smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CC[N@@H+](C)Cc2csc(-c3ccc(Cl)cc3)n2)cc1OC ZINC000016338724 569031679 /nfs/dbraw/zinc/03/16/79/569031679.db2.gz QAYHEEYLLVSASV-UHFFFAOYSA-N 1 1 402.947 5.155 20 0 HKADMO FC(F)(F)c1cccc(C2=CC[N@@H+](CCc3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000035826853 571317048 /nfs/dbraw/zinc/31/70/48/571317048.db2.gz CNEWKIDCGDXBDE-UHFFFAOYSA-N 1 1 407.479 6.704 20 0 investigational HKADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(CC(F)C4)CC3)c2c1C ZINC001164414985 718884058 /nfs/dbraw/zinc/88/40/58/718884058.db2.gz COIVHHPVWSLKER-UHFFFAOYSA-N 1 1 402.583 5.013 20 0 HKADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC3(CC(F)C3)CC2)n1 ZINC001164415431 718884552 /nfs/dbraw/zinc/88/45/52/718884552.db2.gz ILPYHMCACKHNNL-UHFFFAOYSA-N 1 1 410.562 5.138 20 0 HKADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC(=O)c4ccc(F)cc43)CC2)nc1 ZINC001164423267 718939221 /nfs/dbraw/zinc/93/92/21/718939221.db2.gz GAAGHSDQEIPIAX-HSZRJFAPSA-N 1 1 421.560 5.282 20 0 HKADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC(=O)c4ccc(F)cc43)CC2)nc1 ZINC001164423268 718938028 /nfs/dbraw/zinc/93/80/28/718938028.db2.gz GAAGHSDQEIPIAX-QHCPKHFHSA-N 1 1 421.560 5.282 20 0 HKADMO F[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c32)C[C@@H]2C[C@@H]21 ZINC001164431714 718964543 /nfs/dbraw/zinc/96/45/43/718964543.db2.gz REVLLRRPNWRIFG-CMKODMSKSA-N 1 1 422.573 5.138 20 0 HKADMO F[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c32)C[C@H]2C[C@H]21 ZINC001164431718 718964446 /nfs/dbraw/zinc/96/44/46/718964446.db2.gz REVLLRRPNWRIFG-QWFCFKBJSA-N 1 1 422.573 5.138 20 0 HKADMO Cc1[nH+]cc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(Cl)cc3)c1)C2 ZINC001164448027 718993014 /nfs/dbraw/zinc/99/30/14/718993014.db2.gz GADZRMPTCOXYAJ-UHFFFAOYSA-N 1 1 409.267 5.125 20 0 HKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc4cc(Cl)ccc4n2)CC3)cs1 ZINC001164690826 719804857 /nfs/dbraw/zinc/80/48/57/719804857.db2.gz AJCNVGIWJAXFML-UHFFFAOYSA-N 1 1 412.990 5.288 20 0 HKADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4ccc(C(C)C)cc42)CC3)cs1 ZINC001164691663 719813795 /nfs/dbraw/zinc/81/37/95/719813795.db2.gz JKTAKWFIVBCXNE-UHFFFAOYSA-N 1 1 421.614 5.153 20 0 HKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(Cl)nc4sccc42)CC3)cs1 ZINC001164691889 719807285 /nfs/dbraw/zinc/80/72/85/719807285.db2.gz AAAWVADZPGZPEK-UHFFFAOYSA-N 1 1 419.019 5.350 20 0 HKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nccc4cc(Cl)ccc42)CC3)cs1 ZINC001164691957 719807123 /nfs/dbraw/zinc/80/71/23/719807123.db2.gz BRQWHOXJBISRLX-UHFFFAOYSA-N 1 1 412.990 5.288 20 0 HKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc4c(Cl)cccc4n2)CC3)cs1 ZINC001164691985 719808666 /nfs/dbraw/zinc/80/86/66/719808666.db2.gz DODVSIKLTMMBPN-UHFFFAOYSA-N 1 1 412.990 5.288 20 0 HKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(-c4ccccc4)ccn2)CC3)cs1 ZINC001164692056 719806050 /nfs/dbraw/zinc/80/60/50/719806050.db2.gz FNNMHPUXLSRZDG-UHFFFAOYSA-N 1 1 404.583 5.149 20 0 HKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C)c4cccc(C)c4n2)CC3)cs1 ZINC001164692279 719804746 /nfs/dbraw/zinc/80/47/46/719804746.db2.gz MHUKCHZIBVQEEV-UHFFFAOYSA-N 1 1 406.599 5.252 20 0 HKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(Cl)nc4ccccc42)CC3)cs1 ZINC001164692388 719803285 /nfs/dbraw/zinc/80/32/85/719803285.db2.gz NROLGOHJXMCNFH-UHFFFAOYSA-N 1 1 412.990 5.288 20 0 HKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc4ccc(Cl)cc4n2)CC3)cs1 ZINC001164692430 719810860 /nfs/dbraw/zinc/81/08/60/719810860.db2.gz GRYPQVKLDRKECB-UHFFFAOYSA-N 1 1 412.990 5.288 20 0 HKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nccc4c(Cl)cccc42)CC3)cs1 ZINC001164692441 719808005 /nfs/dbraw/zinc/80/80/05/719808005.db2.gz HFTQVQAKDPEZAM-UHFFFAOYSA-N 1 1 412.990 5.288 20 0 HKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc4cccc(Cl)c4n2)CC3)cs1 ZINC001164692518 719807465 /nfs/dbraw/zinc/80/74/65/719807465.db2.gz ISHZMOCUJYQGIJ-UHFFFAOYSA-N 1 1 412.990 5.288 20 0 HKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(Cl)nc4ccsc42)CC3)cs1 ZINC001164692599 719807101 /nfs/dbraw/zinc/80/71/01/719807101.db2.gz KPESYHJUWJMTGW-UHFFFAOYSA-N 1 1 419.019 5.350 20 0 HKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C)c4ccc(C)c(C)c4n2)CC3)cs1 ZINC001164693114 719814078 /nfs/dbraw/zinc/81/40/78/719814078.db2.gz UUSKTKPWFBIECK-UHFFFAOYSA-N 1 1 420.626 5.560 20 0 HKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nccc4ccc(Cl)cc42)CC3)cs1 ZINC001164694049 719807084 /nfs/dbraw/zinc/80/70/84/719807084.db2.gz UGKDGTUBXQHDQA-UHFFFAOYSA-N 1 1 412.990 5.288 20 0 HKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc4c(C)ccc(F)c4cc2C)CC3)cs1 ZINC001164694061 719811207 /nfs/dbraw/zinc/81/12/07/719811207.db2.gz ULEZLIPHOASYRN-UHFFFAOYSA-N 1 1 424.589 5.391 20 0 HKADMO c1ccc(-c2cc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc3ccccc32)cc1 ZINC001164735097 720432042 /nfs/dbraw/zinc/43/20/42/720432042.db2.gz VYZURGQGHORBLU-CLJLJLNGSA-N 1 1 406.533 5.150 20 0 HKADMO c1ccc(-c2cc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc3ccccc32)cc1 ZINC001164735098 720432607 /nfs/dbraw/zinc/43/26/07/720432607.db2.gz VYZURGQGHORBLU-FTJBHMTQSA-N 1 1 406.533 5.150 20 0 HKADMO c1ccc(-c2cc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc3ccccc32)cc1 ZINC001164735099 720430953 /nfs/dbraw/zinc/43/09/53/720430953.db2.gz VYZURGQGHORBLU-IZZNHLLZSA-N 1 1 406.533 5.150 20 0 HKADMO c1ccc(-c2cc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc3ccccc32)cc1 