471 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(-c2ncccc2OCc2ccc(F)cc2)c2c1CC[NH2+]C2 ZINC001164679483 719643557 /nfs/dbraw/zinc/64/35/57/719643557.db2.gz CDBQXOQBGAHQQV-UHFFFAOYSA-N 2 1 409.509 3.471 20 0 HGADMP CC[N@H+]1CCCC[C@H]1c1ccc(-n2nc(C(=O)N3CCC[C@@H]3C)c3c2CC[NH2+]C3)nc1 ZINC001164853694 720806195 /nfs/dbraw/zinc/80/61/95/720806195.db2.gz SHLQOKVJYDMXRY-PXNSSMCTSA-N 2 1 422.577 3.084 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(-c2ncnc3sc4c(c32)CC[C@H](C)C4)c2c1CC[NH2+]C2 ZINC001164683650 719620873 /nfs/dbraw/zinc/62/08/73/719620873.db2.gz UHXDYQGIPTVAQZ-AWEZNQCLSA-N 2 1 410.591 3.488 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(-c2ncnc3sc4c(c32)CC[C@H](C)C4)c2c1CC[NH2+]C2 ZINC001164683650 719620880 /nfs/dbraw/zinc/62/08/80/719620880.db2.gz UHXDYQGIPTVAQZ-AWEZNQCLSA-N 2 1 410.591 3.488 20 0 HGADMP Cc1cc[nH+]c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164680961 719653182 /nfs/dbraw/zinc/65/31/82/719653182.db2.gz JZLIIAWNWKXQIW-FQEVSTJZSA-N 2 1 406.574 3.483 20 0 HGADMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3[nH]c(C)c(C)c31)CC2 ZINC001164718050 720120392 /nfs/dbraw/zinc/12/03/92/720120392.db2.gz RBGOQGLGDCQQRS-FQEVSTJZSA-N 2 1 420.561 3.477 20 0 HGADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3[nH]c(C)c(C)c31)CC2 ZINC001164718050 720120399 /nfs/dbraw/zinc/12/03/99/720120399.db2.gz RBGOQGLGDCQQRS-FQEVSTJZSA-N 2 1 420.561 3.477 20 0 HGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3cc(OC)c(OC)cc31)C2 ZINC001164807067 720123605 /nfs/dbraw/zinc/12/36/05/720123605.db2.gz BHCUYVAMZVLHNF-NTKDMRAZSA-N 2 1 411.546 3.437 20 0 HGADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc(C3CC[NH2+]CC3)n1)CC2 ZINC001164841004 720703687 /nfs/dbraw/zinc/70/36/87/720703687.db2.gz UHSFIZMDHUQSNE-QFIPXVFZSA-N 2 1 421.589 3.204 20 0 HGADMP COc1ccc2c(cc[nH+]c2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979915 722107070 /nfs/dbraw/zinc/10/70/70/722107070.db2.gz IIQFCPSQKZJBAM-NZQKXSOJSA-N 2 1 404.514 3.366 20 0 HGADMP COc1ccc2c(cc[nH+]c2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979915 722107071 /nfs/dbraw/zinc/10/70/71/722107071.db2.gz IIQFCPSQKZJBAM-NZQKXSOJSA-N 2 1 404.514 3.366 20 0 HGADMP [NH3+]CC1(F)CCN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC001164389307 718813374 /nfs/dbraw/zinc/81/33/74/718813374.db2.gz UVMDKXKTNVWVBW-UHFFFAOYSA-N 2 1 403.571 3.433 20 0 HGADMP CCOC(=O)c1cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc2ccccc21 ZINC001164684743 719620995 /nfs/dbraw/zinc/62/09/95/719620995.db2.gz XFAPGVYQFDEZTP-UHFFFAOYSA-N 2 1 407.518 3.083 20 0 HGADMP CCOC(=O)c1cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc2ccccc21 ZINC001164684743 719621000 /nfs/dbraw/zinc/62/10/00/719621000.db2.gz XFAPGVYQFDEZTP-UHFFFAOYSA-N 2 1 407.518 3.083 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(-c2cc(-c3nc(C(C)(C)C)no3)ccn2)c2c1CC[NH2+]C2 ZINC001164679723 719633964 /nfs/dbraw/zinc/63/39/64/719633964.db2.gz KIVWJEXHBPGZIZ-UHFFFAOYSA-N 2 1 409.538 