smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cnc(C(=O)N(CCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CCc2ccccc2)cn1 ZINC000000692848 551527742 /nfs/dbraw/zinc/52/77/42/551527742.db2.gz JHSBMPBXBMCBFY-UHFFFAOYSA-N 1 1 547.703 4.794 50 0 KJAAMO O=C1CS[C@]2(c3ccccc3N(CN3CC[NH+](Cc4ccccc4)CC3)C2=O)N1c1ccc(Br)cc1 ZINC000000708866 551532716 /nfs/dbraw/zinc/53/27/16/551532716.db2.gz OXBSQKKJLYPWFW-NDEPHWFRSA-N 1 1 563.521 4.504 50 0 KJAAMO COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC[C@H]4CCC[N@H+]5CCCC[C@H]45)cc3n2)cc1OC ZINC000000719864 551536450 /nfs/dbraw/zinc/53/64/50/551536450.db2.gz KOHCDUZPFFPZTD-YLJYHZDGSA-N 1 1 518.536 4.854 50 0 KJAAMO COc1ccc(CC[N@@H+](C)CC(=O)Nc2c3c(nc4ccccc42)N(Cc2ccccc2)CC3)cc1OC ZINC000000758877 551541594 /nfs/dbraw/zinc/54/15/94/551541594.db2.gz XSYNINCFVITLDN-UHFFFAOYSA-N 1 1 510.638 4.928 50 0 KJAAMO COc1ccc(CC[N@H+](C)CC(=O)Nc2c3c(nc4ccccc42)N(Cc2ccccc2)CC3)cc1OC ZINC000000758877 551541590 /nfs/dbraw/zinc/54/15/90/551541590.db2.gz XSYNINCFVITLDN-UHFFFAOYSA-N 1 1 510.638 4.928 50 0 KJAAMO COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@H]4CCC[N@H+]5CCCC[C@H]45)c3n2)cc1OC ZINC000000978070 551591349 /nfs/dbraw/zinc/59/13/49/551591349.db2.gz XRJBVOWVZSJZLM-YLJYHZDGSA-N 1 1 518.536 4.854 50 0 KJAAMO O=C(c1nn2c(c1Cl)N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000000999545 551595416 /nfs/dbraw/zinc/59/54/16/551595416.db2.gz UTDNFSHITUPIRW-JYJNAYRXSA-N 1 1 532.792 4.880 50 0 KJAAMO C[N@@H+](CCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)CCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O ZINC000001413663 551666000 /nfs/dbraw/zinc/66/60/00/551666000.db2.gz UDFGHKFTCWJJEE-JZTLMNBPSA-N 1 1 572.064 4.773 50 0 KJAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000001447749 551674548 /nfs/dbraw/zinc/67/45/48/551674548.db2.gz NNJDYBNBYQKPCO-UHFFFAOYSA-N 1 1 513.623 4.788 50 0 KJAAMO CC[N@H+]1CCc2c(sc(NC(=S)NC(=O)c3c(C)onc3-c3c(Cl)cccc3Cl)c2C(N)=O)C1 ZINC000002316670 552092925 /nfs/dbraw/zinc/09/29/25/552092925.db2.gz XJROQRQYQRPKAK-UHFFFAOYSA-N 1 1 538.482 4.622 50 0 KJAAMO CC[N@@H+]1CCc2c(sc(NC(=S)NC(=O)c3c(C)onc3-c3c(Cl)cccc3Cl)c2C(N)=O)C1 ZINC000002316670 552092922 /nfs/dbraw/zinc/09/29/22/552092922.db2.gz XJROQRQYQRPKAK-UHFFFAOYSA-N 1 1 538.482 4.622 50 0 KJAAMO O=S(=O)(/C=C/c1ccccc1)N1CCN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000002644884 552144660 /nfs/dbraw/zinc/14/46/60/552144660.db2.gz XSLVKCOFGLTCGH-DEDYPNTBSA-N 1 1 537.755 4.679 50 0 KJAAMO O=C(c1nn2c(nc(-c3ccc(Br)cc3)cc2C(F)(F)F)c1Cl)N1CC[N@H+]2CCC[C@H]2C1 ZINC000002753558 552176841 /nfs/dbraw/zinc/17/68/41/552176841.db2.gz UMLUYGSPMDBPEQ-AWEZNQCLSA-N 1 1 528.760 4.751 50 0 KJAAMO O=C(c1nn2c(nc(-c3ccc(Br)cc3)cc2C(F)(F)F)c1Cl)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000002753559 552176845 /nfs/dbraw/zinc/17/68/45/552176845.db2.gz UMLUYGSPMDBPEQ-CQSZACIVSA-N 1 1 528.760 4.751 50 0 KJAAMO Cc1ccc(C[N@H+]2CCN(C(=S)NCC(=O)NCc3ccc(F)cc3Cl)CC23CCCCC3)cc1 ZINC000002943353 552227991 /nfs/dbraw/zinc/22/79/91/552227991.db2.gz GTXFQBHSTBKMJL-UHFFFAOYSA-N 1 1 517.114 4.799 50 0 KJAAMO Cc1c[nH+]cn1CCc1nc2c3ccccc3nc(SCC(=O)Nc3ccccc3C(F)(F)F)n2n1 ZINC000002969505 552242736 /nfs/dbraw/zinc/24/27/36/552242736.db2.gz QSDUVYIIIGGBPL-UHFFFAOYSA-N 1 1 511.533 4.775 50 0 KJAAMO O=C(c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000002973694 552245452 /nfs/dbraw/zinc/24/54/52/552245452.db2.gz PNZHXDLHBCCQEM-UHFFFAOYSA-N 1 1 541.515 4.960 50 0 KJAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)sc2c1CC[N@@H+](CC)C2 ZINC000003007035 552254559 /nfs/dbraw/zinc/25/45/59/552254559.db2.gz YRXOJJLXQINMOJ-UHFFFAOYSA-N 1 1 533.716 4.508 50 0 KJAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)sc2c1CC[N@H+](CC)C2 ZINC000003007035 552254555 /nfs/dbraw/zinc/25/45/55/552254555.db2.gz YRXOJJLXQINMOJ-UHFFFAOYSA-N 1 1 533.716 4.508 50 0 KJAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2c1CC[N@@H+](CC)C2 ZINC000003007049 552254636 /nfs/dbraw/zinc/25/46/36/552254636.db2.gz ODJLJSSHJPWEHL-UHFFFAOYSA-N 1 1 553.706 4.697 50 0 KJAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2c1CC[N@H+](CC)C2 ZINC000003007049 552254634 /nfs/dbraw/zinc/25/46/34/552254634.db2.gz ODJLJSSHJPWEHL-UHFFFAOYSA-N 1 1 553.706 4.697 50 0 KJAAMO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N(C)C3CCCCC3)cc1)C[N@@H+](C(C)C)CC2 ZINC000003007123 552254993 /nfs/dbraw/zinc/25/49/93/552254993.db2.gz XCIDLVBUNTWLOM-UHFFFAOYSA-N 1 1 533.716 4.507 50 0 KJAAMO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N(C)C3CCCCC3)cc1)C[N@H+](C(C)C)CC2 ZINC000003007123 552254991 /nfs/dbraw/zinc/25/49/91/552254991.db2.gz XCIDLVBUNTWLOM-UHFFFAOYSA-N 1 1 533.716 4.507 50 0 KJAAMO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCc4ccccc43)cc1)C[N@@H+](C(C)C)CC2 ZINC000003007140 552255014 /nfs/dbraw/zinc/25/50/14/552255014.db2.gz TYMNTNWYOQFFAR-UHFFFAOYSA-N 1 1 553.706 4.695 50 0 KJAAMO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCc4ccccc43)cc1)C[N@H+](C(C)C)CC2 ZINC000003007140 552255013 /nfs/dbraw/zinc/25/50/13/552255013.db2.gz TYMNTNWYOQFFAR-UHFFFAOYSA-N 1 1 553.706 4.695 50 0 KJAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)sc2c1CC[N@H+](C(C)C)C2 ZINC000003007152 552255009 /nfs/dbraw/zinc/25/50/09/552255009.db2.gz CTUWMFDFEFIITM-UHFFFAOYSA-N 1 1 541.695 4.769 50 0 KJAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000003007152 552255007 /nfs/dbraw/zinc/25/50/07/552255007.db2.gz CTUWMFDFEFIITM-UHFFFAOYSA-N 1 1 541.695 4.769 50 0 KJAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)sc2c1CC[N@H+](C(C)C)C2 ZINC000003007155 552255063 /nfs/dbraw/zinc/25/50/63/552255063.db2.gz LEBILJQCHCGVBU-UHFFFAOYSA-N 1 1 547.743 4.897 50 0 KJAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000003007155 552255060 /nfs/dbraw/zinc/25/50/60/552255060.db2.gz LEBILJQCHCGVBU-UHFFFAOYSA-N 1 1 547.743 4.897 50 0 KJAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)sc2c1CC[N@H+](C(C)C)C2 ZINC000003007162 552255003 /nfs/dbraw/zinc/25/50/03/552255003.db2.gz WRBDCTWSMOWFED-SFHVURJKSA-N 1 1 533.716 4.507 50 0 KJAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000003007162 552255000 /nfs/dbraw/zinc/25/50/00/552255000.db2.gz WRBDCTWSMOWFED-SFHVURJKSA-N 1 1 533.716 4.507 50 0 KJAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)sc2c1CC[N@H+](C(C)C)C2 ZINC000003007166 552255032 /nfs/dbraw/zinc/25/50/32/552255032.db2.gz WKWZASJKBFPOLF-KDURUIRLSA-N 1 1 547.743 4.610 50 0 KJAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000003007166 552255031 /nfs/dbraw/zinc/25/50/31/552255031.db2.gz WKWZASJKBFPOLF-KDURUIRLSA-N 1 1 547.743 4.610 50 0 KJAAMO CCOC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)C[N@@H+](C(C)C)CC2 ZINC000003007173 552254978 /nfs/dbraw/zinc/25/49/78/552254978.db2.gz RLEMIHTZARPBDF-UHFFFAOYSA-N 1 1 533.716 4.508 50 0 KJAAMO CCOC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)C[N@H+](C(C)C)CC2 ZINC000003007173 552254976 /nfs/dbraw/zinc/25/49/76/552254976.db2.gz RLEMIHTZARPBDF-UHFFFAOYSA-N 1 1 533.716 4.508 50 0 KJAAMO O=C(Nc1ccc(Br)cc1F)c1cc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)ccc1F ZINC000003023022 552264488 /nfs/dbraw/zinc/26/44/88/552264488.db2.gz MIVSHTVGUHZYIZ-UHFFFAOYSA-N 1 1 542.446 4.619 50 0 KJAAMO O=C(CN1C(=O)/C(=C\c2ccccc2Br)Oc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000003058021 552281375 /nfs/dbraw/zinc/28/13/75/552281375.db2.gz CPUVXUFJLIYTED-NLRVBDNBSA-N 1 1 532.438 4.560 50 0 KJAAMO O=C(CN1C(=O)/C(=C\c2ccccc2Br)Oc2ccccc21)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000003058166 552281442 /nfs/dbraw/zinc/28/14/42/552281442.db2.gz QVUSHFAOZXYOPI-OVVQPSECSA-N 1 1 595.925 4.807 50 0 KJAAMO O=C(NCC[NH+]1CCCCCC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000003061902 552282677 /nfs/dbraw/zinc/28/26/77/552282677.db2.gz TVKLNDMPJNTTPY-UHFFFAOYSA-N 1 1 552.096 4.939 50 0 KJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000003062420 552283124 /nfs/dbraw/zinc/28/31/24/552283124.db2.gz WIEMSENMVRRXLR-QFIPXVFZSA-N 1 1 538.069 4.547 50 0 KJAAMO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000003062420 552283120 /nfs/dbraw/zinc/28/31/20/552283120.db2.gz WIEMSENMVRRXLR-QFIPXVFZSA-N 1 1 538.069 4.547 50 0 KJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000003062422 552283202 /nfs/dbraw/zinc/28/32/02/552283202.db2.gz WIEMSENMVRRXLR-JOCHJYFZSA-N 1 1 538.069 4.547 50 0 KJAAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000003062422 552283200 /nfs/dbraw/zinc/28/32/00/552283200.db2.gz WIEMSENMVRRXLR-JOCHJYFZSA-N 1 1 538.069 4.547 50 0 KJAAMO CCOC(=O)c1c(NC=C2c3ccccc3C(=O)N(c3ccc(OC)c(OC)c3)C2=O)sc2c1CC[N@@H+](CC)C2 ZINC000003276636 552334350 /nfs/dbraw/zinc/33/43/50/552334350.db2.gz LASVVYBORPOMMZ-CJLVFECKSA-N 1 1 561.660 4.960 50 0 KJAAMO NS(=O)(=O)c1ccc(CCNc2nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c32)cc1 ZINC000003300402 552345623 /nfs/dbraw/zinc/34/56/23/552345623.db2.gz ONCROLZHHIXFBN-UHFFFAOYSA-N 1 1 507.685 4.646 50 0 KJAAMO O=C(C[NH+](CCOc1ccccc1)CCOc1ccccc1)Nc1cccc(I)c1 ZINC000003349079 552366529 /nfs/dbraw/zinc/36/65/29/552366529.db2.gz