ZINC001164735100 720431400 /nfs/dbraw/zinc/43/14/00/720431400.db2.gz VYZURGQGHORBLU-UIOOFZCWSA-N 1 1 406.533 5.150 20 0 HKADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)nc1 ZINC001164773524 721061428 /nfs/dbraw/zinc/06/14/28/721061428.db2.gz SEAMIXSUONEVFS-BFLUCZKCSA-N 1 1 405.586 5.172 20 0 HKADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)nc1 ZINC001164773528 721061272 /nfs/dbraw/zinc/06/12/72/721061272.db2.gz SEAMIXSUONEVFS-DGWZTRNLSA-N 1 1 405.586 5.172 20 0 HKADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)nc1 ZINC001164773532 721061184 /nfs/dbraw/zinc/06/11/84/721061184.db2.gz SEAMIXSUONEVFS-GSLIJJQTSA-N 1 1 405.586 5.172 20 0 HKADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)nc1 ZINC001164773537 721061407 /nfs/dbraw/zinc/06/14/07/721061407.db2.gz SEAMIXSUONEVFS-MZKUHISZSA-N 1 1 405.586 5.172 20 0 HKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)cc3ccc(F)cc31)CC2 ZINC001164791392 721492730 /nfs/dbraw/zinc/49/27/30/721492730.db2.gz CIRYGRGJFICYBE-UHFFFAOYSA-N 1 1 424.951 5.303 20 0 HKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3c(Cl)cccc3n1)CC2 ZINC001164791589 721494932 /nfs/dbraw/zinc/49/49/32/721494932.db2.gz DXLDTIPFEKPTMU-UHFFFAOYSA-N 1 1 406.961 5.164 20 0 HKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)nc3ccsc31)CC2 ZINC001164791925 721493055 /nfs/dbraw/zinc/49/30/55/721493055.db2.gz FALMAELDARMGFL-UHFFFAOYSA-N 1 1 412.990 5.226 20 0 HKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3cccc(Cl)c3n1)CC2 ZINC001164791931 721494152 /nfs/dbraw/zinc/49/41/52/721494152.db2.gz FGABWNCNTWDQJN-UHFFFAOYSA-N 1 1 406.961 5.164 20 0 HKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)nc3sccc31)CC2 ZINC001164791962 721493544 /nfs/dbraw/zinc/49/35/44/721493544.db2.gz HEKVNMMAAQIIKW-UHFFFAOYSA-N 1 1 412.990 5.226 20 0 HKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)cc3cc(F)ccc31)CC2 ZINC001164792172 721489097 /nfs/dbraw/zinc/48/90/97/721489097.db2.gz HQVDMUIWQNFLNW-UHFFFAOYSA-N 1 1 424.951 5.303 20 0 HKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)nc3ccc(F)cc31)CC2 ZINC001164792209 721492706 /nfs/dbraw/zinc/49/27/06/721492706.db2.gz KIDPUGAACWIEKS-UHFFFAOYSA-N 1 1 424.951 5.303 20 0 HKADMO Cc1ccc2nc(Cl)cc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2c1 ZINC001164792542 721493516 /nfs/dbraw/zinc/49/35/16/721493516.db2.gz QKPBHOJRFDNCLN-UHFFFAOYSA-N 1 1 420.988 5.473 20 0 HKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc3cc(Cl)ccc31)CC2 ZINC001164792613 721493324 /nfs/dbraw/zinc/49/33/24/721493324.db2.gz SFPQCIYMNLBYSB-UHFFFAOYSA-N 1 1 406.961 5.164 20 0 HKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc3ccc(Cl)cc31)CC2 ZINC001164792665 721493112 /nfs/dbraw/zinc/49/31/12/721493112.db2.gz TWNFOIUVVNGKDH-UHFFFAOYSA-N 1 1 406.961 5.164 20 0 HKADMO Cc1ccc2c(c1)nc(Cl)cc2N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792848 721496566 /nfs/dbraw/zinc/49/65/66/721496566.db2.gz UAFHUXFSLLODAC-UHFFFAOYSA-N 1 1 420.988 5.473 20 0 HKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc3c(Cl)cccc31)CC2 ZINC001164792865 721494799 /nfs/dbraw/zinc/49/47/99/721494799.db2.gz UCXKZPXPOKGHST-UHFFFAOYSA-N 1 1 406.961 5.164 20 0 HKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(F)cc3ccc(Cl)nc31)CC2 ZINC001164792994 721495528 /nfs/dbraw/zinc/49/55/28/721495528.db2.gz XVIMPGLUDKXJPM-UHFFFAOYSA-N 1 1 424.951 5.303 20 0 HKADMO Cc1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc2c(C)cccc12 ZINC001164793141 721490491 /nfs/dbraw/zinc/49/04/91/721490491.db2.gz OBJXOWJKPAUYDY-UHFFFAOYSA-N 1 1 400.570 5.128 20 0 HKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3cc(Cl)ccc3n1)CC2 ZINC001164793163 721491276 /nfs/dbraw/zinc/49/12/76/721491276.db2.gz OFEWXODFFSUXCC-UHFFFAOYSA-N 1 1 406.961 5.164 20 0 HKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)nc3ccccc31)CC2 ZINC001164793379 721489306 /nfs/dbraw/zinc/48/93/06/721489306.db2.gz RHNSXISZGAEBDY-UHFFFAOYSA-N 1 1 406.961 5.164 20 0 HKADMO CC(C)c1cc2c(ncnc2N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)s1 ZINC001164793814 721490038 /nfs/dbraw/zinc/49/00/38/721490038.db2.gz XGEKAEFPSUYIPK-UHFFFAOYSA-N 1 1 421.614 5.091 20 0 HKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc3cc(F)c(Cl)cc31)CC2 ZINC001164794637 721502986 /nfs/dbraw/zinc/50/29/86/721502986.db2.gz BCDSAADQGXMUIS-UHFFFAOYSA-N 1 1 424.951 5.303 20 0 HKADMO Cc1ccc2c(C)cc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nc2c1C ZINC001164795152 721500837 /nfs/dbraw/zinc/50/08/37/721500837.db2.gz FOBYKZAXFKXYOT-UHFFFAOYSA-N 1 1 414.597 5.436 20 0 HKADMO Cc1cccc2cc(Cl)nc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c12 ZINC001164795296 721503231 /nfs/dbraw/zinc/50/32/31/721503231.db2.gz KFNTWGAQDLWMBS-UHFFFAOYSA-N 1 1 420.988 5.473 20 0 HKADMO Cc1ccc(F)c2cc(C)c(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nc12 ZINC001164795457 721497329 /nfs/dbraw/zinc/49/73/29/721497329.db2.gz HOYBWIHJBZNJHW-UHFFFAOYSA-N 1 1 418.560 5.267 20 0 HKADMO Cc1ccc2cc(Cl)nc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2c1 ZINC001164795964 721497858 /nfs/dbraw/zinc/49/78/58/721497858.db2.gz NXSQNJGNGHEEQE-UHFFFAOYSA-N 1 1 420.988 5.473 20 0 HKADMO CC(C)c1nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cc(C(C)(C)C)n1 ZINC001164796316 721501622 /nfs/dbraw/zinc/50/16/22/721501622.db2.gz PZUOYNILKDSYTP-UHFFFAOYSA-N 1 1 421.633 5.174 20 0 HKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)nc3c(F)cccc13)CC2 ZINC001164796323 721503709 /nfs/dbraw/zinc/50/37/09/721503709.db2.gz