3.101 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(-c3nc(C(C)(C)C)no3)ccn2)c2c1CC[NH2+]C2 ZINC001164679723 719633970 /nfs/dbraw/zinc/63/39/70/719633970.db2.gz KIVWJEXHBPGZIZ-UHFFFAOYSA-N 2 1 409.538 3.101 20 0 HGADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(-n3ccnc3)cc[nH+]1)CC2 ZINC001164712246 720150574 /nfs/dbraw/zinc/15/05/74/720150574.db2.gz LSNAPZAIZSZTDN-JOCHJYFZSA-N 2 1 418.545 3.170 20 0 HGADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CC[N@@H+]3C(C)(C)c2ccnc(Cl)c2)CC1 ZINC001164830859 720354975 /nfs/dbraw/zinc/35/49/75/720354975.db2.gz XNTGKCDVZGEKDM-MOPGFXCFSA-N 2 1 404.986 3.377 20 0 HGADMP CCOC(=O)c1c[nH]c2cc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)[nH+]cc21 ZINC001164856360 720997239 /nfs/dbraw/zinc/99/72/39/720997239.db2.gz BWFHWKBSEBWUMP-OAHLLOKOSA-N 2 1 410.522 3.358 20 0 HGADMP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4[nH+]cnc5c4ccn5C4CCCC4)C[C@@H]3C2)cn1 ZINC001164771343 721143365 /nfs/dbraw/zinc/14/33/65/721143365.db2.gz SGJFEEGYZVNDSB-OALUTQOASA-N 2 1 405.550 3.238 20 0 HGADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4[nH+]cnc5c4ccn5C4CCCC4)C[C@@H]3C2)cn1 ZINC001164771343 721143375 /nfs/dbraw/zinc/14/33/75/721143375.db2.gz SGJFEEGYZVNDSB-OALUTQOASA-N 2 1 405.550 3.238 20 0 HGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(C[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)nc1 ZINC001164793441 721484675 /nfs/dbraw/zinc/48/46/75/721484675.db2.gz VDOMGXHAAINRDB-KJJMTIBFSA-N 2 1 422.577 3.181 20 0 HGADMP CCOC(=O)Cc1ccnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165019704 721831316 /nfs/dbraw/zinc/83/13/16/721831316.db2.gz BHNAZBDZCGCNPR-KSEOMHKRSA-N 2 1 408.546 3.319 20 0 HGADMP [NH3+]C1CCN(c2cccc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)n2)CC1 ZINC001164994009 722206150 /nfs/dbraw/zinc/20/61/50/722206150.db2.gz CONRAAYQSPUIHM-DEOSSOPVSA-N 2 1 409.553 3.393 20 0 HGADMP [NH3+]C1CCN(c2cccc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)[nH+]2)CC1 ZINC001164994009 722206155 /nfs/dbraw/zinc/20/61/55/722206155.db2.gz CONRAAYQSPUIHM-DEOSSOPVSA-N 3 1 409.553 3.393 20 0 HGADMP [NH3+]C1CCN(c2cccc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)[nH+]2)CC1 ZINC001164994009 722206161 /nfs/dbraw/zinc/20/61/61/722206161.db2.gz CONRAAYQSPUIHM-DEOSSOPVSA-N 3 1 409.553 3.393 20 0 HGADMP O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C(F)(F)F ZINC001473751356 1126198801 /nfs/dbraw/zinc/19/88/01/1126198801.db2.gz UCBGRZVZHYRQIV-NHCUHLMSSA-N 2 1 408.464 3.143 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2c[nH]c3nc(Cl)ccc23)c2c1CC[NH2+]C2 ZINC001164681103 719623284 /nfs/dbraw/zinc/62/32/84/719623284.db2.gz AIKDKKATNRJGGN-UHFFFAOYSA-N 2 1 408.884 3.496 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2c[nH]c3nc(Cl)ccc23)c2c1CC[NH2+]C2 ZINC001164681103 719623291 /nfs/dbraw/zinc/62/32/91/719623291.db2.gz AIKDKKATNRJGGN-UHFFFAOYSA-N 2 1 408.884 3.496 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(C(=O)OCc3ccccc3)cn2)c2c1CC[NH2+]C2 