KOBLHMHAHDJTLG-UHFFFAOYSA-N 1 1 516.379 4.690 50 0 KJAAMO Cc1c(NC(=O)c2c(NC(=O)C[N@@H+](C)C3CCCCC3)sc3c2CCCC3)c(=O)n(-c2ccccc2)n1C ZINC000003362351 552371760 /nfs/dbraw/zinc/37/17/60/552371760.db2.gz URQNJVPQLTZOIT-UHFFFAOYSA-N 1 1 535.714 4.880 50 0 KJAAMO O=C(CNc1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3)Nc1ccccc1Br ZINC000003393597 552379559 /nfs/dbraw/zinc/37/95/59/552379559.db2.gz BKPWBHANVBUFJS-UHFFFAOYSA-N 1 1 500.466 4.979 50 0 KJAAMO Cc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000003619976 552393453 /nfs/dbraw/zinc/39/34/53/552393453.db2.gz CQVFIZJAOGPEQN-MRDQGFSESA-N 1 1 529.479 4.501 50 0 KJAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@]2(O)c3cc(Br)ccc3NC(=O)N2c2ccc(Cl)cc2)C1 ZINC000003619980 552393515 /nfs/dbraw/zinc/39/35/15/552393515.db2.gz FXNCDJMGUBLBPL-GYCJOSAFSA-N 1 1 535.870 4.538 50 0 KJAAMO C[N@@H+](CCCNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000003670325 552410941 /nfs/dbraw/zinc/41/09/41/552410941.db2.gz LZVNYHPTIXIZHQ-SANMLTNESA-N 1 1 513.425 4.829 50 0 KJAAMO C[N@@H+](CCCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000003670327 552410854 /nfs/dbraw/zinc/41/08/54/552410854.db2.gz LZVNYHPTIXIZHQ-AREMUKBSSA-N 1 1 513.425 4.829 50 0 KJAAMO C[N@@H+](CCCNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000003670405 552411193 /nfs/dbraw/zinc/41/11/93/552411193.db2.gz FANADRNBFJXVRO-VWLOTQADSA-N 1 1 505.446 4.961 50 0 KJAAMO C[N@@H+](CCCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000003670407 552411208 /nfs/dbraw/zinc/41/12/08/552411208.db2.gz FANADRNBFJXVRO-RUZDIDTESA-N 1 1 505.446 4.961 50 0 KJAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000003670409 552411211 /nfs/dbraw/zinc/41/12/11/552411211.db2.gz WYPUEWBSZXVSLB-LEHBWIKQSA-N 1 1 505.446 4.960 50 0 KJAAMO Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000003833846 552419608 /nfs/dbraw/zinc/41/96/08/552419608.db2.gz QAGYKUNXZHXKMR-HKWSIXNMSA-N 1 1 567.796 4.748 50 0 fda KJAAMO CCOC(=O)Oc1c(OC)cc(C(=O)O[C@@H]2C[C@@H]3C[N@H+]4CCc5c6ccc(OC)cc6[nH]c5[C@H]4C[C@@H]3[C@H](C(=O)OC)[C@H]2OC)cc1OC ZINC000004214363 552449801 /nfs/dbraw/zinc/44/98/01/552449801.db2.gz ZCDNRPPFBQDQHR-SSYATKPKSA-N 1 1 666.724 4.698 50 0 biogenic,in-man KJAAMO CCOC(=O)Oc1c(OC)cc(C(=O)O[C@@H]2C[C@@H]3C[N@@H+]4CCc5c6ccc(OC)cc6[nH]c5[C@H]4C[C@@H]3[C@H](C(=O)OC)[C@H]2OC)cc1OC ZINC000004214363 552449799 /nfs/dbraw/zinc/44/97/99/552449799.db2.gz ZCDNRPPFBQDQHR-SSYATKPKSA-N 1 1 666.724 4.698 50 0 biogenic,in-man KJAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)ccc1OC(=O)c1ccc(Br)cc1 ZINC000004473710 552461646 /nfs/dbraw/zinc/46/16/46/552461646.db2.gz AGLKSUJZIQCNIX-QFIPXVFZSA-N 1 1 542.455 4.971 50 0 KJAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)ccc1OC(=O)c1ccc(Br)cc1 ZINC000004473710 552461643 /nfs/dbraw/zinc/46/16/43/552461643.db2.gz AGLKSUJZIQCNIX-QFIPXVFZSA-N 1 1 542.455 4.971 50 0 KJAAMO CCOC(=O)N1CCc2c(sc(NC(=O)C[NH2+]Cc3ccco3)c2C(=O)Nc2ccc(Br)cc2)C1 ZINC000004483857 552461806 /nfs/dbraw/zinc/46/18/06/552461806.db2.gz FYAAMNWBQBBBEH-UHFFFAOYSA-N 1 1 561.458 4.599 50 0 KJAAMO CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NCCCN4CCN(c5cccc(Cl)c5)CC4)ccc3n2)CC1 ZINC000004791305 552484618 /nfs/dbraw/zinc/48/46/18/552484618.db2.gz ATUAAEDNCJUQDN-UHFFFAOYSA-N 1 1 566.219 4.837 50 0 KJAAMO O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000006013483 552518741 /nfs/dbraw/zinc/51/87/41/552518741.db2.gz SWTWMKFFLUHKDX-UHFFFAOYSA-N 1 1 532.493 4.529 50 0 KJAAMO 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553318777 /nfs/dbraw/zinc/31/87/77/553318777.db2.gz WGGRPTGUNCWWHC-CLJLJLNGSA-N 1 1 513.704 4.574 50 0 KJAAMO CCCC[N@@H+](CC)CCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(SC)cc1 ZINC000009936896 553318784 /nfs/dbraw/zinc/31/87/84/553318784.db2.gz WGGRPTGUNCWWHC-IZZNHLLZSA-N 1 1 513.704 4.574 50 0 KJAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C[C@@H]2CCC(=O)N2CCCCC2)CC1 ZINC000011785347 553342621 /nfs/dbraw/zinc/34/26/21/553342621.db2.gz YCXYHKUIPGPNJK-WUFINQPMSA-N 1 1 504.719 4.501 50 0 KJAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CCC(=O)N2CCCCC2)CC1 ZINC000011785347 553342619 /nfs/dbraw/zinc/34/26/19/553342619.db2.gz YCXYHKUIPGPNJK-WUFINQPMSA-N 1 1 504.719 4.501 50 0 KJAAMO COc1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccc(C(F)(F)F)cc3)C4=O)CC2)c(OC)c1 ZINC000011785885 553342702 /nfs/dbraw/zinc/34/27/02/553342702.db2.gz LCEJZLXQINWYAH-UHFFFAOYSA-N 1 1 539.554 4.841 50 0 KJAAMO CC1(C)C[C@@H](C(=O)N2CCC(Oc3ccc(C[NH+]4CCN(c5ccccc5F)CC4)cc3)CC2)CCO1 ZINC000011786128 553342836 /nfs/dbraw/zinc/34/28/36/553342836.db2.gz GVYMGGCWFUUYJN-DEOSSOPVSA-N 1 1 509.666 4.723 50 0 KJAAMO CC1(C)C[C@H](C(=O)N2CCC(Oc3ccc(C[NH+]4CCN(c5ccccc5F)CC4)cc3)CC2)CCO1 ZINC000011786129 553342872 /nfs/dbraw/zinc/34/28/72/553342872.db2.gz GVYMGGCWFUUYJN-XMMPIXPASA-N 1 1 509.666 4.723 50 0 KJAAMO O=C1c2cccc(N3CC[NH+](Cc4ccc5c(c4)OCCO5)CC3)c2C(=O)N1Cc1ccc(C(F)(F)F)cc1 ZINC000011786279 553342809 /nfs/dbraw/zinc/34/28/09/553342809.db2.gz IQKSWEOWWXFRPI-UHFFFAOYSA-N 1 1 537.538 4.595 50 0 KJAAMO CCOc1ccccc1C[N@H+]1C[C@H](Sc2ccc(OC)cc2)C[C@H]1C(=O)NCc1cn2ccccc2n1 ZINC000011786334 553342845 /nfs/dbraw/zinc/34/28/45/553342845.db2.gz ZULJUKBSEWDBFS-FTJBHMTQSA-N 1 1 516.667 4.793 50 0 KJAAMO CCOc1ccccc1C[N@@H+]1C[C@H](Sc2ccc(OC)cc2)C[C@H]1C(=O)NCc1cn2ccccc2n1 ZINC000011786334 553342843 /nfs/dbraw/zinc/34/28/43/553342843.db2.gz ZULJUKBSEWDBFS-FTJBHMTQSA-N 1 1 516.667 4.793 50 0 KJAAMO O=C(NCCc1cccc(F)c1)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccc2c(c1)OCO2 ZINC000011789385 553343079 /nfs/dbraw/zinc/34/30/79/553343079.db2.gz GWVNSEWIDQMSDR-QPPBQGQZSA-N 1 1 518.614 4.525 50 0 KJAAMO O=C(NCCc1cccc(F)c1)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000011789385 553343078 /nfs/dbraw/zinc/34/30/78/553343078.db2.gz GWVNSEWIDQMSDR-QPPBQGQZSA-N 1 1 518.614 4.525 50 0 KJAAMO O=C1c2cccc(N3CC[NH+](Cc4c[nH]nc4-c4ccc(F)cc4)CC3)c2C(=O)N1Cc1ccccc1Cl ZINC000011789783 1066492374 /nfs/dbraw/zinc/49/23/74/1066492374.db2.gz QSIJHGVITKAXKQ-UHFFFAOYSA-N 1 1 530.003 4.988 50 0 KJAAMO COc1cc(C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccc(C(F)(F)F)cc3)C4=O)CC2)cc(OC)c1 ZINC000011791502 553343419 /nfs/dbraw/zinc/34/34/19/553343419.db2.gz PBPTUUNSAGQIOE-UHFFFAOYSA-N 1 1 539.554 4.841 50 0 KJAAMO CC(C)(CO)NC(=O)COc1ccc(-c2csc3ccccc23)cc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000011839291 553343466 /nfs/dbraw/zinc/34/34/66/553343466.db2.gz JIIXNEQBHLLHLU-UHFFFAOYSA-N 1 1 530.694 4.551 50 0 KJAAMO C[N@@H+](CCc1ccccc1)Cc1cccc(OC2CCN(C(=O)c3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000011882026 1066492849 /nfs/dbraw/zinc/49/28/49/1066492849.db2.gz GVDKSSYSZNFFAS-UHFFFAOYSA-N 1 1 513.682 4.881 50 0 KJAAMO C[N@@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3cccnc3)CC2)cc1 ZINC000011910477 553348660 /nfs/dbraw/zinc/34/86/60/553348660.db2.gz PNZYCSVBZUKQLO-UHFFFAOYSA-N 1 1 500.668 4.765 50 0 KJAAMO O=C(/C=C/c1cccc(F)c1)N1CCC(Oc2cccc(C[NH+]3CCN(c4ccccn4)CC3)c2)CC1 ZINC000011973480 1066488882 /nfs/dbraw/zinc/48/88/82/1066488882.db2.gz MVRVGZLIKKGOAS-ZHACJKMWSA-N 1 1 500.618 4.626 50 0 KJAAMO O=C(c1ccc2c(c1)OCO2)N1CCC(Oc2ccc(C[NH+]3CCN(c4ccccc4F)CC3)cc2)CC1 ZINC000011981414 553349724 /nfs/dbraw/zinc/34/97/24/553349724.db2.gz XPCDBGPWUWWCDD-UHFFFAOYSA-N 1 1 517.601 4.560 50 0 KJAAMO O=C1c2cccc(N3CC[NH+](Cc4ccc5nccnc5c4)CC3)c2C(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000012035830 553350241 /nfs/dbraw/zinc/35/02/41/553350241.db2.gz JDKWVKYOFFXNKQ-UHFFFAOYSA-N 1 1 531.538 4.767 50 0 KJAAMO O=C1c2cccc(N3CC[NH+](Cc4ccc5nccnc5c4)CC3)c2C(=O)N1Cc1ccc(C(F)(F)F)cc1 ZINC000012039639 1066493606 /nfs/dbraw/zinc/49/36/06/1066493606.db2.gz NZDCEVFHSKGECP-UHFFFAOYSA-N 1 1 531.538 4.767 50 0 KJAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccccc2F)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012040050 553350485 /nfs/dbraw/zinc/35/04/85/553350485.db2.gz BJTZXDKSXWHIBX-SQJMNOBHSA-N 1 1 507.572 4.810 50 0 KJAAMO COC(=O)CC[C@H]1C[N@H+](Cc2ccccc2F)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012040050 553350483 /nfs/dbraw/zinc/35/04/83/553350483.db2.gz BJTZXDKSXWHIBX-SQJMNOBHSA-N 1 1 507.572 4.810 50 0 KJAAMO COc1cc2[nH+]c(N(C)C)c(CN(CCc3ccc(F)cc3)C(=O)CCn3ccc(C)n3)cc2c(OC)c1OC ZINC000012041808 1066488728 /nfs/dbraw/zinc/48/87/28/1066488728.db2.gz WWEZQGXVFKPUJE-UHFFFAOYSA-N 1 1 549.647 4.632 50 0 KJAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2cccc(OC)c2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012132731 553351700 /nfs/dbraw/zinc/35/17/00/553351700.db2.gz UMTVKSCYFQQTIC-BKMJKUGQSA-N 1 1 519.608 4.680 50 0 KJAAMO COC(=O)CC[C@H]1C[N@H+](Cc2cccc(OC)c2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012132731 553351697 /nfs/dbraw/zinc/35/16/97/553351697.db2.gz UMTVKSCYFQQTIC-BKMJKUGQSA-N 1 1 519.608 4.680 50 0 KJAAMO CC[NH+](CC)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2ccc(Br)cc2s1 ZINC000012140851 553352227 /nfs/dbraw/zinc/35/22/27/553352227.db2.gz ULBCBHWZAYBMDJ-UHFFFAOYSA-N 1 1 524.506 4.598 50 0 KJAAMO O=C([C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000012151184 