RUHKLNLBJATBQT-UHFFFAOYSA-N 1 1 424.951 5.303 20 0 HKADMO Cc1ccc2c(c1)cc(Cl)nc2N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164796340 721498003 /nfs/dbraw/zinc/49/80/03/721498003.db2.gz QQHJTIDNMRWFCH-UHFFFAOYSA-N 1 1 420.988 5.473 20 0 HKADMO CC(C)c1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc(C(C)(C)C)n1 ZINC001164796359 721501626 /nfs/dbraw/zinc/50/16/26/721501626.db2.gz REKBWPUXZWVVRV-UHFFFAOYSA-N 1 1 421.633 5.174 20 0 HKADMO Cc1c(Cl)ccc2ccc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nc21 ZINC001164796384 721498443 /nfs/dbraw/zinc/49/84/43/721498443.db2.gz SYTVPJMWCQMULR-UHFFFAOYSA-N 1 1 420.988 5.473 20 0 HKADMO Cc1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc2cc(Cl)ccc12 ZINC001164796663 721497214 /nfs/dbraw/zinc/49/72/14/721497214.db2.gz VAJOXPRLQBXSHK-UHFFFAOYSA-N 1 1 420.988 5.473 20 0 HKADMO CC(C)c1ccc2ncnc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2c1 ZINC001164796702 721500783 /nfs/dbraw/zinc/50/07/83/721500783.db2.gz VTGZHNSIWHGDCY-UHFFFAOYSA-N 1 1 415.585 5.029 20 0 HKADMO Cc1nc(C2CCCCC2)cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164796760 721499472 /nfs/dbraw/zinc/49/94/72/721499472.db2.gz WZEWIQAMJDZKPE-UHFFFAOYSA-N 1 1 419.617 5.109 20 0 HKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3ccc(Cl)cc3n1)CC2 ZINC001164796820 721497089 /nfs/dbraw/zinc/49/70/89/721497089.db2.gz ZDLPLOXKVNPUAM-UHFFFAOYSA-N 1 1 406.961 5.164 20 0 HKADMO Cc1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc2c(Cl)cccc12 ZINC001164796824 721498764 /nfs/dbraw/zinc/49/87/64/721498764.db2.gz ZFKSCRTWPPDPOI-UHFFFAOYSA-N 1 1 420.988 5.473 20 0 HKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)cc3cccc(F)c31)CC2 ZINC001164797071 721504759 /nfs/dbraw/zinc/50/47/59/721504759.db2.gz YNHXEGUEGQVKPL-UHFFFAOYSA-N 1 1 424.951 5.303 20 0 HKADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164828676 720396513 /nfs/dbraw/zinc/39/65/13/720396513.db2.gz KIHKTMYOGUMLMH-NRFANRHFSA-N 1 1 405.920 5.208 20 0 HKADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001164828680 720396943 /nfs/dbraw/zinc/39/69/43/720396943.db2.gz KIHKTMYOGUMLMH-OAQYLSRUSA-N 1 1 405.920 5.208 20 0 HKADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3ccc(Cl)cc3n1)CC2 ZINC001164839728 720698978 /nfs/dbraw/zinc/69/89/78/720698978.db2.gz BNNXXTUXVRZRJV-JOCHJYFZSA-N 1 1 421.972 5.148 20 0 HKADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3ccc(Cl)cc3n1)CC2 ZINC001164839746 720698860 /nfs/dbraw/zinc/69/88/60/720698860.db2.gz BNNXXTUXVRZRJV-QFIPXVFZSA-N 1 1 421.972 5.148 20 0 HKADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3c(Cl)cccc3n1)CC2 ZINC001164840455 720689589 /nfs/dbraw/zinc/68/95/89/720689589.db2.gz DZLHJTGTUOGGNJ-FQEVSTJZSA-N 1 1 421.972 5.148 20 0 HKADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3c(Cl)cccc3n1)CC2 ZINC001164840457 720689018 /nfs/dbraw/zinc/68/90/18/720689018.db2.gz DZLHJTGTUOGGNJ-HXUWFJFHSA-N 1 1 421.972 5.148 20 0 HKADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(-c3ccccc3)ccn1)CC2 ZINC001164842460 720677217 /nfs/dbraw/zinc/67/72/17/720677217.db2.gz RRBCRBOSNFQRTR-RUZDIDTESA-N 1 1 413.565 5.009 20 0 HKADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(-c3ccccc3)ccn1)CC2 ZINC001164842466 720676351 /nfs/dbraw/zinc/67/63/51/720676351.db2.gz RRBCRBOSNFQRTR-VWLOTQADSA-N 1 1 413.565 5.009 20 0 HKADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc3ccccc3cc1Cl)CC2 ZINC001164842729 720681049 /nfs/dbraw/zinc/68/10/49/720681049.db2.gz MZHHXIVOHVCNOA-NRFANRHFSA-N 1 1 421.972 5.148 20 0 HKADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc3ccccc3cc1Cl)CC2 ZINC001164842731 720681852 /nfs/dbraw/zinc/68/18/52/720681852.db2.gz MZHHXIVOHVCNOA-OAQYLSRUSA-N 1 1 421.972 5.148 20 0 HKADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc3c(Cl)cccc31)CC2 ZINC001164843678 720687592 /nfs/dbraw/zinc/68/75/92/720687592.db2.gz QFMVYYCSWCWNSD-FQEVSTJZSA-N 1 1 421.972 5.148 20 0 HKADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc3c(Cl)cccc31)CC2 ZINC001164843681 720688147 /nfs/dbraw/zinc/68/81/47/720688147.db2.gz QFMVYYCSWCWNSD-HXUWFJFHSA-N 1 1 421.972 5.148 20 0 HKADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc3cccc(Cl)c31)CC2 ZINC001164843810 720692558 /nfs/dbraw/zinc/69/25/58/720692558.db2.gz RBUITCJLLGXBNZ-NRFANRHFSA-N 1 1 421.972 5.148 20 0 HKADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc3cccc(Cl)c31)CC2 ZINC001164843812 720693651 /nfs/dbraw/zinc/69/36/51/720693651.db2.gz RBUITCJLLGXBNZ-OAQYLSRUSA-N 1 1 421.972 5.148 20 0 HKADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3cc(Cl)ccc3n1)CC2 ZINC001164844268 720668436 /nfs/dbraw/zinc/66/84/36/720668436.db2.gz ZVABQUZXLCZNHR-JOCHJYFZSA-N 1 1 421.972 5.148 20 0 HKADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3cc(Cl)ccc3n1)CC2 ZINC001164844269 720667692 /nfs/dbraw/zinc/66/76/92/720667692.db2.gz ZVABQUZXLCZNHR-QFIPXVFZSA-N 1 1 421.972 5.148 20 0 HKADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc3ccc(Cl)cc31)CC2 ZINC001164844568 720680561 /nfs/dbraw/zinc/68/05/61/720680561.db2.gz UPBJHTFKPRUCKC-JOCHJYFZSA-N 1 1 421.972 5.148 20 0 HKADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc3ccc(Cl)cc31)CC2 ZINC001164844569 720681306 /nfs/dbraw/zinc/68/13/06/720681306.db2.gz UPBJHTFKPRUCKC-QFIPXVFZSA-N 1 1 421.972 5.148 20 0 HKADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3cccc(Cl)c3n1)CC2 ZINC001164844892 720682797 /nfs/dbraw/zinc/68/27/97/720682797.db2.gz VWOMDWIRXPYYCP-NRFANRHFSA-N 1 1 421.972 5.148 20 0 HKADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3cccc(Cl)c3n1)CC2 ZINC001164844894 720683707 /nfs/dbraw/zinc/68/37/07/720683707.db2.gz VWOMDWIRXPYYCP-OAQYLSRUSA-N 1 1 421.972 5.148 20 0 HKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3c(Cl)ccc(Cl)c3n1)[C@H]2C ZINC001164856561 721017526 /nfs/dbraw/zinc/01/75/26/721017526.db2.gz AZPSCMLBWSAVRT-AWEZNQCLSA-N 1 1 418.372 5.160 20 0 HKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3c(Cl)ccc(Cl)c3n1)[C@@H]2C ZINC001164856572 721017368 /nfs/dbraw/zinc/01/73/68/721017368.db2.gz AZPSCMLBWSAVRT-CQSZACIVSA-N 1 1 418.372 5.160 20 0 HKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(-c3ccccc3)cc(Cl)n1)[C@H]2C ZINC001164857040 720960205 /nfs/dbraw/zinc/96/02/05/720960205.db2.gz GBOCNDGHPGDITF-KRWDZBQOSA-N 1 1 409.965 5.020 20 0 HKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(-c3ccccc3)cc(Cl)n1)[C@@H]2C ZINC001164857041 720961343 /nfs/dbraw/zinc/96/13/43/720961343.db2.gz GBOCNDGHPGDITF-QGZVFWFLSA-N 1 1 409.965 5.020 20 0 HKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)ccc1-c1ccccc1)[C@H]2C ZINC001164859204 720957258 /nfs/dbraw/zinc/95/72/58/720957258.db2.gz LDIKXBZGNGVNKX-KRWDZBQOSA-N 1 1 409.965 5.020 20 0 HKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)ccc1-c1ccccc1)[C@@H]2C ZINC001164859207 720957750 /nfs/dbraw/zinc/95/77/50/720957750.db2.gz LDIKXBZGNGVNKX-QGZVFWFLSA-N 1 1 409.965 5.020 20 0 HKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(Cl)nc3cc(Cl)ccc31)[C@H]2C ZINC001164859910 720948736 /nfs/dbraw/zinc/94/87/36/720948736.db2.gz OJFDFTMUJJMKGY-AWEZNQCLSA-N 1 1 418.372 5.160 20 0 HKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(Cl)nc3cc(Cl)ccc31)[C@@H]2C ZINC001164859913 720949554 /nfs/dbraw/zinc/94/95/54/720949554.db2.gz OJFDFTMUJJMKGY-CQSZACIVSA-N 1 1 418.372 5.160 20 0 HKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1c(Cl)ccc3ccc(Cl)nc31)[C@H]2C ZINC001164861009 721017240 /nfs/dbraw/zinc/01/72/40/721017240.db2.gz MNOLWQHXDPLBJY-AWEZNQCLSA-N 1 1 418.372 5.160 20 0 HKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1c(Cl)ccc3ccc(Cl)nc31)[C@@H]2C ZINC001164861010 721017170 /nfs/dbraw/zinc/01/71/70/721017170.db2.gz MNOLWQHXDPLBJY-CQSZACIVSA-N 1 1 418.372 5.160 20 0 HKADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc3ccc(Cl)cc31)C2 ZINC001164908485 721751134 /nfs/dbraw/zinc/75/11/34/721751134.db2.gz KLINMGVQUAVRCH-UHFFFAOYSA-N 1 1 418.928 5.071 20 0 HKADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc3ccc(Cl)cc31)C2 ZINC001164908485 721751138 /nfs/dbraw/zinc/75/11/38/721751138.db2.gz KLINMGVQUAVRCH-UHFFFAOYSA-N 1 1 418.928 5.071 20 0 HKADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(Cl)nc3ccsc31)C2 ZINC001164908945 721750548 /nfs/dbraw/zinc/75/05/48/721750548.db2.gz OXSNKCRVVHRHTI-UHFFFAOYSA-N 1 1 424.957 5.132 20 0 HKADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(Cl)nc3ccsc31)C2 ZINC001164908945 721750554 /nfs/dbraw/zinc/75/05/54/721750554.db2.gz OXSNKCRVVHRHTI-UHFFFAOYSA-N 1 1 424.957 5.132 20 0 HKADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc3cc(Cl)ccc31)C2 ZINC001164908955 721751002 /nfs/dbraw/zinc/75/10/02/721751002.db2.gz PAIKELNVFXLMPZ-UHFFFAOYSA-N 1 1 418.928 5.071 20 0 HKADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc3cc(Cl)ccc31)C2 ZINC001164908955 721751011 /nfs/dbraw/zinc/75/10/11/721751011.db2.gz PAIKELNVFXLMPZ-UHFFFAOYSA-N 1 1 418.928 5.071 20 0 HKADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3cc(Cl)ccc3n1)C2 ZINC001164909360 721746967 /nfs/dbraw/zinc/74/69/67/721746967.db2.gz PLAKDPJHEXYKLJ-UHFFFAOYSA-N 1 1 418.928 5.071 20 0 HKADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3cc(Cl)ccc3n1)C2 ZINC001164909360 721746981 /nfs/dbraw/zinc/74/69/81/721746981.db2.gz PLAKDPJHEXYKLJ-UHFFFAOYSA-N 1 1 418.928 5.071 20 0 HKADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc3ccccc3cc1Cl)C2 ZINC001164909374 721750943 /nfs/dbraw/zinc/75/09/43/721750943.db2.gz PXPAEVPCPXVYAR-UHFFFAOYSA-N 1 1 418.928 5.071 20 0 HKADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc3ccccc3cc1Cl)C2 ZINC001164909374 721750948 /nfs/dbraw/zinc/75/09/48/721750948.db2.gz PXPAEVPCPXVYAR-UHFFFAOYSA-N 1 1 418.928 5.071 20 0 HKADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(Cl)nc3sccc31)C2 ZINC001164909382 721751623 /nfs/dbraw/zinc/75/16/23/721751623.db2.gz QLIULIWBXOQWCX-UHFFFAOYSA-N 1 1 424.957 5.132 20 0 HKADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(Cl)nc3sccc31)C2 ZINC001164909382 721751631 /nfs/dbraw/zinc/75/16/31/721751631.db2.gz QLIULIWBXOQWCX-UHFFFAOYSA-N 1 1 424.957 5.132 20 0 HKADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3cccc(Cl)c3n1)C2 ZINC001164909394 721752498 /nfs/dbraw/zinc/75/24/98/721752498.db2.gz QUVVDPAFPPSAFD-UHFFFAOYSA-N 1 1 418.928 5.071 20 0 HKADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3cccc(Cl)c3n1)C2 ZINC001164909394 721752502 /nfs/dbraw/zinc/75/25/02/721752502.db2.gz QUVVDPAFPPSAFD-UHFFFAOYSA-N 1 1 418.928 5.071 20 0 HKADMO Cc1cccc2c(C)cc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nc12 ZINC001164909402 721745262 /nfs/dbraw/zinc/74/52/62/721745262.db2.gz REZGEOGMQJGTBI-UHFFFAOYSA-N 1 1 412.537 5.034 20 0 HKADMO Cc1cccc2c(C)cc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nc12 ZINC001164909402 721745263 /nfs/dbraw/zinc/74/52/63/721745263.db2.gz REZGEOGMQJGTBI-UHFFFAOYSA-N 1 1 412.537 5.034 20 0 HKADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3ccc(Cl)cc3n1)C2 ZINC001164909531 721757359 /nfs/dbraw/zinc/75/73/59/721757359.db2.gz HETFKSDQSPYHSH-UHFFFAOYSA-N 1 1 