ZINC001164679782 719642440 /nfs/dbraw/zinc/64/24/40/719642440.db2.gz MXRTYUFNCHPNQX-UHFFFAOYSA-N 2 1 419.529 3.110 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(C(=O)OCc3ccccc3)cn2)c2c1CC[NH2+]C2 ZINC001164679782 719642444 /nfs/dbraw/zinc/64/24/44/719642444.db2.gz MXRTYUFNCHPNQX-UHFFFAOYSA-N 2 1 419.529 3.110 20 0 HGADMP COc1ccc2c[nH+]c(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)cc2c1 ZINC001164831993 720330556 /nfs/dbraw/zinc/33/05/56/720330556.db2.gz SRJLNKFCZQKADI-VXKWHMMOSA-N 2 1 408.546 3.155 20 0 HGADMP C[NH+]1CCC(Oc2ccnc(N([C@H]3COC4(C3)CC[NH2+]CC4)C(C)(C)C)c2)CC1 ZINC001164733161 720547171 /nfs/dbraw/zinc/54/71/71/720547171.db2.gz BPZATWRVQFKLMZ-GOSISDBHSA-N 2 1 402.583 3.071 20 0 HGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(C[NH+](C)C4CC4)cn3)CC[C@@H]21 ZINC001164842269 720617901 /nfs/dbraw/zinc/61/79/01/720617901.db2.gz VFPYNPKWBFYRFZ-PUHATCMVSA-N 2 1 408.594 3.250 20 0 HGADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(C[N@H+](C)C4CC4)cn3)CC[C@@H]21 ZINC001164842269 720617905 /nfs/dbraw/zinc/61/79/05/720617905.db2.gz VFPYNPKWBFYRFZ-PUHATCMVSA-N 2 1 408.594 3.250 20 0 HGADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC[C@@H]21 ZINC001164842269 720617911 /nfs/dbraw/zinc/61/79/11/720617911.db2.gz VFPYNPKWBFYRFZ-PUHATCMVSA-N 2 1 408.594 3.250 20 0 HGADMP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]ccc4c3ccn4Cc3ccccc3)CC[C@@H]2C1 ZINC001164860643 720860909 /nfs/dbraw/zinc/86/09/09/720860909.db2.gz WKODVAPOKYESEY-ZJSXRUAMSA-N 2 1 420.557 3.258 20 0 HGADMP Cc1c[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc1N ZINC001164752877 720907708 /nfs/dbraw/zinc/90/77/08/720907708.db2.gz PFOGAWNUBYFKRL-XUZZJYLKSA-N 2 1 407.562 3.122 20 0 HGADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]ccc4c3ccn4C)C2)C1 ZINC001164778830 721341441 /nfs/dbraw/zinc/34/14/41/721341441.db2.gz PBAONEQPIKZODQ-HSZRJFAPSA-N 2 1 409.534 3.297 20 0 HGADMP CCOc1cc[nH+]c(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)c1 ZINC001164788702 721459400 /nfs/dbraw/zinc/45/94/00/721459400.db2.gz VRMWLKJBYAPPMX-FQEVSTJZSA-N 2 1 403.567 3.214 20 0 HGADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3c1C[NH2+]CC3)CC2 ZINC001164793374 721489913 /nfs/dbraw/zinc/48/99/13/721489913.db2.gz QYPNPWWWUCQVRT-UHFFFAOYSA-N 2 1 412.969 3.052 20 0 HGADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164791191 721491382 /nfs/dbraw/zinc/49/13/82/721491382.db2.gz CIWFTRKYIMPLJH-UHFFFAOYSA-N 2 1 412.969 3.052 20 0 HGADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cccc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164796393 721497289 /nfs/dbraw/zinc/49/72/89/721497289.db2.gz UBDWQLKAIVIAHT-UHFFFAOYSA-N 2 1 420.605 3.109 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(-c2cc(C(=O)Nc3ccccc3)ccn2)c2c1CC[NH2+]C2 ZINC001164684762 719623552 /nfs/dbraw/zinc/62/35/52/719623552.db2.gz XJTQHDBCLUCGBJ-UHFFFAOYSA-N 2 1 404.518 3.006 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(C(=O)Nc3ccccc3)ccn2)c2c1CC[NH2+]C2 