553352449 /nfs/dbraw/zinc/35/24/49/553352449.db2.gz RUENGVMXJFOOLC-AMGIVPHBSA-N 1 1 515.658 4.786 50 0 KJAAMO CCOc1cc(C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3cccc(Cl)c3)C4=O)CC2)ccc1OC ZINC000012152128 553352809 /nfs/dbraw/zinc/35/28/09/553352809.db2.gz JRXJZARJZYGAAN-UHFFFAOYSA-N 1 1 520.029 4.866 50 0 KJAAMO C[C@H](c1ccco1)[N@@H+](C)Cc1cccc(OC2CCN(C(=O)c3cccc(N4CCNC4=O)c3)CC2)c1 ZINC000012157138 1066493782 /nfs/dbraw/zinc/49/37/82/1066493782.db2.gz DFKMIISUQRXMAN-OAQYLSRUSA-N 1 1 502.615 4.686 50 0 KJAAMO C[C@@H](c1ccco1)[N@@H+](C)Cc1cccc(OC2CCN(C(=O)c3cccc(N4CCNC4=O)c3)CC2)c1 ZINC000012157143 1066488849 /nfs/dbraw/zinc/48/88/49/1066488849.db2.gz DFKMIISUQRXMAN-NRFANRHFSA-N 1 1 502.615 4.686 50 0 KJAAMO O=c1c(CN2CCC([N@H+]3CCc4ccccc4C3)CC2)cc2cc3c(cc2n1Cc1cccc(F)c1)OCO3 ZINC000012161467 1066493672 /nfs/dbraw/zinc/49/36/72/1066493672.db2.gz AICUWNLTHVPMFL-UHFFFAOYSA-N 1 1 525.624 4.940 50 0 KJAAMO C[N@@H+](Cc1ccoc1)Cc1cc(-c2cnccn2)ccc1OCC(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000012167288 1066493975 /nfs/dbraw/zinc/49/39/75/1066493975.db2.gz SUFLOBSDQBVUOG-UHFFFAOYSA-N 1 1 500.643 4.936 50 0 KJAAMO C[N@H+](Cc1ccoc1)Cc1cc(-c2cnccn2)ccc1OCC(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000012167288 1066493969 /nfs/dbraw/zinc/49/39/69/1066493969.db2.gz SUFLOBSDQBVUOG-UHFFFAOYSA-N 1 1 500.643 4.936 50 0 KJAAMO Cc1cc(C)n(CC(=O)N2CCOc3c(cc(-c4cccc(Cl)c4)cc3OC[C@@H]3CCC[N@H+](C)C3)C2)n1 ZINC000012190148 553353601 /nfs/dbraw/zinc/35/36/01/553353601.db2.gz IWEVFBLXRCTLQN-JOCHJYFZSA-N 1 1 523.077 4.962 50 0 KJAAMO Cc1cc(C)n(CC(=O)N2CCOc3c(cc(-c4cccc(Cl)c4)cc3OC[C@H]3CCC[N@H+](C)C3)C2)n1 ZINC000012190149 553353532 /nfs/dbraw/zinc/35/35/32/553353532.db2.gz IWEVFBLXRCTLQN-QFIPXVFZSA-N 1 1 523.077 4.962 50 0 KJAAMO CN(C)C(=O)CCC(=O)N1CCCC[C@H]1CCOc1cccc(C[N@@H+](C)Cc2cccc3cccnc32)c1 ZINC000012194331 553353912 /nfs/dbraw/zinc/35/39/12/553353912.db2.gz JSKOMZUBQUNLBV-MHZLTWQESA-N 1 1 516.686 4.885 50 0 KJAAMO CN(C)C(=O)CCC(=O)N1CCCC[C@@H]1CCOc1cccc(C[N@@H+](C)Cc2cccc3cccnc32)c1 ZINC000012194335 553354085 /nfs/dbraw/zinc/35/40/85/553354085.db2.gz JSKOMZUBQUNLBV-HHHXNRCGSA-N 1 1 516.686 4.885 50 0 KJAAMO COc1ccccc1C[NH+]1CCN(c2cccc3c2C(=O)N(Cc2nc(-c4ccccc4)cs2)C3=O)CC1 ZINC000012218566 1066494664 /nfs/dbraw/zinc/49/46/64/1066494664.db2.gz JSMHPAJKVFBRME-UHFFFAOYSA-N 1 1 524.646 4.937 50 0 KJAAMO CC(=O)n1cc(C[NH+]2CCN(c3cccc4c3C(=O)N(CCc3cccc(F)c3)C4=O)CC2)c2ccccc21 ZINC000012243025 1066494611 /nfs/dbraw/zinc/49/46/11/1066494611.db2.gz VDZKPKXGOOGPHG-UHFFFAOYSA-N 1 1 524.596 4.601 50 0 KJAAMO COc1ccc(CN2C(=O)c3cccc(N4CC[NH+](Cc5ccc(C(F)(F)F)cc5)CC4)c3C2=O)cc1 ZINC000012243427 1066494578 /nfs/dbraw/zinc/49/45/78/1066494578.db2.gz XISXBRAVSXFOQD-UHFFFAOYSA-N 1 1 509.528 4.832 50 0 KJAAMO COc1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccc(C(F)(F)F)cc3)C4=O)CC2)cc1 ZINC000012244956 553355031 /nfs/dbraw/zinc/35/50/31/553355031.db2.gz ICVVXROHAFJISL-UHFFFAOYSA-N 1 1 509.528 4.832 50 0 KJAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2cccc3ccccc32)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000012245427 553354984 /nfs/dbraw/zinc/35/49/84/553354984.db2.gz WFQNGBRCFASANC-XTEPFMGCSA-N 1 1 501.671 4.814 50 0 KJAAMO COc1cc(C)c(C[N@H+]2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NCc2cccnc2)cc1C ZINC000012246060 553355100 /nfs/dbraw/zinc/35/51/00/553355100.db2.gz SOOREOWCZVFCCL-RDGATRHJSA-N 1 1 501.656 4.635 50 0 KJAAMO COc1ccc(CN2C(=O)c3cccc(N4CC[NH+](Cc5ccc(OC(F)(F)F)cc5)CC4)c3C2=O)cc1 ZINC000012247737 553355247 /nfs/dbraw/zinc/35/52/47/553355247.db2.gz YYFZCYILQHOCRY-UHFFFAOYSA-N 1 1 525.527 4.712 50 0 KJAAMO O=C([C@H](Cc1ccccc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012318488 553358235 /nfs/dbraw/zinc/35/82/35/553358235.db2.gz ZHJKKJFZCXMXKG-OCBJUFRSSA-N 1 1 535.688 4.707 50 0 KJAAMO O=C(NCc1ccccc1Cl)c1ccc(C[N@@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)[nH]c1=O ZINC000012325874 1066495198 /nfs/dbraw/zinc/49/51/98/1066495198.db2.gz PYCIMWGBCVWPLK-NJIBMQBXSA-N 1 1 506.046 4.611 50 0 KJAAMO O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(C[N@@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)[nH]c1=O ZINC000012332424 1066495177 /nfs/dbraw/zinc/49/51/77/1066495177.db2.gz HIQFJJLKNVURNG-RECKVYTFSA-N 1 1 515.698 4.726 50 0 KJAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1 ZINC000012375221 553360981 /nfs/dbraw/zinc/36/09/81/553360981.db2.gz BHJLXMGVZGASSY-QFBILLFUSA-N 1 1 502.493 4.565 50 0 KJAAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1 ZINC000012375222 553361080 /nfs/dbraw/zinc/36/10/80/553361080.db2.gz BHJLXMGVZGASSY-VQIMIIECSA-N 1 1 502.493 4.565 50 0 KJAAMO O=C1C[C@H]([NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000012375997 553361270 /nfs/dbraw/zinc/36/12/70/553361270.db2.gz MJWZEVSPMGXXMN-VWLOTQADSA-N 1 1 519.439 4.729 50 0 KJAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@@H+](C)CC3)N(Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000012453627 553366878 /nfs/dbraw/zinc/36/68/78/553366878.db2.gz CFHJTZWHDAWFRR-RPWUZVMVSA-N 1 1 507.622 4.613 50 0 KJAAMO CCOc1cc(C[NH+]2CCN(c3cccc4c3C(=O)N([C@@H](C)c3cccs3)C4=O)CC2)ccc1OC ZINC000012455280 1066496584 /nfs/dbraw/zinc/49/65/84/1066496584.db2.gz HLVDEBXRGLFPPX-IBGZPJMESA-N 1 1 505.640 4.835 50 0 KJAAMO CCOc1cc(C[NH+]2CCN(c3cccc4c3C(=O)N([C@H](C)c3cccs3)C4=O)CC2)ccc1OC ZINC000012455283 1066496599 /nfs/dbraw/zinc/49/65/99/1066496599.db2.gz HLVDEBXRGLFPPX-LJQANCHMSA-N 1 1 505.640 4.835 50 0 KJAAMO COC(=O)CC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)CC[C@H]1[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000012509403 553382368 /nfs/dbraw/zinc/38/23/68/553382368.db2.gz ZVEVYCJMOXUDPE-XUZZJYLKSA-N 1 1 520.592 4.925 50 0 KJAAMO COC(=O)CC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)CC[C@H]1[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000012509403 553382366 /nfs/dbraw/zinc/38/23/66/553382366.db2.gz ZVEVYCJMOXUDPE-XUZZJYLKSA-N 1 1 520.592 4.925 50 0 KJAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@H]1N1CCc2cc(OC)c(OC)cc2C1 ZINC000012509403 553382364 /nfs/dbraw/zinc/38/23/64/553382364.db2.gz ZVEVYCJMOXUDPE-XUZZJYLKSA-N 1 1 520.592 4.925 50 0 KJAAMO CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3ccc(OC)cc3[nH]1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000012520278 553382572 /nfs/dbraw/zinc/38/25/72/553382572.db2.gz LXGZNNABXCXEKR-UHFFFAOYSA-N 1 1 502.662 4.700 50 0 KJAAMO CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2)CC1 ZINC000012529115 553385202 /nfs/dbraw/zinc/38/52/02/553385202.db2.gz QBJMFGDSEIZSDF-UHFFFAOYSA-N 1 1 517.695 4.655 50 0 KJAAMO COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000012555736 553393584 /nfs/dbraw/zinc/39/35/84/553393584.db2.gz OEHMFRWSHHDZFJ-JQIJEIRASA-N 1 1 508.622 4.914 50 0 KJAAMO CCCn1nc2ccccc2c1P(=NC(=S)N1CC[NH+](CC)CC1)(N1CCCCC1)N1CCCCC1 ZINC000012559874 553394179 /nfs/dbraw/zinc/39/41/79/553394179.db2.gz PEQZCIVUQOWCCM-UHFFFAOYSA-N 1 1 529.739 4.997 50 0 KJAAMO O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012562634 553394934 /nfs/dbraw/zinc/39/49/34/553394934.db2.gz HEXCLBXAEPFAST-UHFFFAOYSA-N 1 1 524.086 4.672 50 0 KJAAMO CCOC(=O)C1CC[NH+](C[C@@H](O)COc2ccc3c(c2)oc(C)c(Oc2ccc(Cl)cc2)c3=O)CC1 ZINC000012572603 553398338 /nfs/dbraw/zinc/39/83/38/553398338.db2.gz QYRNJUOPTNFHKI-HXUWFJFHSA-N 1 1 515.990 4.562 50 0 KJAAMO CCOC(=O)C1CC[NH+](C[C@H](O)COc2ccc3c(c2)oc(C)c(Oc2ccc(Cl)cc2)c3=O)CC1 ZINC000012572613 553398264 /nfs/dbraw/zinc/39/82/64/553398264.db2.gz QYRNJUOPTNFHKI-FQEVSTJZSA-N 1 1 515.990 4.562 50 0 KJAAMO O=C(COCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1cccc(Cl)c1Cl ZINC000012630377 553405569 /nfs/dbraw/zinc/40/55/69/553405569.db2.gz VNIRLQPAJCYKQK-UHFFFAOYSA-N 1 1 512.437 4.882 50 0 KJAAMO CSCC[C@@H](NC(=O)c1ccccc1C)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013022750 553433398 /nfs/dbraw/zinc/43/33/98/553433398.db2.gz BFNTURXMJQRUTO-HHHXNRCGSA-N 1 1 501.696 4.780 50 0 KJAAMO CSCC[C@H](NC(=O)c1ccccc1C)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013022752 553433439 /nfs/dbraw/zinc/43/34/39/553433439.db2.gz BFNTURXMJQRUTO-MHZLTWQESA-N 1 1 501.696 4.780 50 0 KJAAMO O=C(CCNC(=O)c1ccc(Br)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013100790 553447733 /nfs/dbraw/zinc/44/77/33/553447733.db2.gz XEQXMFIKNSEULN-UHFFFAOYSA-N 1 1 506.444 4.503 50 0 KJAAMO O=C(c1ccc(-n2nncc2-c2ccc(Br)cc2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013128658 553450064 /nfs/dbraw/zinc/45/00/64/553450064.db2.gz TXKQEFLZBWKLLH-UHFFFAOYSA-N 1 1 502.416 4.655 50 0 KJAAMO CCc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3)C2=O)cc1 ZINC000013149304 553456380 /nfs/dbraw/zinc/45/63/80/553456380.db2.gz JYHWXISYTORGRY-UHFFFAOYSA-N 1 1 529.040 4.643 50 0 KJAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000013555625 553471141 /nfs/dbraw/zinc/47/11/41/553471141.db2.gz DHYCXBQSTSCQEX-BAAZAXTHSA-N 1 1 512.009 4.971 50 0 KJAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000013555625 553471139 /nfs/dbraw/zinc/47/11/39/553471139.db2.gz DHYCXBQSTSCQEX-BAAZAXTHSA-N 1 1 512.009 4.971 50 0 KJAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000013556556 553471085 /nfs/dbraw/zinc/47/10/85/553471085.db2.gz VDKCXBMFXZEWES-BAAZAXTHSA-N 1 1 512.009 4.971 50 0 KJAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000013556556 553471084 /nfs/dbraw/zinc/47/10/84/553471084.db2.gz VDKCXBMFXZEWES-BAAZAXTHSA-N 1 1 512.009 4.971 50 0 KJAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000013557387 553471300 /nfs/dbraw/zinc/47/13/00/553471300.db2.gz SQLALHZTJALFDD-BAAZAXTHSA-N 1 1 512.009 4.971 50 0 KJAAMO O=C([C@H](Cc1ccccc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013598773 553477406 /nfs/dbraw/zinc/47/74/06/553477406.db2.gz ZHJKKJFZCXMXKG-JBOQNHBVSA-N 1 1 535.688 4.707 50 0 KJAAMO CC(=O)Oc1cc(C)cc2oc(=O)c(CC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(C)c12 ZINC000013624978 553478266 /nfs/dbraw/zinc/47/82/66/553478266.db2.gz BZQVIZWQKOKLEQ-UHFFFAOYSA-N 1 1 524.617 4.811 50 0 KJAAMO CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[N@H+](Cc1ccccc1)C3 ZINC000013763490 553488763 /nfs/dbraw/zinc/48/87/63/553488763.db2.gz LWNHIHGTIBCCTF-UHFFFAOYSA-N 1 1 521.664 4.669 50 0 KJAAMO CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000013763490 553488760 /nfs/dbraw/zinc/48/87/60/553488760.db2.gz LWNHIHGTIBCCTF-UHFFFAOYSA-N 1 1 521.664 4.669 50 0 KJAAMO O=C(CCC(=O)N1CC[NH+](CCOc2cccc3ccccc32)CC1)Nc1nnc(C2CCCCC2)s1 ZINC000013770470 553489480 /nfs/dbraw/zinc/48/94/80/553489480.db2.gz FUWHPRAMKSPOPW-UHFFFAOYSA-N 1 1 521.687 4.681 50 0 KJAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(c3ccc(C)c(C)c3NC2=O)[C@]12c1ccccc1NC2=O ZINC000013813841 553492681 /nfs/dbraw/zinc/49/26/81/553492681.db2.gz QEBRGKUXJSEWSI-BJKAILTGSA-N 1 1 521.617 4.717 50 0 KJAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(c3cc(C)cc(C)c3NC2=O)[C@]12c1ccccc1NC2=O ZINC000013814473 553492688 /nfs/dbraw/zinc/49/26/88/553492688.db2.gz SFJVDJKWVJXRMO-BJKAILTGSA-N 1 1 521.617 4.717 50 0 KJAAMO Cc1nc2sc3c(nc(N4CC[NH+](C)CC4)n(-c4cccc(Cl)c4)c3=O)c2c2c1COC(C)(C)C2 ZINC000013817430 553492919 /nfs/dbraw/zinc/49/29/19/553492919.db2.gz KCVXUYHWCFSRDY-UHFFFAOYSA-N 1 1 510.063 4.560 50 0 KJAAMO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000013987444 553499015 /nfs/dbraw/zinc/49/90/15/553499015.db2.gz DTCIWPFSDLAQNC-UHFFFAOYSA-N 1 1 526.102 4.918 50 0 KJAAMO O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014075297 553499844 /nfs/dbraw/zinc/49/98/44/553499844.db2.gz KETGGCCJSZSXPH-UHFFFAOYSA-N 1 1 517.695 4.799 50 0 KJAAMO Cc1cc(C)cc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@@H+](Cc3ccc(O)cc3)C2)c1 ZINC000014531249 553517429 /nfs/dbraw/zinc/51/74/29/553517429.db2.gz UAJLNCWLGBJILK-WUFINQPMSA-N 1 1 511.666 4.891 50 0 KJAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)NCc3ccc(C)cc3)C2)cc1OC ZINC000014539363 553518285 /nfs/dbraw/zinc/51/82/85/553518285.db2.gz FANPQKSDRSIKKJ-BJKOFHAPSA-N 1 1 519.617 4.545 50 0 KJAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)N3CCCC3)C[C@H](COc3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000014542233 553518861 /nfs/dbraw/zinc/51/88/61/553518861.db2.gz AEHPLCJXICPUDI-LEWJYISDSA-N 1 1 506.565 4.862 50 0 KJAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCCc2c[nH]c3ccccc23)C[N@@H+](CCc2ccccc2)C1 ZINC000014731487 553519365 /nfs/dbraw/zinc/51/93/65/553519365.db2.gz WZJYDEYKENLPMX-LOSJGSFVSA-N 1 1 512.629 4.785 50 0 KJAAMO O=C(NCCc1cnc[nH]1)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014741656 1067158642 /nfs/dbraw/zinc/15/86/42/1067158642.db2.gz DCOIKWMFPWURHD-PWUYWRBVSA-N 1 1 508.666 4.928 50 0 KJAAMO O=C(NCCc1cnc[nH]1)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014741656 1067158637 /nfs/dbraw/zinc/15/86/37/1067158637.db2.gz DCOIKWMFPWURHD-PWUYWRBVSA-N 1 1 508.666 4.928 50 0 KJAAMO O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014741656 1067158632 /nfs/dbraw/zinc/15/86/32/1067158632.db2.gz DCOIKWMFPWURHD-PWUYWRBVSA-N 1 1 508.666 4.928 50 0 KJAAMO COc1ccccc1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](CCc2ccccc2)C1 ZINC000014743874 553519947 /nfs/dbraw/zinc/51/99/47/553519947.db2.gz FEVRLDREKBXKGW-WUFINQPMSA-N 1 1 511.666 4.620 50 0 KJAAMO O=C(NCCCn1ccnc1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014744430 1067158679 /nfs/dbraw/zinc/15/86/79/1067158679.db2.gz GADHZSMBCYWWCQ-RPLLCQBOSA-N 1 1 500.618 4.899 50 0 KJAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NC3CCCCC3)C2)cc1OC ZINC000014749061 553520349 /nfs/dbraw/zinc/52/03/49/553520349.db2.gz PGJONIOKIZZMOA-LOSJGSFVSA-N 1 1 519.686 4.718 50 0 KJAAMO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@@H+](CCc3ccccc3)C2)cc1 ZINC000014751622 553520514 /nfs/dbraw/zinc/52/05/14/553520514.db2.gz JRQRJWOGYPJIOX-WUFINQPMSA-N 1 1 511.666 4.620 50 0 KJAAMO COCCCNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000014753041 1067160348 /nfs/dbraw/zinc/16/03/48/1067160348.db2.gz SWROVIINPDKDDI-VQTJNVASSA-N 1 1 503.565 4.857 50 0 KJAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(F)cc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000014882851 553521103 /nfs/dbraw/zinc/52/11/03/553521103.db2.gz IXYMNMIIENRJQH-SQJMNOBHSA-N 1 1 507.572 4.810 50 0 KJAAMO COC(=O)CC[C@H]1C[N@H+](Cc2ccc(F)cc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000014882851 553521102 /nfs/dbraw/zinc/52/11/02/553521102.db2.gz IXYMNMIIENRJQH-SQJMNOBHSA-N 1 1 507.572 4.810 50 0 KJAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2c(OC)ccc3ccccc32)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000014884266 553521327 /nfs/dbraw/zinc/52/13/27/553521327.db2.gz FVHRMURXTWSHHB-RBJSKKJNSA-N 1 1 519.661 4.953 50 0 KJAAMO O=C(CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCOCC1)NCc1ccc(C(F)(F)F)cc1 ZINC000014884624 553521305 /nfs/dbraw/zinc/52/13/05/553521305.db2.gz QFJHRWOJDMRTFJ-WIOPSUGQSA-N 1 1 524.027 4.978 50 0 KJAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1)NCc1ccc(C(F)(F)F)cc1 ZINC000014884624 553521303 /nfs/dbraw/zinc/52/13/03/553521303.db2.gz QFJHRWOJDMRTFJ-WIOPSUGQSA-N 1 1 524.027 4.978 50 0 KJAAMO COC(=O)CC[C@H]1CN(Cc2ccc(C)cc2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000014888065 553521350 /nfs/dbraw/zinc/52/13/50/553521350.db2.gz BAVZFWOPJPUZLZ-JYFHCDHNSA-N 1 1 503.609 4.980 50 0 KJAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000014888065 553521348 /nfs/dbraw/zinc/52/13/48/553521348.db2.gz BAVZFWOPJPUZLZ-JYFHCDHNSA-N 1 1 503.609 4.980 50 0 KJAAMO COc1cc2c(cc1Br)n(C)c(COc1ccc(Cl)cc1)c2C(=O)N1CC[NH+](C)CC1 ZINC000014943611 553521682 /nfs/dbraw/zinc/52/16/82/553521682.db2.gz DLRMNGIZPSMQRN-UHFFFAOYSA-N 1 1 506.828 4.569 50 0 KJAAMO O=C(OCc1ccccc1)[C@@]12CCC[N@H+]1[C@@H](c1ccc3ccccc3n1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000014944315 553521979 /nfs/dbraw/zinc/52/19/79/553521979.db2.gz VDIVWQCPHRJJKY-WPQKMFINSA-N 1 1 517.585 4.673 50 0 KJAAMO O=C(OCc1ccccc1)[C@@]12CCC[N@@H+]1[C@@H](c1ccc3ccccc3n1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000014944315 553521977 /nfs/dbraw/zinc/52/19/77/553521977.db2.gz VDIVWQCPHRJJKY-WPQKMFINSA-N 1 1 517.585 4.673 50 0 KJAAMO O=C(OCc1ccccc1)[C@]12CCC[N@H+]1[C@@H](c1ccc3ccccc3n1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000014944317 553521933 /nfs/dbraw/zinc/52/19/33/553521933.db2.gz VDIVWQCPHRJJKY-CKXMCULTSA-N 1 1 517.585 4.673 50 0 KJAAMO O=C(OCc1ccccc1)[C@]12CCC[N@@H+]1[C@@H](c1ccc3ccccc3n1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000014944317 553521930 /nfs/dbraw/zinc/52/19/30/553521930.db2.gz VDIVWQCPHRJJKY-CKXMCULTSA-N 1 1 517.585 4.673 50 0 KJAAMO C[N@@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3ccncc3)CC2)cc1 ZINC000014961023 553522763 /nfs/dbraw/zinc/52/27/63/553522763.db2.gz WFKARISHGLKRKJ-UHFFFAOYSA-N 1 1 500.668 4.765 50 0 KJAAMO COc1cc2[nH+]c(N(C)C)c(CN(CCc3ccc(F)cc3)C(=O)c3ccco3)cc2c(OC)c1OC ZINC000014967852 553522743 /nfs/dbraw/zinc/52/27/43/553522743.db2.gz PBIYYLFQRJAIJH-UHFFFAOYSA-N 1 1 507.562 4.944 50 0 KJAAMO Cc1ccn(CCC(=O)N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@@H]3CCC[N@H+](C)C3)C2)n1 ZINC000014967924 553522601 /nfs/dbraw/zinc/52/26/01/553522601.db2.gz LNZRWUCSQDCRHI-JOCHJYFZSA-N 1 1 508.688 4.760 50 0 KJAAMO Cc1ccn(CCC(=O)N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@H]3CCC[N@H+](C)C3)C2)n1 ZINC000014967929 553522592 /nfs/dbraw/zinc/52/25/92/553522592.db2.gz LNZRWUCSQDCRHI-QFIPXVFZSA-N 1 1 508.688 4.760 50 0 KJAAMO COc1ccc(S(=O)(=O)N2CCC(Oc3cccc(C[N@@H+](C)Cc4ccsc4)c3)CC2)cc1OC ZINC000014974716 1066495356 /nfs/dbraw/zinc/49/53/56/1066495356.db2.gz JDCJESILZHNNAI-UHFFFAOYSA-N 1 1 516.685 4.629 50 0 KJAAMO COCc1c(C(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)c(=O)cc(C)n1CCc1cccc(Cl)c1 ZINC000014986223 553523438 /nfs/dbraw/zinc/52/34/38/553523438.db2.gz LWFNITXCCHUXFR-HHHXNRCGSA-N 1 1 534.100 4.515 50 0 KJAAMO COCc1c(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c(=O)cc(C)n1CCc1cccc(Cl)c1 ZINC000014986225 553523565 /nfs/dbraw/zinc/52/35/65/553523565.db2.gz LWFNITXCCHUXFR-MHZLTWQESA-N 1 1 534.100 4.515 50 0 KJAAMO COc1cc2[nH+]c(N(C)C)c(CN(CCc3ccc(F)cc3)C(=O)c3cncs3)cc2c(OC)c1OC ZINC000014988467 1067160952 /nfs/dbraw/zinc/16/09/52/1067160952.db2.gz