418.928 5.071 20 0 HKADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3ccc(Cl)cc3n1)C2 ZINC001164909531 721757361 /nfs/dbraw/zinc/75/73/61/721757361.db2.gz HETFKSDQSPYHSH-UHFFFAOYSA-N 1 1 418.928 5.071 20 0 HKADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc3cccc(Cl)c31)C2 ZINC001164910902 721755498 /nfs/dbraw/zinc/75/54/98/721755498.db2.gz UCEYLIZEXALJTN-UHFFFAOYSA-N 1 1 418.928 5.071 20 0 HKADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc3cccc(Cl)c31)C2 ZINC001164910902 721755501 /nfs/dbraw/zinc/75/55/01/721755501.db2.gz UCEYLIZEXALJTN-UHFFFAOYSA-N 1 1 418.928 5.071 20 0 HKADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc3c(Cl)cccc31)C2 ZINC001164910933 721753823 /nfs/dbraw/zinc/75/38/23/721753823.db2.gz URIFJEKKNRQNPI-UHFFFAOYSA-N 1 1 418.928 5.071 20 0 HKADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc3c(Cl)cccc31)C2 ZINC001164910933 721753830 /nfs/dbraw/zinc/75/38/30/721753830.db2.gz URIFJEKKNRQNPI-UHFFFAOYSA-N 1 1 418.928 5.071 20 0 HKADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c(Cl)cccc3n1)C2 ZINC001164911396 721753471 /nfs/dbraw/zinc/75/34/71/721753471.db2.gz VFIKMJSGPWKQBC-UHFFFAOYSA-N 1 1 418.928 5.071 20 0 HKADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c(Cl)cccc3n1)C2 ZINC001164911396 721753474 /nfs/dbraw/zinc/75/34/74/721753474.db2.gz VFIKMJSGPWKQBC-UHFFFAOYSA-N 1 1 418.928 5.071 20 0 HKADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(Cl)nc3ccccc31)C2 ZINC001164913836 721743472 /nfs/dbraw/zinc/74/34/72/721743472.db2.gz YUDCGZHKDODKAY-UHFFFAOYSA-N 1 1 418.928 5.071 20 0 HKADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(Cl)nc3ccccc31)C2 ZINC001164913836 721743478 /nfs/dbraw/zinc/74/34/78/721743478.db2.gz YUDCGZHKDODKAY-UHFFFAOYSA-N 1 1 418.928 5.071 20 0 HKADMO Cc1ccc2nc(Cl)cc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164951998 722015939 /nfs/dbraw/zinc/01/59/39/722015939.db2.gz FPDOLLNVIWEOME-UHFFFAOYSA-N 1 1 406.961 5.084 20 0 HKADMO Clc1ccc(-c2ccccc2)c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164952191 722016813 /nfs/dbraw/zinc/01/68/13/722016813.db2.gz IWZKWFWGZSDITR-UHFFFAOYSA-N 1 1 418.972 5.290 20 0 HKADMO Clc1cc(-c2ccccc2)cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164953746 722016880 /nfs/dbraw/zinc/01/68/80/722016880.db2.gz XXDRMCHAEJFMPK-UHFFFAOYSA-N 1 1 418.972 5.290 20 0 HKADMO Cc1c(Cl)ccc2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc21 ZINC001164955259 722020820 /nfs/dbraw/zinc/02/08/20/722020820.db2.gz CHPOEILGHWPVQS-UHFFFAOYSA-N 1 1 406.961 5.084 20 0 HKADMO Cc1ccc2c(c1)cc(Cl)nc2N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955267 722020171 /nfs/dbraw/zinc/02/01/71/722020171.db2.gz CMKDFXNJUPXQLJ-UHFFFAOYSA-N 1 1 406.961 5.084 20 0 HKADMO Cc1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc2cc(Cl)ccc12 ZINC001164955292 722019582 /nfs/dbraw/zinc/01/95/82/722019582.db2.gz DLAZMDSDMCDJAN-UHFFFAOYSA-N 1 1 406.961 5.084 20 0 HKADMO Cc1ccc2c(C)cc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc2c1C ZINC001164955627 722022245 /nfs/dbraw/zinc/02/22/45/722022245.db2.gz KWFLVJJCJKGLNA-UHFFFAOYSA-N 1 1 400.570 5.048 20 0 HKADMO Cc1csc2c1nc(Cl)cc2N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955689 722019799 /nfs/dbraw/zinc/01/97/99/722019799.db2.gz NILCKJGJUQVCIJ-UHFFFAOYSA-N 1 1 412.990 5.146 20 0 HKADMO Cc1ccc2c(c1)nc(Cl)cc2N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955842 722018789 /nfs/dbraw/zinc/01/87/89/722018789.db2.gz OUORAFFKTGTLGF-UHFFFAOYSA-N 1 1 406.961 5.084 20 0 HKADMO Cc1ccc2cc(Cl)nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164955885 722019878 /nfs/dbraw/zinc/01/98/78/722019878.db2.gz QYTIFGULCJAKCN-UHFFFAOYSA-N 1 1 406.961 5.084 20 0 HKADMO Cc1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc2c(Cl)cccc12 ZINC001164956181 722020843 /nfs/dbraw/zinc/02/08/43/722020843.db2.gz XOHVUZRCQKPIMK-UHFFFAOYSA-N 1 1 406.961 5.084 20 0 HKADMO Cc1cccc2cc(Cl)nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164958045 722023959 /nfs/dbraw/zinc/02/39/59/722023959.db2.gz DVMUCMWAZDNPEE-UHFFFAOYSA-N 1 1 406.961 5.084 20 0 HKADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3c4ccccc4[C@H](OCC4CC4)[C@@H]3C2)nc1 ZINC001164978013 722171608 /nfs/dbraw/zinc/17/16/08/722171608.db2.gz OYQSWWMSHDGYGO-BGBNXGLDSA-N 1 1 417.597 5.330 20 0 HKADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3c4ccccc4[C@@H](OCC4CC4)[C@@H]3C2)nc1 ZINC001164978017 722171571 /nfs/dbraw/zinc/17/15/71/722171571.db2.gz OYQSWWMSHDGYGO-DLGLWYJGSA-N 1 1 417.597 5.330 20 0 HKADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[C@@H](OCC4CC4)c4ccccc4[C@H]3C2)nc1 ZINC001164978019 722171610 /nfs/dbraw/zinc/17/16/10/722171610.db2.gz OYQSWWMSHDGYGO-RAKSCHNQSA-N 1 1 417.597 5.330 20 0 HKADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3[C@H](C2)c2ccccc2[C@H]3OCC2CC2)nc1 ZINC001164978021 722171596 /nfs/dbraw/zinc/17/15/96/722171596.db2.gz OYQSWWMSHDGYGO-SPGPFUFCSA-N 1 1 417.597 5.330 20 0 HKADMO Clc1ccc(C[NH+]2CCCC2)c(N2C[C@@H]3c4ccccc4[C@H](OCC4CC4)[C@@H]3C2)n1 ZINC001164980975 722171196 /nfs/dbraw/zinc/17/11/96/722171196.db2.gz ZKHINTBIEVFIBT-AKFKNWHVSA-N 1 1 423.988 5.032 20 0 HKADMO Clc1ccc(C[NH+]2CCCC2)c(N2C[C@H]3[C@H](C2)c2ccccc2[C@H]3OCC2CC2)n1 ZINC001164980976 722171094 /nfs/dbraw/zinc/17/10/94/722171094.db2.gz ZKHINTBIEVFIBT-AOHZBQACSA-N 1 1 423.988 5.032 20 0 HKADMO Clc1ccc(C[NH+]2CCCC2)c(N2C[C@@H]3c4ccccc4[C@@H](OCC4CC4)[C@@H]3C2)n1 ZINC001164980977 722170863 /nfs/dbraw/zinc/17/08/63/722170863.db2.gz ZKHINTBIEVFIBT-CQOQZXRMSA-N 1 1 423.988 5.032 