ZINC001164684762 719623556 /nfs/dbraw/zinc/62/35/56/719623556.db2.gz XJTQHDBCLUCGBJ-UHFFFAOYSA-N 2 1 404.518 3.006 20 0 HGADMP CC(C)[N@H+](C)Cc1nn(-c2cc(Cl)ncc2C(=O)OC(C)(C)C)c2c1CC[NH2+]C2 ZINC001164685076 719627202 /nfs/dbraw/zinc/62/72/02/719627202.db2.gz ZLOWDPFLMRPXLB-UHFFFAOYSA-N 2 1 419.957 3.362 20 0 HGADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(Cl)ncc2C(=O)OC(C)(C)C)c2c1CC[NH2+]C2 ZINC001164685076 719627208 /nfs/dbraw/zinc/62/72/08/719627208.db2.gz ZLOWDPFLMRPXLB-UHFFFAOYSA-N 2 1 419.957 3.362 20 0 HGADMP Cc1nc(C[N@H+]2CCCC23CCN(c2cccc(N4CCOCC4)[nH+]2)CC3)cs1 ZINC001164691232 719811702 /nfs/dbraw/zinc/81/17/02/719811702.db2.gz BIVZMKOETNJQNV-UHFFFAOYSA-N 2 1 413.591 3.318 20 0 HGADMP CCN(C)c1cc(C)[nH+]c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164700300 719886348 /nfs/dbraw/zinc/88/63/48/719886348.db2.gz JIZLRPUVENFIDK-UHFFFAOYSA-N 2 1 401.580 3.174 20 0 HGADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc3cc(OC)c(OC)cc3c[nH+]1)C2 ZINC001164818872 720176872 /nfs/dbraw/zinc/17/68/72/720176872.db2.gz VEDDOQHULFCSKO-GBXCKJPGSA-N 2 1 411.546 3.437 20 0 HGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc3cc(OC)c(OC)cc3c[nH+]1)C2 ZINC001164818872 720176886 /nfs/dbraw/zinc/17/68/86/720176886.db2.gz VEDDOQHULFCSKO-GBXCKJPGSA-N 2 1 411.546 3.437 20 0 HGADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc3cc(OC)c(OC)cc3c[nH+]1)C2 ZINC001164818874 720178031 /nfs/dbraw/zinc/17/80/31/720178031.db2.gz VEDDOQHULFCSKO-RDPSFJRHSA-N 2 1 411.546 3.437 20 0 HGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc3cc(OC)c(OC)cc3c[nH+]1)C2 ZINC001164818874 720178040 /nfs/dbraw/zinc/17/80/40/720178040.db2.gz VEDDOQHULFCSKO-RDPSFJRHSA-N 2 1 411.546 3.437 20 0 HGADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc[nH+]c(N4CCCCC4)n3)CC[C@@H]21 ZINC001164844153 720599127 /nfs/dbraw/zinc/59/91/27/720599127.db2.gz ZHHFYLNMTOMTQA-HKBOAZHASA-N 2 1 409.582 3.041 20 0 HGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc[nH+]c(N4CCCCC4)n3)CC[C@@H]21 ZINC001164844153 720599143 /nfs/dbraw/zinc/59/91/43/720599143.db2.gz ZHHFYLNMTOMTQA-HKBOAZHASA-N 2 1 409.582 3.041 20 0 HGADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ncccc3C[NH+]3CCCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164844160 720641888 /nfs/dbraw/zinc/64/18/88/720641888.db2.gz ZMDVKNKXHLZUNF-RJGXRXQPSA-N 2 1 408.594 3.252 20 0 HGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncccc3C[NH+]3CCCC3)CC[C@@H]21 ZINC001164844161 720643158 /nfs/dbraw/zinc/64/31/58/720643158.db2.gz ZMDVKNKXHLZUNF-VABKMULXSA-N 2 1 408.594 3.252 20 0 HGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)[C@@H]2C ZINC001164858800 721020001 /nfs/dbraw/zinc/02/00/01/721020001.db2.gz GYSGXKUWYRDAGO-GOSISDBHSA-N 2 1 412.582 3.078 20 0 HGADMP CCOc1cc[nH+]c(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)c1 ZINC001164788705 721459278 /nfs/dbraw/zinc/45/92/78/721459278.db2.gz VRMWLKJBYAPPMX-HXUWFJFHSA-N 2 1 403.567 3.214 20 0 HGADMP