GNKIXCCQTPFZTP-UHFFFAOYSA-N 1 1 524.618 4.807 50 0 KJAAMO Cc1nonc1CN(C)C(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000014989586 553523800 /nfs/dbraw/zinc/52/38/00/553523800.db2.gz NPOQZJZJJYQHIH-IRLDBZIGSA-N 1 1 508.541 4.930 50 0 KJAAMO Cc1nonc1CN(C)C(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000014989586 553523798 /nfs/dbraw/zinc/52/37/98/553523798.db2.gz NPOQZJZJJYQHIH-IRLDBZIGSA-N 1 1 508.541 4.930 50 0 KJAAMO O=C(COc1ccc(-c2ncccn2)cc1C[NH+]1CCN(c2ccccc2)CC1)NCc1ccc(Cl)cc1 ZINC000014991034 553523916 /nfs/dbraw/zinc/52/39/16/553523916.db2.gz GHHPQFMHLTWWDO-UHFFFAOYSA-N 1 1 528.056 4.814 50 0 KJAAMO COC(=O)[C@@H]1C[C@@H](NC(=O)c2cccc(Cn3nc(C)cc3C)c2)C[N@H+]1CCC1=C(C)CCCC1(C)C ZINC000014994731 1067160743 /nfs/dbraw/zinc/16/07/43/1067160743.db2.gz DMLPWROXCZBMNO-VPUSJEBWSA-N 1 1 506.691 4.811 50 0 KJAAMO COC(=O)[C@@H]1C[C@@H](NC(=O)c2cccc(Cn3nc(C)cc3C)c2)C[N@@H+]1CCC1=C(C)CCCC1(C)C ZINC000014994731 1067160738 /nfs/dbraw/zinc/16/07/38/1067160738.db2.gz DMLPWROXCZBMNO-VPUSJEBWSA-N 1 1 506.691 4.811 50 0 KJAAMO C[N@@H+](Cc1ccsc1)Cc1cccc(OC2CCN(C(=O)c3cccc(N4CCNC4=O)c3)CC2)c1 ZINC000014995799 1067160588 /nfs/dbraw/zinc/16/05/88/1067160588.db2.gz KYBOQGSCJOYPOS-UHFFFAOYSA-N 1 1 504.656 4.593 50 0 KJAAMO C[N@@H+](Cc1ccsc1)Cc1cccc(OC2CCN(C(=O)Cc3ccc(N4CCNC4=O)cc3)CC2)c1 ZINC000014996178 1066496082 /nfs/dbraw/zinc/49/60/82/1066496082.db2.gz PAGJNPVCWWTWET-UHFFFAOYSA-N 1 1 518.683 4.522 50 0 KJAAMO O=C1c2cccc(N3CC[NH+](Cc4cccn4-c4ccccn4)CC3)c2C(=O)N1Cc1ccccc1Cl ZINC000015000249 553524993 /nfs/dbraw/zinc/52/49/93/553524993.db2.gz ZYZUKJYOQJUXJP-UHFFFAOYSA-N 1 1 512.013 4.644 50 0 KJAAMO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cc4cc(C)ccc4n(Cc4cccc(F)c4)c3=O)CC2)C1 ZINC000015000802 553524899 /nfs/dbraw/zinc/52/48/99/553524899.db2.gz GRJVQGJMVONKOH-XMMPIXPASA-N 1 1 519.661 4.737 50 0 KJAAMO CCOC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cc4cc(C)ccc4n(Cc4cccc(F)c4)c3=O)CC2)C1 ZINC000015000805 553524999 /nfs/dbraw/zinc/52/49/99/553524999.db2.gz GRJVQGJMVONKOH-DEOSSOPVSA-N 1 1 519.661 4.737 50 0 KJAAMO C[N@@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3cncs3)CC2)cc1 ZINC000015003571 553525225 /nfs/dbraw/zinc/52/52/25/553525225.db2.gz GWKUKDICSGPEQW-UHFFFAOYSA-N 1 1 506.697 4.827 50 0 KJAAMO C[N@@H+](Cc1ccc(OCCN2CCN(C(=O)[C@@H]3CCOC(C)(C)C3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000015005335 553525155 /nfs/dbraw/zinc/52/51/55/553525155.db2.gz DIXZQZQPLJWHMW-MUUNZHRXSA-N 1 1 530.713 4.595 50 0 KJAAMO C[N@@H+](Cc1ccc(OCCN2CCN(C(=O)[C@H]3CCOC(C)(C)C3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000015005338 553525074 /nfs/dbraw/zinc/52/50/74/553525074.db2.gz DIXZQZQPLJWHMW-NDEPHWFRSA-N 1 1 530.713 4.595 50 0 KJAAMO C[N@@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000015005551 553525090 /nfs/dbraw/zinc/52/50/90/553525090.db2.gz ZHHKKWMVQQJKLG-UHFFFAOYSA-N 1 1 500.668 4.765 50 0 KJAAMO COC(=O)CC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)CC[C@H]1[NH+]1CCN(c2ccccc2OC)CC1 ZINC000015067739 553527350 /nfs/dbraw/zinc/52/73/50/553527350.db2.gz SVJGVIPIFAQVDK-LADGPHEKSA-N 1 1 519.608 4.680 50 0 KJAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000015067739 553527347 /nfs/dbraw/zinc/52/73/47/553527347.db2.gz SVJGVIPIFAQVDK-LADGPHEKSA-N 1 1 519.608 4.680 50 0 KJAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@@H+](C)CC3)N(Cc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000015071173 553527309 /nfs/dbraw/zinc/52/73/09/553527309.db2.gz QEXMVKCKAWZELK-RPWUZVMVSA-N 1 1 507.622 4.613 50 0 KJAAMO COC(=O)CC[C@H]1C[N@H+](C2Cc3ccccc3C2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000015072524 553527247 /nfs/dbraw/zinc/52/72/47/553527247.db2.gz MAESTVCIVNORAK-WNCULLNHSA-N 1 1 515.620 4.639 50 0 KJAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@@H+](C)CC3)N(Cc3ccccc3C(F)(F)F)C2)cc1 ZINC000015072897 553527326 /nfs/dbraw/zinc/52/73/26/553527326.db2.gz DLRSAAFQPMDAQZ-VWNXMTODSA-N 1 1 507.622 4.613 50 0 KJAAMO COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC[C@@H]4CCC[N@H+]5CCCC[C@@H]45)cc3n2)cc1OC ZINC000015276445 553530465 /nfs/dbraw/zinc/53/04/65/553530465.db2.gz KOHCDUZPFFPZTD-PXNSSMCTSA-N 1 1 518.536 4.854 50 0 KJAAMO COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC[C@H]4CCC[N@H+]5CCCC[C@@H]45)cc3n2)cc1OC ZINC000015276447 553530520 /nfs/dbraw/zinc/53/05/20/553530520.db2.gz KOHCDUZPFFPZTD-XLIONFOSSA-N 1 1 518.536 4.854 50 0 KJAAMO COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@@H]4CCC[N@H+]5CCCC[C@@H]45)c3n2)cc1OC ZINC000015276485 553530502 /nfs/dbraw/zinc/53/05/02/553530502.db2.gz XRJBVOWVZSJZLM-PXNSSMCTSA-N 1 1 518.536 4.854 50 0 KJAAMO COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@H]4CCC[N@H+]5CCCC[C@@H]45)c3n2)cc1OC ZINC000015276487 553530597 /nfs/dbraw/zinc/53/05/97/553530597.db2.gz XRJBVOWVZSJZLM-XLIONFOSSA-N 1 1 518.536 4.854 50 0 KJAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1 ZINC000015318865 553531547 /nfs/dbraw/zinc/53/15/47/553531547.db2.gz BHJLXMGVZGASSY-LPHOPBHVSA-N 1 1 502.493 4.565 50 0 KJAAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1 ZINC000015318868 553531543 /nfs/dbraw/zinc/53/15/43/553531543.db2.gz BHJLXMGVZGASSY-APWZRJJASA-N 1 1 502.493 4.565 50 0 KJAAMO O=C(CCN1C(=O)c2cccc3cccc(c32)C1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000015441257 553533322 /nfs/dbraw/zinc/53/33/22/553533322.db2.gz NMALUPSEXDKIGR-UHFFFAOYSA-N 1 1 503.602 4.760 50 0 KJAAMO O=C(C1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015864567 553538822 /nfs/dbraw/zinc/53/88/22/553538822.db2.gz RYKSXWAJCKJUCO-UHFFFAOYSA-N 1 1 526.504 4.528 50 0 KJAAMO COc1ccc(/C=C2\Sc3ccc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3N(C)C2=O)cc1OC ZINC000015935294 553542846 /nfs/dbraw/zinc/54/28/46/553542846.db2.gz BQBSWFQFTLGHPF-VEILYXNESA-N 1 1 529.662 4.771 50 0 KJAAMO COc1ccc(-c2nc(CN3CCC(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)CC3)c(C)o2)cc1OC ZINC000015942328 553543677 /nfs/dbraw/zinc/54/36/77/553543677.db2.gz AJAVVUSBEFBYFK-UHFFFAOYSA-N 1 1 532.685 4.660 50 0 KJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CSc1nc2nc(C)c(Cc3ccccc3Cl)c(C)n2n1 ZINC000015942418 553543708 /nfs/dbraw/zinc/54/37/08/553543708.db2.gz QGQUDOUKTKQQPU-OAQYLSRUSA-N 1 1 515.127 4.848 50 0 KJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CSc1nc2nc(C)c(Cc3ccccc3Cl)c(C)n2n1 ZINC000015942420 553543730 /nfs/dbraw/zinc/54/37/30/553543730.db2.gz QGQUDOUKTKQQPU-NRFANRHFSA-N 1 1 515.127 4.848 50 0 KJAAMO CCOC(=O)N1CCc2c(sc(NC(=O)C[NH+]3CCCCCC3)c2C(=O)Nc2cccc(Cl)c2)C1 ZINC000015946154 553544433 /nfs/dbraw/zinc/54/44/33/553544433.db2.gz YVJBXMHIRPCHEL-UHFFFAOYSA-N 1 1 519.067 4.983 50 0 KJAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)cc(I)c1OC ZINC000015947056 553545136 /nfs/dbraw/zinc/54/51/36/553545136.db2.gz RHNNDCFNTCRUEL-SFHVURJKSA-N 1 1 513.401 4.565 50 0 KJAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)cc(I)c1OC ZINC000015947058 553545176 /nfs/dbraw/zinc/54/51/76/553545176.db2.gz RHNNDCFNTCRUEL-GOSISDBHSA-N 1 1 513.401 4.565 50 0 KJAAMO O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000015987270 553549250 /nfs/dbraw/zinc/54/92/50/553549250.db2.gz ZCXXUEHMDPRKLK-KEZOAJOQSA-N 1 1 514.379 4.603 50 0 KJAAMO O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000015987270 553549249 /nfs/dbraw/zinc/54/92/49/553549249.db2.gz ZCXXUEHMDPRKLK-KEZOAJOQSA-N 1 1 514.379 4.603 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000015989437 553549265 /nfs/dbraw/zinc/54/92/65/553549265.db2.gz ABVCTJBTGVEOCP-KEZOAJOQSA-N 1 1 503.480 4.860 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000015989437 553549264 /nfs/dbraw/zinc/54/92/64/553549264.db2.gz ABVCTJBTGVEOCP-KEZOAJOQSA-N 1 1 503.480 4.860 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000015989907 553549247 /nfs/dbraw/zinc/54/92/47/553549247.db2.gz YKBKMZGTVSOQOD-LIONHTAISA-N 1 1 517.507 4.855 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000015989907 553549246 /nfs/dbraw/zinc/54/92/46/553549246.db2.gz YKBKMZGTVSOQOD-LIONHTAISA-N 1 1 517.507 4.855 50 0 KJAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000016001416 553549915 /nfs/dbraw/zinc/54/99/15/553549915.db2.gz KDRKSHRNDJYHBD-LIONHTAISA-N 1 1 517.944 4.642 50 0 KJAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000016001416 553549914 /nfs/dbraw/zinc/54/99/14/553549914.db2.gz KDRKSHRNDJYHBD-LIONHTAISA-N 1 1 517.944 4.642 50 0 KJAAMO Cc1cccc2c1NC(=O)[C@]21C(=C(O)c2ccc(OC(C)C)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[N@H+]21 ZINC000016025725 553551226 /nfs/dbraw/zinc/55/12/26/553551226.db2.gz SHZNRDYZSOJXCP-AFSZJOKHSA-N 1 1 521.617 4.797 50 0 biogenic KJAAMO Cc1cccc2c1NC(=O)[C@]21C(=C(O)c2ccc(OC(C)C)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[N@@H+]21 ZINC000016025725 553551222 /nfs/dbraw/zinc/55/12/22/553551222.db2.gz SHZNRDYZSOJXCP-AFSZJOKHSA-N 1 1 521.617 4.797 50 0 biogenic KJAAMO Cc1cccc2c1NC(=O)[C@]21[C@@H](C(=O)c2ccc(OC(C)C)cc2)[C@@]2(c3ccccc3NC2=O)[C@@H]2CCC[N@H+]21 ZINC000016025725 553551221 /nfs/dbraw/zinc/55/12/21/553551221.db2.gz SHZNRDYZSOJXCP-AFSZJOKHSA-N 1 1 521.617 