20 0 HKADMO Clc1ccc(C[NH+]2CCCC2)c(N2C[C@@H]3[C@@H](OCC4CC4)c4ccccc4[C@H]3C2)n1 ZINC001164980978 722171190 /nfs/dbraw/zinc/17/11/90/722171190.db2.gz ZKHINTBIEVFIBT-GPXNEJASSA-N 1 1 423.988 5.032 20 0 HKADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cc(-c4ccnc(Cl)c4)ccn2)C3)c1 ZINC001164992629 722196274 /nfs/dbraw/zinc/19/62/74/722196274.db2.gz AIDQMFFPPCKBGS-DEOSSOPVSA-N 1 1 422.935 5.181 20 0 HKADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2cc(-c4ccnc(Cl)c4)ccn2)C3)c1 ZINC001164992633 722196174 /nfs/dbraw/zinc/19/61/74/722196174.db2.gz AIDQMFFPPCKBGS-XMMPIXPASA-N 1 1 422.935 5.181 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4ccc(Cl)cc43)C[C@H]21 ZINC001165018550 721807985 /nfs/dbraw/zinc/80/79/85/721807985.db2.gz BDWAQAZVIGMVAP-CDNPAEQRSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4ccc(Cl)cc43)C[C@@H]21 ZINC001165018551 721808115 /nfs/dbraw/zinc/80/81/15/721808115.db2.gz BDWAQAZVIGMVAP-OFAXGOBFSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4ccc(Cl)cc43)C[C@H]21 ZINC001165018552 721808184 /nfs/dbraw/zinc/80/81/84/721808184.db2.gz BDWAQAZVIGMVAP-SXSPYAJSSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4ccc(Cl)cc43)C[C@@H]21 ZINC001165018553 721808083 /nfs/dbraw/zinc/80/80/83/721808083.db2.gz BDWAQAZVIGMVAP-YFXJRYMSSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4cc(Cl)ccc4n3)C[C@@H]21 ZINC001165018642 721803272 /nfs/dbraw/zinc/80/32/72/721803272.db2.gz BUGRKAOWOHSTRX-AVCGJXAMSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4cc(Cl)ccc4n3)C[C@H]21 ZINC001165018644 721803130 /nfs/dbraw/zinc/80/31/30/721803130.db2.gz BUGRKAOWOHSTRX-JMUQELJHSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4cc(Cl)ccc4n3)C[C@H]21 ZINC001165018646 721803212 /nfs/dbraw/zinc/80/32/12/721803212.db2.gz BUGRKAOWOHSTRX-QTGUNEKASA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4cc(Cl)ccc4n3)C[C@@H]21 ZINC001165018648 721803276 /nfs/dbraw/zinc/80/32/76/721803276.db2.gz BUGRKAOWOHSTRX-RZFNWQHOSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc4cccc(F)c43)C[C@H]21 ZINC001165019113 721832130 /nfs/dbraw/zinc/83/21/30/721832130.db2.gz AYKYJNZHNGTJRZ-FBBABVLZSA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc4cccc(F)c43)C[C@@H]21 ZINC001165019120 721832288 /nfs/dbraw/zinc/83/22/88/721832288.db2.gz AYKYJNZHNGTJRZ-HFSMHLIXSA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc4cccc(F)c43)C[C@@H]21 ZINC001165019123 721832324 /nfs/dbraw/zinc/83/23/24/721832324.db2.gz AYKYJNZHNGTJRZ-SLYNCCJLSA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc4cccc(F)c43)C[C@H]21 ZINC001165019127 721832302 /nfs/dbraw/zinc/83/23/02/721832302.db2.gz AYKYJNZHNGTJRZ-YFVAEKQCSA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4c(Cl)cccc43)C[C@H]21 ZINC001165019723 721810653 /nfs/dbraw/zinc/81/06/53/721810653.db2.gz BLVHZGVSBBXVCK-AMHTUMDSSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4c(Cl)cccc43)C[C@@H]21 ZINC001165019725 721810715 /nfs/dbraw/zinc/81/07/15/721810715.db2.gz BLVHZGVSBBXVCK-FRGLQRNOSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4c(Cl)cccc43)C[C@@H]21 ZINC001165019728 721810738 /nfs/dbraw/zinc/81/07/38/721810738.db2.gz BLVHZGVSBBXVCK-JWNTYJGQSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4c(Cl)cccc43)C[C@H]21 ZINC001165019730 721810637 /nfs/dbraw/zinc/81/06/37/721810637.db2.gz BLVHZGVSBBXVCK-ODOSVJCGSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4cc(F)c(Cl)cc43)C[C@@H]21 ZINC001165019794 721829280 /nfs/dbraw/zinc/82/92/80/721829280.db2.gz CCSJZRVVSWDTMD-DHJUGAMNSA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4cc(F)c(Cl)cc43)C[C@H]21 ZINC001165019795 721829175 /nfs/dbraw/zinc/82/91/75/721829175.db2.gz CCSJZRVVSWDTMD-HCLVMJGWSA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4cc(F)c(Cl)cc43)C[C@@H]21 ZINC001165019796 721829209 /nfs/dbraw/zinc/82/92/09/721829209.db2.gz CCSJZRVVSWDTMD-KPDCDPCYSA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4cc(F)c(Cl)cc43)C[C@H]21 ZINC001165019797 721829375 /nfs/dbraw/zinc/82/93/75/721829375.db2.gz CCSJZRVVSWDTMD-XTQVGHSUSA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4ccc(Cl)cc4n3)C[C@@H]21 ZINC001165019899 721817394 /nfs/dbraw/zinc/81/73/94/721817394.db2.gz CBWRXHQQJOVPCJ-AVCGJXAMSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4ccc(Cl)cc4n3)C[C@H]21 ZINC001165019902 721817727 /nfs/dbraw/zinc/81/77/27/721817727.db2.gz CBWRXHQQJOVPCJ-JMUQELJHSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4ccc(Cl)cc4n3)C[C@H]21 ZINC001165019907 721817400 /nfs/dbraw/zinc/81/74/00/721817400.db2.gz CBWRXHQQJOVPCJ-QTGUNEKASA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4ccc(Cl)cc4n3)C[C@@H]21 ZINC001165019910 721817428 /nfs/dbraw/zinc/81/74/28/721817428.db2.gz CBWRXHQQJOVPCJ-RZFNWQHOSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4cccc(Cl)c4n3)C[C@H]21 ZINC001165020497 721808396 /nfs/dbraw/zinc/80/83/96/721808396.db2.gz FUZRENADTAYFAK-CZTZKLFOSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4cccc(Cl)c4n3)C[C@@H]21 ZINC001165020500 721808938 /nfs/dbraw/zinc/80/89/38/721808938.db2.gz FUZRENADTAYFAK-KAGYGMCKSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4cccc(Cl)c4n3)C[C@@H]21 ZINC001165020503 721808867 /nfs/dbraw/zinc/80/88/67/721808867.db2.gz FUZRENADTAYFAK-RCZSKKKRSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4cccc(Cl)c4n3)C[C@H]21 ZINC001165020507 721808933 /nfs/dbraw/zinc/80/89/33/721808933.db2.gz FUZRENADTAYFAK-SYYKKAFVSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4sccc43)C[C@H]21 ZINC001165023275 721808194 /nfs/dbraw/zinc/80/81/94/721808194.db2.gz IVKFDYPJZYAINF-ATZDWAIDSA-N 1 1 412.990 5.082 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4sccc43)C[C@@H]21 ZINC001165023276 721808111 /nfs/dbraw/zinc/80/81/11/721808111.db2.gz IVKFDYPJZYAINF-AYOQOUSVSA-N 1 1 412.990 5.082 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4sccc43)C[C@H]21 ZINC001165023277 721807974 /nfs/dbraw/zinc/80/79/74/721807974.db2.gz IVKFDYPJZYAINF-KFKAGJAMSA-N 1 1 412.990 5.082 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4sccc43)C[C@@H]21 ZINC001165023278 721808232 /nfs/dbraw/zinc/80/82/32/721808232.db2.gz IVKFDYPJZYAINF-ZYSHUDEJSA-N 1 1 412.990 5.082 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc4cc(F)ccc43)C[C@H]21 ZINC001165024727 721798812 /nfs/dbraw/zinc/79/88/12/721798812.db2.gz MRRWVIIDXHXHCP-KNXBSLHKSA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc4cc(F)ccc43)C[C@H]21 ZINC001165024732 721798578 /nfs/dbraw/zinc/79/85/78/721798578.db2.gz MRRWVIIDXHXHCP-NPFVIJTESA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc4cc(F)ccc43)C[C@@H]21 ZINC001165024735 721798705 /nfs/dbraw/zinc/79/87/05/721798705.db2.gz MRRWVIIDXHXHCP-URZJWIJPSA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc4cc(F)ccc43)C[C@@H]21 ZINC001165024738 721798612 /nfs/dbraw/zinc/79/86/12/721798612.db2.gz MRRWVIIDXHXHCP-WQTXXOFMSA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4ccccc4cc3Cl)C[C@@H]21 ZINC001165024996 721808484 /nfs/dbraw/zinc/80/84/84/721808484.db2.gz NAAGGMCPJSZBEY-GREBRCKQSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4ccccc4cc3Cl)C[C@H]21 ZINC001165024997 721808598 /nfs/dbraw/zinc/80/85/98/721808598.db2.gz NAAGGMCPJSZBEY-JXHRLWIKSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4ccccc4cc3Cl)C[C@H]21 ZINC001165024998 721808374 /nfs/dbraw/zinc/80/83/74/721808374.db2.gz NAAGGMCPJSZBEY-KKLQWCBXSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4ccccc4cc3Cl)C[C@@H]21 ZINC001165024999 721808534 /nfs/dbraw/zinc/80/85/34/721808534.db2.gz NAAGGMCPJSZBEY-QMHWCDLVSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4c(F)cccc34)C[C@H]21 ZINC001165025146 721830507 /nfs/dbraw/zinc/83/05/07/721830507.db2.gz LZPORMPBRJPCBV-LDQXTDLNSA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4c(F)cccc34)C[C@@H]21 ZINC001165025149 721830587 /nfs/dbraw/zinc/83/05/87/721830587.db2.gz LZPORMPBRJPCBV-LKUPVBHCSA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4c(F)cccc34)C[C@@H]21 ZINC001165025151 721830458 /nfs/dbraw/zinc/83/04/58/721830458.db2.gz LZPORMPBRJPCBV-NBHGPNQESA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4c(F)cccc34)C[C@H]21 ZINC001165025153 721830684 /nfs/dbraw/zinc/83/06/84/721830684.db2.gz LZPORMPBRJPCBV-OZOXKJRCSA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc4ccc(F)cc43)C[C@@H]21 ZINC001165025828 721806563 /nfs/dbraw/zinc/80/65/63/721806563.db2.gz PISDRKZEQCERMH-BULFRSBZSA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc4ccc(F)cc43)C[C@H]21 ZINC001165025829 721806430 /nfs/dbraw/zinc/80/64/30/721806430.db2.gz PISDRKZEQCERMH-MTNREXPMSA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc4ccc(F)cc43)C[C@@H]21 ZINC001165025830 721806455 /nfs/dbraw/zinc/80/64/55/721806455.db2.gz PISDRKZEQCERMH-VOQZNFBZSA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc4ccc(F)cc43)C[C@H]21 ZINC001165025831 721806541 /nfs/dbraw/zinc/80/65/41/721806541.db2.gz PISDRKZEQCERMH-ZPMCFJSWSA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(F)cc4ccc(Cl)nc43)C[C@H]21 ZINC001165026824 721812707 /nfs/dbraw/zinc/81/27/07/721812707.db2.gz RNPOVZTZZFZYSM-DUXKGJEZSA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(F)cc4ccc(Cl)nc43)C[C@@H]21 ZINC001165026825 721812822 /nfs/dbraw/zinc/81/28/22/721812822.db2.gz RNPOVZTZZFZYSM-DZFGPLHGSA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(F)cc4ccc(Cl)nc43)C[C@H]21 ZINC001165026826 721812886 /nfs/dbraw/zinc/81/28/86/721812886.db2.gz RNPOVZTZZFZYSM-IOMROCGXSA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(F)cc4ccc(Cl)nc43)C[C@@H]21 ZINC001165026827 721812765 /nfs/dbraw/zinc/81/27/65/721812765.db2.gz RNPOVZTZZFZYSM-JRGCBEDISA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4cc(Cl)ccc43)C[C@H]21 ZINC001165027232 721807997 /nfs/dbraw/zinc/80/79/97/721807997.db2.gz USHCPTRMOIFZRB-CDNPAEQRSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4cc(Cl)ccc43)C[C@@H]21 ZINC001165027233 721808240 /nfs/dbraw/zinc/80/82/40/721808240.db2.gz USHCPTRMOIFZRB-OFAXGOBFSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4cc(Cl)ccc43)C[C@H]21 ZINC001165027234 721808188 /nfs/dbraw/zinc/80/81/88/721808188.db2.gz USHCPTRMOIFZRB-SXSPYAJSSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4cc(Cl)ccc43)C[C@@H]21 ZINC001165027235 721808087 /nfs/dbraw/zinc/80/80/87/721808087.db2.gz USHCPTRMOIFZRB-YFXJRYMSSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4ccccc43)C[C@H]21 ZINC001165027403 721798675 /nfs/dbraw/zinc/79/86/75/721798675.db2.gz VRPNBHKTKUDIFD-NQSCKRDGSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4ccccc43)C[C@@H]21 ZINC001165027408 721798816 /nfs/dbraw/zinc/79/88/16/721798816.db2.gz VRPNBHKTKUDIFD-PIPMEXSNSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4ccccc43)C[C@@H]21 ZINC001165027412 721798766 /nfs/dbraw/zinc/79/87/66/721798766.db2.gz VRPNBHKTKUDIFD-RBDMOPTHSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4ccccc43)C[C@H]21 ZINC001165027417 721798571 /nfs/dbraw/zinc/79/85/71/721798571.db2.gz VRPNBHKTKUDIFD-UCNVEGJOSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(Cl)ccc(F)c4n3)C[C@H]21 ZINC001165027537 721829820 /nfs/dbraw/zinc/82/98/20/721829820.db2.gz