4.797 50 0 biogenic KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016033615 553551696 /nfs/dbraw/zinc/55/16/96/553551696.db2.gz PWMYXGFYMMHRTG-KEZOAJOQSA-N 1 1 509.528 4.988 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016033615 553551695 /nfs/dbraw/zinc/55/16/95/553551695.db2.gz PWMYXGFYMMHRTG-KEZOAJOQSA-N 1 1 509.528 4.988 50 0 KJAAMO COc1cc(OC)nc(COc2ccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2)n1 ZINC000016080088 553555146 /nfs/dbraw/zinc/55/51/46/553555146.db2.gz YLIAAIHKABYXKQ-UHFFFAOYSA-N 1 1 524.621 4.620 50 0 KJAAMO COc1cc(OC)nc([C@@H]2CCCC[C@@H]2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000016080172 553555117 /nfs/dbraw/zinc/55/51/17/553555117.db2.gz MHEFGSINRQRZGR-RPBOFIJWSA-N 1 1 500.643 4.701 50 0 KJAAMO COc1cc(OC)nc([C@H]2CCCC[C@@H]2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000016080174 553555112 /nfs/dbraw/zinc/55/51/12/553555112.db2.gz MHEFGSINRQRZGR-DQEYMECFSA-N 1 1 500.643 4.701 50 0 KJAAMO COc1cc(OC)nc([C@@H]2CCCC[C@H]2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000016080176 553555208 /nfs/dbraw/zinc/55/52/08/553555208.db2.gz MHEFGSINRQRZGR-JWQCQUIFSA-N 1 1 500.643 4.701 50 0 KJAAMO COc1cc(OC)nc([C@H]2CCCC[C@H]2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000016080178 553555159 /nfs/dbraw/zinc/55/51/59/553555159.db2.gz MHEFGSINRQRZGR-LOSJGSFVSA-N 1 1 500.643 4.701 50 0 KJAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(I)ccc3Cl)cc2Cl)CC1 ZINC000016319645 553560093 /nfs/dbraw/zinc/56/00/93/553560093.db2.gz NUQVFEAQAPIELM-UHFFFAOYSA-N 1 1 504.199 4.992 50 0 KJAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4ccc(-c5ccccc5)cc4)CC3)n2)cc1 ZINC000017012804 553586291 /nfs/dbraw/zinc/58/62/91/553586291.db2.gz JASDJFBCWVEMFQ-UHFFFAOYSA-N 1 1 515.639 4.715 50 0 KJAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4ccc5c(c4)Cc4ccccc4-5)CC3)n2)cc1 ZINC000017012819 553586202 /nfs/dbraw/zinc/58/62/02/553586202.db2.gz RSSPARJLELXCBB-UHFFFAOYSA-N 1 1 527.650 4.619 50 0 KJAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4ccc5c(c4)Cc4ccccc4-5)CC3)n2)cc1 ZINC000017042706 553587141 /nfs/dbraw/zinc/58/71/41/553587141.db2.gz AAPUQOFMHLBABY-UHFFFAOYSA-N 1 1 511.651 4.919 50 0 KJAAMO O=C(Cc1csc(NC(=O)NC2CCCC2)n1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000017178347 553590102 /nfs/dbraw/zinc/59/01/02/553590102.db2.gz KASKCOFJXAINRM-UHFFFAOYSA-N 1 1 503.672 4.684 50 0 KJAAMO O=C(Cc1csc(Nc2[nH]c(=S)nc3ccccc32)n1)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000017337624 553593607 /nfs/dbraw/zinc/59/36/07/553593607.db2.gz LIDOOAJDRNFUAK-UHFFFAOYSA-N 1 1 537.690 4.503 50 0 KJAAMO CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccn4)cc(C(=O)NCC[N@@H+](C)Cc4ccccc4)c3c2)CC1 ZINC000017357227 553594571 /nfs/dbraw/zinc/59/45/71/553594571.db2.gz RJWIXZYMUAWTFI-UHFFFAOYSA-N 1 1 557.720 4.579 50 0 KJAAMO O=C([C@H](Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000018142582 553605976 /nfs/dbraw/zinc/60/59/76/553605976.db2.gz ZHJKKJFZCXMXKG-DTXPUJKBSA-N 1 1 535.688 4.707 50 0 KJAAMO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000019369918 553614079 /nfs/dbraw/zinc/61/40/79/553614079.db2.gz XESODQRWBFMKEB-CBYBEUNKSA-N 1 1 500.683 4.679 50 0 biogenic KJAAMO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000019369920 553614137 /nfs/dbraw/zinc/61/41/37/553614137.db2.gz XESODQRWBFMKEB-HYMOCLBVSA-N 1 1 500.683 4.679 50 0 biogenic KJAAMO O=C([C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019720156 553615862 /nfs/dbraw/zinc/61/58/62/553615862.db2.gz PFTVZGKFMRANIF-SSEXGKCCSA-N 1 1 529.640 4.828 50 0 KJAAMO O=C([C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019720157 553615748 /nfs/dbraw/zinc/61/57/48/553615748.db2.gz PFTVZGKFMRANIF-PMERELPUSA-N 1 1 529.640 4.828 50 0 KJAAMO Cc1c(F)cccc1NC(=O)COc1ccc(-c2cccs2)cc1C[NH+]1CCN(c2ncccn2)CC1 ZINC000019739942 553615651 /nfs/dbraw/zinc/61/56/51/553615651.db2.gz OIMLFBZEXYUVGT-UHFFFAOYSA-N 1 1 517.630 4.992 50 0 KJAAMO CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@H+](Cc1ccccc1)C3 ZINC000019782255 553616405 /nfs/dbraw/zinc/61/64/05/553616405.db2.gz ZSEZVHLCQLLKAH-UHFFFAOYSA-N 1 1 505.665 4.969 50 0 KJAAMO CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000019782255 553616404 /nfs/dbraw/zinc/61/64/04/553616404.db2.gz ZSEZVHLCQLLKAH-UHFFFAOYSA-N 1 1 505.665 4.969 50 0 KJAAMO Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019793579 553616640 /nfs/dbraw/zinc/61/66/40/553616640.db2.gz HCLYJIDICXETJK-UHFFFAOYSA-N 1 1 508.666 4.580 50 0 KJAAMO CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@H+](CCc1ccccc1)C3 ZINC000019798762 553617203 /nfs/dbraw/zinc/61/72/03/553617203.db2.gz QSCYUBCDFRZJSG-UHFFFAOYSA-N 1 1 505.665 4.703 50 0 KJAAMO C[C@@H](NC(=O)c1ccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)[nH]c1=O)c1cccc2ccccc21 ZINC000019811543 1066371973 /nfs/dbraw/zinc/37/19/73/1066371973.db2.gz SKYGXULRBOPNKX-NOENIZQJSA-N 1 1 506.650 4.850 50 0 KJAAMO C[C@H](NC(=O)c1ccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)[nH]c1=O)c1cccc2ccccc21 ZINC000019811547 1066371908 /nfs/dbraw/zinc/37/19/08/1066371908.db2.gz SKYGXULRBOPNKX-DDVUFSRBSA-N 1 1 506.650 4.850 50 0 KJAAMO CCn1c(SCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nnc1-c1ccc(N)cc1 ZINC000019823483 193888496 /nfs/dbraw/zinc/88/84/96/193888496.db2.gz WURVTHOTBYOAOB-UHFFFAOYSA-N 1 1 512.683 4.573 50 0 KJAAMO Cc1ccccc1OCc1nnc(SCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1C ZINC000019831804 553622993 /nfs/dbraw/zinc/62/29/93/553622993.db2.gz ZYFCSDZJBBINOQ-UHFFFAOYSA-N 1 1 527.694 4.728 50 0 KJAAMO O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000019854687 553624160 /nfs/dbraw/zinc/62/41/60/553624160.db2.gz SDALHPNZAOPIDL-WMPKNSHKSA-N 1 1 532.688 4.942 50 0 KJAAMO CCCOc1cccc([C@H]2C(S(=O)(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000019897775 553632070 /nfs/dbraw/zinc/63/20/70/553632070.db2.gz WJTVCNXDEZIWHW-QFIPXVFZSA-N 1 1 507.052 4.597 50 0 KJAAMO CCCOc1cccc([C@@H]2C(S(=O)(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000019897776 553632057 /nfs/dbraw/zinc/63/20/57/553632057.db2.gz WJTVCNXDEZIWHW-JOCHJYFZSA-N 1 1 507.052 4.597 50 0 KJAAMO C[C@H](C(=O)NCCC[NH+]1CCOCC1)N1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000019899382 553632607 /nfs/dbraw/zinc/63/26/07/553632607.db2.gz TYNOHOIDCCJIAH-YKGWIAGDSA-N 1 1 522.649 4.607 50 0 KJAAMO C[C@@H](C(=O)NCCC[NH+]1CCOCC1)N1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000019899383 553632625 /nfs/dbraw/zinc/63/26/25/553632625.db2.gz TYNOHOIDCCJIAH-SMSORMJASA-N 1 1 522.649 4.607 50 0 KJAAMO C[C@H](C(=O)NCCC[NH+]1CCOCC1)N1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000019899384 553632603 /nfs/dbraw/zinc/63/26/03/553632603.db2.gz TYNOHOIDCCJIAH-RCRUUEGKSA-N 1 1 522.649 4.607 50 0 KJAAMO C[C@@H](C(=O)NCCC[NH+]1CCOCC1)N1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000019899385 553632575 /nfs/dbraw/zinc/63/25/75/553632575.db2.gz TYNOHOIDCCJIAH-CHJDUVSTSA-N 1 1 522.649 4.607 50 0 KJAAMO COc1cccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000019944791 553646133 /nfs/dbraw/zinc/64/61/33/553646133.db2.gz NSAQPRFJAQRUMN-SSEXGKCCSA-N 1 1 508.622 4.553 50 0 KJAAMO COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000019944795 553646195 /nfs/dbraw/zinc/64/61/95/553646195.db2.gz NSAQPRFJAQRUMN-PMERELPUSA-N 1 1 508.622 4.553 50 0 KJAAMO O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020028446 553663777 /nfs/dbraw/zinc/66/37/77/553663777.db2.gz CTMAQXASIAUSHZ-UHFFFAOYSA-N 1 1 518.466 4.533 50 0 KJAAMO O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020028447 553663750 /nfs/dbraw/zinc/66/37/50/553663750.db2.gz NIRZAMJEZUQDQF-UHFFFAOYSA-N 1 1 518.466 4.533 50 0 KJAAMO CS(=O)(=O)N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1cccc2ccccc21 ZINC000020028448 553663724 /nfs/dbraw/zinc/66/37/24/553663724.db2.gz ZNKDKTHESQQXTH-UHFFFAOYSA-N 1 1 513.663 4.540 50 0 KJAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccc(C(C)C)cc2)cc1 ZINC000020028450 553663762 /nfs/dbraw/zinc/66/37/62/553663762.db2.gz VCPOOZAZRJABRH-UHFFFAOYSA-N 1 1 505.684 4.658 50 0 KJAAMO O=C(CC[NH+]1CCOCC1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(Br)cc1 ZINC000020029165 553663731 /nfs/dbraw/zinc/66/37/31/553663731.db2.gz OQDBUUKOONSXSL-NRFANRHFSA-N 1 1 521.253 4.612 50 0 KJAAMO O=C(CC[NH+]1CCOCC1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(Br)cc1 ZINC000020029166 553663818 /nfs/dbraw/zinc/66/38/18/553663818.db2.gz OQDBUUKOONSXSL-OAQYLSRUSA-N 1 1 521.253 4.612 50 0 KJAAMO O=C(NCCC[NH+]1CCOCC1)/C(=C/c1cccc(Oc2ccccc2)c1)NC(=O)c1ccc(Cl)cc1 ZINC000020083535 553684234 /nfs/dbraw/zinc/68/42/34/553684234.db2.gz LVKFFOJYALHEDI-MEFGMAGPSA-N 1 1 520.029 4.742 50 0 KJAAMO COc1ccc([C@@H]2[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000020104342 553688433 /nfs/dbraw/zinc/68/84/33/553688433.db2.gz FFKYTWRSDFXDSN-MFMCTBQISA-N 1 1 513.638 4.533 50 0 KJAAMO COc1ccc([C@H]2[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000020104344 553688453 /nfs/dbraw/zinc/68/84/53/553688453.db2.gz FFKYTWRSDFXDSN-JDXGNMNLSA-N 1 1 513.638 4.533 50 0 