SNLIZWLCDPVBNT-DKZVUGQWSA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(Cl)ccc(F)c4n3)C[C@@H]21 ZINC001165027540 721830266 /nfs/dbraw/zinc/83/02/66/721830266.db2.gz SNLIZWLCDPVBNT-GTCCEBARSA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(Cl)ccc(F)c4n3)C[C@@H]21 ZINC001165027542 721830013 /nfs/dbraw/zinc/83/00/13/721830013.db2.gz SNLIZWLCDPVBNT-XWFZLUIHSA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(Cl)ccc(F)c4n3)C[C@H]21 ZINC001165027544 721830132 /nfs/dbraw/zinc/83/01/32/721830132.db2.gz SNLIZWLCDPVBNT-ZWDAVXSWSA-N 1 1 424.951 5.159 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4cccc(Cl)c43)C[C@H]21 ZINC001165027699 721813491 /nfs/dbraw/zinc/81/34/91/721813491.db2.gz VOKZKIDINNIFJZ-CZTZKLFOSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4cccc(Cl)c43)C[C@@H]21 ZINC001165027705 721813750 /nfs/dbraw/zinc/81/37/50/721813750.db2.gz VOKZKIDINNIFJZ-KAGYGMCKSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4cccc(Cl)c43)C[C@@H]21 ZINC001165027710 721813568 /nfs/dbraw/zinc/81/35/68/721813568.db2.gz VOKZKIDINNIFJZ-RCZSKKKRSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4cccc(Cl)c43)C[C@H]21 ZINC001165027715 721813674 /nfs/dbraw/zinc/81/36/74/721813674.db2.gz VOKZKIDINNIFJZ-SYYKKAFVSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4ccsc43)C[C@@H]21 ZINC001165028729 721808347 /nfs/dbraw/zinc/80/83/47/721808347.db2.gz ZPOFXGKHFOOSLH-HHXXYDBFSA-N 1 1 412.990 5.082 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4ccsc43)C[C@H]21 ZINC001165028735 721808579 /nfs/dbraw/zinc/80/85/79/721808579.db2.gz ZPOFXGKHFOOSLH-KVSKMBFKSA-N 1 1 412.990 5.082 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4ccsc43)C[C@H]21 ZINC001165028739 721808468 /nfs/dbraw/zinc/80/84/68/721808468.db2.gz ZPOFXGKHFOOSLH-SZVBFZGTSA-N 1 1 412.990 5.082 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4ccsc43)C[C@@H]21 ZINC001165028746 721808548 /nfs/dbraw/zinc/80/85/48/721808548.db2.gz ZPOFXGKHFOOSLH-VDZJLULYSA-N 1 1 412.990 5.082 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(Cl)cccc4n3)C[C@@H]21 ZINC001165029320 721810673 /nfs/dbraw/zinc/81/06/73/721810673.db2.gz YRPRNNICNJFEEW-DHJUGAMNSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(Cl)cccc4n3)C[C@H]21 ZINC001165029326 721810789 /nfs/dbraw/zinc/81/07/89/721810789.db2.gz YRPRNNICNJFEEW-HCLVMJGWSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(Cl)cccc4n3)C[C@@H]21 ZINC001165029329 721810645 /nfs/dbraw/zinc/81/06/45/721810645.db2.gz YRPRNNICNJFEEW-KPDCDPCYSA-N 1 1 406.961 5.020 20 0 HKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(Cl)cccc4n3)C[C@H]21 ZINC001165029334 721810689 /nfs/dbraw/zinc/81/06/89/721810689.db2.gz YRPRNNICNJFEEW-XTQVGHSUSA-N 1 1 406.961 5.020 20 0 HKADMO Fc1ccc(OC2CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC2)c(Cl)c1 ZINC001165032703 721879928 /nfs/dbraw/zinc/87/99/28/721879928.db2.gz AKUWTJJURDYNJG-UHFFFAOYSA-N 1 1 424.347 5.171 20 0 HKADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(Oc3ccc(F)cc3Cl)CC2)nc1 ZINC001165033342 721880393 /nfs/dbraw/zinc/88/03/93/721880393.db2.gz PKZFTYRLWTUIGQ-NRFANRHFSA-N 1 1 417.956 5.469 20 0 HKADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC(Oc3ccc(F)cc3Cl)CC2)nc1 ZINC001165033348 721880395 /nfs/dbraw/zinc/88/03/95/721880395.db2.gz PKZFTYRLWTUIGQ-OAQYLSRUSA-N 1 1 417.956 5.469 20 0 HKADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N(Cc2cccnc2)Cc2ccccn2)nc1 ZINC001165039070 721881608 /nfs/dbraw/zinc/88/16/08/721881608.db2.gz WXUIGTYUMOVRSV-DEOSSOPVSA-N 1 1 401.558 5.015 20 0 HKADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N(Cc2cccnc2)Cc2ccccn2)nc1 ZINC001165039073 721881634 /nfs/dbraw/zinc/88/16/34/721881634.db2.gz WXUIGTYUMOVRSV-XMMPIXPASA-N 1 1 401.558 5.015 20 0 HKADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCCC[C@H]2c2cccnc2)n1 ZINC001165045754 721963592 /nfs/dbraw/zinc/96/35/92/721963592.db2.gz ABCLTBLMCUSVON-IBGZPJMESA-N 1 1 409.603 5.277 20 0 HKADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCCC[C@@H]2c2cccnc2)n1 ZINC001165045755 721963722 /nfs/dbraw/zinc/96/37/22/721963722.db2.gz ABCLTBLMCUSVON-LJQANCHMSA-N 1 1 409.603 5.277 20 0 HKADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCCC[C@H]3c3cccnc3)c2c1C ZINC001165045976 721963718 /nfs/dbraw/zinc/96/37/18/721963718.db2.gz FPRDOAHSWRPARB-IBGZPJMESA-N 1 1 407.587 5.031 20 0 HKADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCCC[C@@H]3c3cccnc3)c2c1C ZINC001165045977 721963584 /nfs/dbraw/zinc/96/35/84/721963584.db2.gz FPRDOAHSWRPARB-LJQANCHMSA-N 1 1 407.587 5.031 20 0 HKADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCCC[C@H]3c3cccnc3)c2c1C ZINC001165047032 721963456 /nfs/dbraw/zinc/96/34/56/721963456.db2.gz RDAKKQOKOYMPCP-FQEVSTJZSA-N 1 1 421.614 5.421 20 0 HKADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCCC[C@@H]3c3cccnc3)c2c1C ZINC001165047038 721963449 /nfs/dbraw/zinc/96/34/49/721963449.db2.gz RDAKKQOKOYMPCP-HXUWFJFHSA-N 1 1 421.614 5.421 20 0 HKADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(c3nc4ccccc4s3)CC2)nc1 ZINC001165050710 721989312 /nfs/dbraw/zinc/98/93/12/721989312.db2.gz JSACIWNQXLIOPO-NRFANRHFSA-N 1 1 406.599 5.622 20 0 HKADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC(c3nc4ccccc4s3)CC2)nc1 ZINC001165050711 721989467 /nfs/dbraw/zinc/98/94/67/721989467.db2.gz JSACIWNQXLIOPO-OAQYLSRUSA-N 1 1 406.599 5.622 20 0 HKADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCC(c3nc4ccccc4s3)CC2)n1 ZINC001165051396 721988830 /nfs/dbraw/zinc/98/88/30/721988830.db2.gz PVWODCMITPVMHH-UHFFFAOYSA-N 1 1 412.990 5.325 20 0 HKADMO