KJAAMO COc1ccc([C@@H]2[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000020104346 553688441 /nfs/dbraw/zinc/68/84/41/553688441.db2.gz FFKYTWRSDFXDSN-PQHLKRTFSA-N 1 1 513.638 4.533 50 0 KJAAMO COc1ccc([C@H]2[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000020104348 553688501 /nfs/dbraw/zinc/68/85/01/553688501.db2.gz FFKYTWRSDFXDSN-DGPALRBDSA-N 1 1 513.638 4.533 50 0 KJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000020109085 553692099 /nfs/dbraw/zinc/69/20/99/553692099.db2.gz IYMILNLWPOOXJA-OFQAEJFBSA-N 1 1 515.629 4.916 50 0 KJAAMO Cc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000020112426 553694590 /nfs/dbraw/zinc/69/45/90/553694590.db2.gz CQVFIZJAOGPEQN-WGDIFIGCSA-N 1 1 529.479 4.501 50 0 KJAAMO COc1ccc(N2C(=O)CC[C@H](C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000020113659 553695358 /nfs/dbraw/zinc/69/53/58/553695358.db2.gz PIOPLCBLRJPREQ-MHFIUEFXSA-N 1 1 537.701 4.681 50 0 KJAAMO COc1ccc(N2C(=O)CC[C@H](C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000020113661 553695397 /nfs/dbraw/zinc/69/53/97/553695397.db2.gz PIOPLCBLRJPREQ-IHAFQSIOSA-N 1 1 537.701 4.681 50 0 KJAAMO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000020117365 553590997 /nfs/dbraw/zinc/59/09/97/553590997.db2.gz FWWIJJHVQMKHDW-RTPQPHRDSA-N 1 1 539.742 4.820 50 0 KJAAMO C[N@@H+](Cc1ccc(OCCN2CCN(C(=O)c3cccs3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000020119147 553591030 /nfs/dbraw/zinc/59/10/30/553591030.db2.gz VFBBEUDXQLQPMT-UHFFFAOYSA-N 1 1 500.668 4.765 50 0 KJAAMO Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000020137964 553593896 /nfs/dbraw/zinc/59/38/96/553593896.db2.gz RCADLAJUIIWTGJ-UHFFFAOYSA-N 1 1 513.686 4.843 50 0 KJAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000020149069 553594570 /nfs/dbraw/zinc/59/45/70/553594570.db2.gz CCAONXZFFBNPSD-XUZZJYLKSA-N 1 1 507.572 4.810 50 0 KJAAMO COC(=O)CC[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000020149069 553594568 /nfs/dbraw/zinc/59/45/68/553594568.db2.gz CCAONXZFFBNPSD-XUZZJYLKSA-N 1 1 507.572 4.810 50 0 KJAAMO COCc1c(C(=O)NCC2([NH+]3CCOCC3)CCCCCC2)c(=O)cc(C)n1Cc1cccc2ccccc21 ZINC000020149337 553594674 /nfs/dbraw/zinc/59/46/74/553594674.db2.gz KWLWUQZUHNXMMQ-UHFFFAOYSA-N 1 1 531.697 4.660 50 0 KJAAMO Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)NCCC[NH+]3CCC(Cc4ccccc4)CC3)cc12 ZINC000020153866 553598622 /nfs/dbraw/zinc/59/86/22/553598622.db2.gz XWUJPJJVGHNMNF-UHFFFAOYSA-N 1 1 530.786 4.926 50 0 KJAAMO COc1ccc(/C=C2/Sc3ccc(C(=O)NCC[N@@H+](C)CCc4ccccc4)cc3N(C)C2=O)cc1 ZINC000020179655 553603468 /nfs/dbraw/zinc/60/34/68/553603468.db2.gz SFQPNERGBMQNBG-ZXVVBBHZSA-N 1 1 501.652 4.709 50 0 KJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21 ZINC000020180972 553604198 /nfs/dbraw/zinc/60/41/98/553604198.db2.gz WXAQHMLFVLJRRB-VZMFNRANSA-N 1 1 500.462 4.529 50 0 KJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21 ZINC000020180974 553604239 /nfs/dbraw/zinc/60/42/39/553604239.db2.gz WXAQHMLFVLJRRB-KWJZBXMYSA-N 1 1 500.462 4.529 50 0 KJAAMO Cc1cc(N2CCCC2)nc2ccc(NC(=S)NCCC[NH+]3CCN(c4ccccc4F)CC3)cc12 ZINC000020183149 553604854 /nfs/dbraw/zinc/60/48/54/553604854.db2.gz OOBKIOSZTBHRDL-UHFFFAOYSA-N 1 1 506.695 4.781 50 0 KJAAMO Cc1cc(N2CCCC2)nc2ccc(NC(=S)NCCC[NH+]3CCN(Cc4ccccc4)CC3)cc12 ZINC000020183156 553604933 /nfs/dbraw/zinc/60/49/33/553604933.db2.gz FONBMAUVNMFGLF-UHFFFAOYSA-N 1 1 502.732 4.638 50 0 KJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000020242296 553627081 /nfs/dbraw/zinc/62/70/81/553627081.db2.gz JDVIFCPDWXJKKX-BUFIKQNTSA-N 1 1 522.070 4.881 50 0 KJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000020242298 553627023 /nfs/dbraw/zinc/62/70/23/553627023.db2.gz JDVIFCPDWXJKKX-OBAIXPRGSA-N 1 1 522.070 4.881 50 0 KJAAMO Cc1cccc(CN2c3cc(C(=O)NCC[NH+]4CCCCCC4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000020243039 553628078 /nfs/dbraw/zinc/62/80/78/553628078.db2.gz YPIJQQZFMMSLHV-UHFFFAOYSA-N 1 1 531.678 4.594 50 0 KJAAMO Cc1cccc(CN2c3cc(C(=O)NCC[N@@H+]4CCCC[C@H]4C)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000020243043 553628125 /nfs/dbraw/zinc/62/81/25/553628125.db2.gz WTCCISVNQFBUIV-JOCHJYFZSA-N 1 1 531.678 4.592 50 0 KJAAMO Cc1cccc(CN2c3cc(C(=O)NCC[N@H+]4CCCC[C@H]4C)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000020243043 553628123 /nfs/dbraw/zinc/62/81/23/553628123.db2.gz WTCCISVNQFBUIV-JOCHJYFZSA-N 1 1 531.678 4.592 50 0 KJAAMO Cc1cccc(CN2c3cc(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000020243045 553628113 /nfs/dbraw/zinc/62/81/13/553628113.db2.gz WTCCISVNQFBUIV-QFIPXVFZSA-N 1 1 531.678 4.592 50 0 KJAAMO Cc1cccc(CN2c3cc(C(=O)NCC[N@H+]4CCCC[C@@H]4C)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000020243045 553628111 /nfs/dbraw/zinc/62/81/11/553628111.db2.gz WTCCISVNQFBUIV-QFIPXVFZSA-N 1 1 531.678 4.592 50 0 KJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1S2(=O)=O ZINC000020243250 553628580 /nfs/dbraw/zinc/62/85/80/553628580.db2.gz LAVANMOSANURBM-XMMPIXPASA-N 1 1 531.678 4.511 50 0 KJAAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1S2(=O)=O ZINC000020243250 553628578 /nfs/dbraw/zinc/62/85/78/553628578.db2.gz LAVANMOSANURBM-XMMPIXPASA-N 1 1 531.678 4.511 50 0 KJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1S2(=O)=O ZINC000020243252 553628650 /nfs/dbraw/zinc/62/86/50/553628650.db2.gz LAVANMOSANURBM-DEOSSOPVSA-N 1 1 531.678 4.511 50 0 KJAAMO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1S2(=O)=O ZINC000020243252 553628648 /nfs/dbraw/zinc/62/86/48/553628648.db2.gz LAVANMOSANURBM-DEOSSOPVSA-N 1 1 531.678 4.511 50 0 KJAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000020243336 553628891 /nfs/dbraw/zinc/62/88/91/553628891.db2.gz NBVYLZJKUVNGEN-JOCHJYFZSA-N 1 1 531.678 4.532 50 0 KJAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000020243338 553628842 /nfs/dbraw/zinc/62/88/42/553628842.db2.gz NBVYLZJKUVNGEN-QFIPXVFZSA-N 1 1 531.678 4.532 50 0 KJAAMO O=C(NC(=S)Nc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccco1 ZINC000020283323 553631639 /nfs/dbraw/zinc/63/16/39/553631639.db2.gz XHMJCORMVBLEFB-UHFFFAOYSA-N 1 1 524.646 4.954 50 0 KJAAMO CC(C)C(=O)NC(=S)Nc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020347238 553639995 /nfs/dbraw/zinc/63/99/95/553639995.db2.gz DROHAIHUZXBCIA-UHFFFAOYSA-N 1 1 500.668 4.703 50 0 KJAAMO Cc1ccccc1Cn1c2cnccc2nc1SCc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000020389026 553644688 /nfs/dbraw/zinc/64/46/88/553644688.db2.gz XAZWIKRXLYVSLE-UHFFFAOYSA-N 1 1 515.683 4.532 50 0 KJAAMO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000020412407 553646906 /nfs/dbraw/zinc/64/69/06/553646906.db2.gz XESODQRWBFMKEB-PJXACDNCSA-N 1 1 500.683 4.679 50 0 biogenic KJAAMO O=C(/C=C/c1cccc(F)c1)N1CCC[C@@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000020453319 553651946 /nfs/dbraw/zinc/65/19/46/553651946.db2.gz BCWDSDONRQNKQC-RBUXCVQISA-N 1 1 528.672 4.869 50 0 KJAAMO O=C(/C=C/c1cccc(F)c1)N1CCC[C@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000020453321 553651926 /nfs/dbraw/zinc/65/19/26/553651926.db2.gz BCWDSDONRQNKQC-MYLCPLCOSA-N 1 1 528.672 4.869 50 0 KJAAMO COC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@H+](Cc1ccccc1)C3 ZINC000020479487 553657670 /nfs/dbraw/zinc/65/76/70/553657670.db2.gz GEJNEQBIMHWUDN-GOSISDBHSA-N 1 1 505.665 4.968 50 0 KJAAMO COC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000020479487 553657669 /nfs/dbraw/zinc/65/76/69/553657669.db2.gz GEJNEQBIMHWUDN-GOSISDBHSA-N 1 1 505.665 4.968 50 0 KJAAMO COC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@H+](Cc1ccccc1)C3 ZINC000020479490 553657704 /nfs/dbraw/zinc/65/77/04/553657704.db2.gz GEJNEQBIMHWUDN-SFHVURJKSA-N 1 1 505.665 4.968 50 0 KJAAMO COC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000020479490 553657702 /nfs/dbraw/zinc/65/77/02/553657702.db2.gz GEJNEQBIMHWUDN-SFHVURJKSA-N 1 1 505.665 4.968 50 0 KJAAMO O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020509507 553668408 /nfs/dbraw/zinc/66/84/08/553668408.db2.gz XHGSYMWPHQMNNV-UHFFFAOYSA-N 1 1 511.578 4.521 50 0 KJAAMO CC(=O)Oc1ccc2c(C)c(CC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)oc2c1 ZINC000020590726 553676700 /nfs/dbraw/zinc/67/67/00/553676700.db2.gz GFYNAOQQAAWOGP-UHFFFAOYSA-N 1 1 510.590 4.503 50 0 KJAAMO COc1ccc2c(C)c(CC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)oc2c1OC ZINC000020590925 553676720 /nfs/dbraw/zinc/67/67/20/553676720.db2.gz GMSATLUICLYNRW-UHFFFAOYSA-N 1 1 512.606 4.595 50 0 KJAAMO COc1cc(OC)c2c(C)c(CC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)oc2c1 ZINC000020591211 553676953 /nfs/dbraw/zinc/67/69/53/553676953.db2.gz SZUFMZZHFXOKCD-UHFFFAOYSA-N 1 1 512.606 4.595 50 0 KJAAMO CC(=O)Oc1ccc2c(C)c(CC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)oc2c1C ZINC000020591807 553677007 /nfs/dbraw/zinc/67/70/07/553677007.db2.gz JHZYCPLRPFHXDG-UHFFFAOYSA-N 1 1 524.617 4.811 50 0 KJAAMO COc1ccc(CCNC(=O)CC[C@H]2C[N@@H+](Cc3cccc4ccccc43)CC[C@H]2N2CCOCC2)cc1 ZINC000020600242 553677246 /nfs/dbraw/zinc/67/72/46/553677246.db2.gz RTCBAZMRHVLAMH-QCENPCRXSA-N 1 1 515.698 4.510 50 0 KJAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)C1CCC(CNc2[nH]c(=S)nc3ccccc32)CC1 ZINC000020646077 553685357 /nfs/dbraw/zinc/68/53/57/553685357.db2.gz USFNVVDQRFJION-UHFFFAOYSA-N 1 1 536.721 4.978 50 0 KJAAMO O=C(CCc1cn(C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc12)N1CCOCC1 ZINC000020649957 553685313 /nfs/dbraw/zinc/68/53/13/553685313.db2.gz AAXDJLWMZWXRCS-UHFFFAOYSA-N 1 1 522.693 4.797 50 0 KJAAMO Cc1ccc(CN2c3cc(C(=O)NCCC[NH+]4CCOCC4)ccc3Sc3ccccc3C2=O)cc1 ZINC000020680617 553688178 /nfs/dbraw/zinc/68/81/78/553688178.db2.gz GHBHVZIGLDGIRQ-UHFFFAOYSA-N 1 1 501.652 4.759 50 0 KJAAMO Cc1cccc(CN2c3cc(C(=O)NCCC[NH+]4CCOCC4)ccc3Sc3ccccc3C2=O)c1 ZINC000020680983 553688229 /nfs/dbraw/zinc/68/82/29/553688229.db2.gz LRROSXVMUQIEIA-UHFFFAOYSA-N 1 1 501.652 4.759 50 0 KJAAMO CCOc1ccc(CCN2C(=O)c3ccccc3[C@@H]2C(=O)NCCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1OCC ZINC000020686958 553689373 /nfs/dbraw/zinc/68/93/73/553689373.db2.gz LOJQTMUNZKLHGR-RLPNJSHFSA-N 1 1 521.702 4.993 50 0 KJAAMO CCOc1ccc(CCN2C(=O)c3ccccc3[C@H]2C(=O)NCCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1OCC ZINC000020686963 553689242 /nfs/dbraw/zinc/68/92/42/553689242.db2.gz LOJQTMUNZKLHGR-CTWZREHQSA-N 1 1 521.702 4.993 50 0 KJAAMO COc1ccc(Br)cc1CN1C(=O)c2ccccc2[C@@H]1C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020687207 553689266 /nfs/dbraw/zinc/68/92/66/553689266.db2.gz NTKCGXOOCPGPNY-HHJKRLRDSA-N 1 1 528.491 4.639 50 0 KJAAMO Cc1ccc(C[N@H+]2CCN(C(=S)NCC(=O)NCCc3ccc(Cl)cc3)CC23CCCCC3)cc1 ZINC000020687349 553689214 /nfs/dbraw/zinc/68/92/14/553689214.db2.gz ZRKXVAYMOWQNKT-UHFFFAOYSA-N 1 1 513.151 4.702 50 0 KJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CN2C(=O)/C(=C\c3cccc(Br)c3)Oc3ccccc32)C1 ZINC000020726081 553690321 /nfs/dbraw/zinc/69/03/21/553690321.db2.gz YDXRWCZUMZYBSW-LZSGNZRWSA-N 1 1 526.475 4.700 50 0 KJAAMO O=C(CN1C(=O)/C(=C/c2ccccc2)Sc2ccccc21)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000020726651 553690302 /nfs/dbraw/zinc/69/03/02/553690302.db2.gz VSYFKLLOZADCNM-HFTWOUSFSA-N 1 1 530.669 4.634 50 0 KJAAMO Cc1ccccc1CN1c2cc(C(=O)NCCC[NH+]3CCOCC3)ccc2Sc2ccccc2C1=O ZINC000020726789 553690387 /nfs/dbraw/zinc/69/03/87/553690387.db2.gz BKZWTDSEUPHOEH-UHFFFAOYSA-N 1 1 501.652 4.759 50 0 KJAAMO CCCC[N@@H+](C)CCCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21 ZINC000020727388 553690595 /nfs/dbraw/zinc/69/05/95/553690595.db2.gz VXVAIYDYXYSQNW-UHFFFAOYSA-N 1 1 537.730 4.569 50 0 KJAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)c1ccccc1S2 ZINC000020730035 553691495 /nfs/dbraw/zinc/69/14/95/553691495.db2.gz MJJFYHSCTDGXNP-UHFFFAOYSA-N 1 1 505.615 4.589 50 0 KJAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020730538 553691867 /nfs/dbraw/zinc/69/18/67/553691867.db2.gz MDGIGCYXAMFNTI-NHFJDJAPSA-N 1 1 516.642 4.853 50 0 KJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000020735712 553693542 /nfs/dbraw/zinc/69/35/42/553693542.db2.gz KNIDSWRBTSFLPK-BUFIKQNTSA-N 1 1 522.070 4.881 50 0 KJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000020735717 553693555 /nfs/dbraw/zinc/69/35/55/553693555.db2.gz KNIDSWRBTSFLPK-OBAIXPRGSA-N 1 1 522.070 4.881 50 0 KJAAMO COc1ccc(/C=C2/Sc3ccc(C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)cc3NC2=O)cc1OC ZINC000020736452 553693793 /nfs/dbraw/zinc/69/37/93/553693793.db2.gz KDXPYSBRWHAMQQ-HVTSHWOYSA-N 1 1 509.672 4.887 50 0 KJAAMO COc1ccc(/C=C2/Sc3ccc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3NC2=O)cc1OC ZINC000020736524 553694058 /nfs/dbraw/zinc/69/40/58/553694058.db2.gz RRAQKMJTZOWQHS-WPWMEQJKSA-N 1 1 515.635 4.747 50 0 KJAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000020737246 553694261 /nfs/dbraw/zinc/69/42/61/553694261.db2.gz OTAQHFRTQRYDPN-RRAHZORUSA-N 1 1 512.679 4.710 50 0 KJAAMO O=C(/C=C/c1cccs1)N1CCC[C@@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000020774084 553698092 /nfs/dbraw/zinc/69/80/92/553698092.db2.gz XNNKMXWQSRRNOQ-ZPIZUECNSA-N 1 1 516.711 4.792 50 0 KJAAMO O=C(/C=C/c1cccs1)N1CCC[C@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000020774088 553698074 /nfs/dbraw/zinc/69/80/74/553698074.db2.gz XNNKMXWQSRRNOQ-RTHIIRHPSA-N 1 1 516.711 4.792 50 0 KJAAMO Cc1ccc(C(=O)N2CCC[C@@H](COc3ccc(C[NH+]4CCN(Cc5cccnc5)CC4)cc3)C2)s1 ZINC000020774962 553698108 /nfs/dbraw/zinc/69/81/08/553698108.db2.gz YMPSNRJWIIAYFV-AREMUKBSSA-N 1 1 504.700 4.701 50 0 KJAAMO Cc1ccc(C(=O)N2CCC[C@H](COc3ccc(C[NH+]4CCN(Cc5cccnc5)CC4)cc3)C2)s1 ZINC000020774966 553698029 /nfs/dbraw/zinc/69/80/29/553698029.db2.gz YMPSNRJWIIAYFV-SANMLTNESA-N 1 1 504.700 4.701 50 0 KJAAMO O=C(COc1ccc(-c2cccs2)cc1C[NH+]1CCN(c2ncccn2)CC1)Nc1ccc2c(c1)COC2 ZINC000020778984 553698056 /nfs/dbraw/zinc/69/80/56/553698056.db2.gz YFCKFBHZMXMGDY-UHFFFAOYSA-N 1 1 527.650 4.575 50 0 KJAAMO O=C(c1cccc(Cl)c1)N1CCC(Oc2cccc(C[NH+]3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000020780316 1066375934 /nfs/dbraw/zinc/37/59/34/1066375934.db2.gz XIWLROAGPPXJTI-UHFFFAOYSA-N 1 1 505.062 4.736 50 0 KJAAMO CCOC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@H+](Cc1ccccc1)C3 ZINC000020814674 553698938 /nfs/dbraw/zinc/69/89/38/553698938.db2.gz RBJCGCGXEWFMDO-UHFFFAOYSA-N 1 1 505.665 4.720 50 0 KJAAMO CCOC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000020814674 553698937 /nfs/dbraw/zinc/69/89/37/553698937.db2.gz RBJCGCGXEWFMDO-UHFFFAOYSA-N 1 1 505.665 4.720 50 0 KJAAMO 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COc1ccc(/C=C/C(=O)N2CCC[C@H](COc3ccc(C[NH+]4CCN(Cc5cccnc5)CC4)cc3)C2)cc1 ZINC000022853086 553761807 /nfs/dbraw/zinc/76/18/07/553761807.db2.gz NBLDGPTWGLPEBJ-RPIKRSNWSA-N 1 1 540.708 4.739 50 0 KJAAMO COc1ccccc1CCC(=O)N1CCC[C@@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000022853138 553761913 /nfs/dbraw/zinc/76/19/13/553761913.db2.gz LLERZYQJGBEDIY-GDLZYMKVSA-N 1 1 542.724 4.658 50 0 KJAAMO COc1ccccc1CCC(=O)N1CCC[C@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000022853141 553761888 /nfs/dbraw/zinc/76/18/88/553761888.db2.gz LLERZYQJGBEDIY-LJAQVGFWSA-N 1 1 542.724 4.658 50 0 KJAAMO C[NH+]1CCN(CC(=O)N2N=C(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)C[C@@H]2c2ccccc2)CC1 ZINC000022854452 553761794 /nfs/dbraw/zinc/76/17/94/553761794.db2.gz CMUWJFNFHVEISE-HHHXNRCGSA-N 1 1 540.067 4.774 50 0 KJAAMO C[NH+]1CCN(CC(=O)N2N=C(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000022854455 553761835 /nfs/dbraw/zinc/76/18/35/553761835.db2.gz CMUWJFNFHVEISE-MHZLTWQESA-N 1 1 540.067 4.774 50 0 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KJAAMO O=C(NCCCOc1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000023130033 553770666 /nfs/dbraw/zinc/77/06/66/553770666.db2.gz RGQSLEUZRUMHIL-UHFFFAOYSA-N 1 1 507.638 4.665 50 0 KJAAMO CN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C)C3)cc1 ZINC000023153845 553770993 /nfs/dbraw/zinc/77/09/93/553770993.db2.gz BRICWRQVWZTVNC-UHFFFAOYSA-N 1 1 512.682 4.515 50 0 KJAAMO CN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C)C3)cc1 ZINC000023153845 553770990 /nfs/dbraw/zinc/77/09/90/553770990.db2.gz BRICWRQVWZTVNC-UHFFFAOYSA-N 1 1 512.682 4.515 50 0 KJAAMO CC[N@H+]1CCc2c(sc(NC(=O)CN3C(=O)c4ccccc4C3=O)c2-c2nc3ccccc3s2)C1 ZINC000023153878 553771085 /nfs/dbraw/zinc/77/10/85/553771085.db2.gz WYMUJBNPKPWSBQ-UHFFFAOYSA-N 1 1 502.621 4.638 50 0 KJAAMO CC[N@@H+]1CCc2c(sc(NC(=O)CN3C(=O)c4ccccc4C3=O)c2-c2nc3ccccc3s2)C1 ZINC000023153878 553771083 /nfs/dbraw/zinc/77/10/83/553771083.db2.gz WYMUJBNPKPWSBQ-UHFFFAOYSA-N 1 1 502.621 4.638 50 0 KJAAMO O=C(CN1C(=O)CCC1=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](Cc1ccccc1)C2 ZINC000023153880 553771099 /nfs/dbraw/zinc/77/10/99/553771099.db2.gz DYQPCTJKKXVTFB-UHFFFAOYSA-N 1 1 516.648 4.671 50 0 KJAAMO O=C(CN1C(=O)CCC1=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](Cc1ccccc1)C2 ZINC000023153880 553771098 /nfs/dbraw/zinc/77/10/98/553771098.db2.gz DYQPCTJKKXVTFB-UHFFFAOYSA-N 1 1 516.648 4.671 50 0 KJAAMO Cc1ccc(Nc2nc(C(=O)N3CCC(C(=O)N4CC[NH+](Cc5ccccc5)CC4)CC3)cs2)cc1C ZINC000023157096 553771126 /nfs/dbraw/zinc/77/11/26/553771126.db2.gz LXCPCFFTNNFUMQ-UHFFFAOYSA-N 1 1 517.699 4.700 50 0 KJAAMO Cc1ccsc1C(=O)N1CCC[C@@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000023158982 553771281 /nfs/dbraw/zinc/77/12/81/553771281.db2.gz RPFIXFMAYWGBFZ-AREMUKBSSA-N 1 1 504.700 4.701 50 0 KJAAMO Cc1ccsc1C(=O)N1CCC[C@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000023158984 553771335 /nfs/dbraw/zinc/77/13/35/553771335.db2.gz RPFIXFMAYWGBFZ-SANMLTNESA-N 1 1 504.700 4.701 50 0 KJAAMO O=C(NC1c2ccccc2-c2ccccc21)c1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)[nH]c1=O ZINC000023338745 1066234518 /nfs/dbraw/zinc/23/45/18/1066234518.db2.gz JOIQZCCUFQXIQC-UHFFFAOYSA-N 1 1 511.025 4.850 50 0 KJAAMO CC(C)[N@H+]1CC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](CCC(=O)N2CCC(C)CC2)C1 ZINC000023339537 553774372 /nfs/dbraw/zinc/77/43/72/553774372.db2.gz TWNPEXXIVCETRS-JYFHCDHNSA-N 1 1 508.673 4.965 50 0 KJAAMO O=C(/C=C/c1cccs1)N1CCC(Oc2cccc(C[NH+]3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000023373823 1066254729 /nfs/dbraw/zinc/25/47/29/1066254729.db2.gz FLXNHNRLCXAVHW-CMDGGOBGSA-N 1 1 502.684 4.544 50 0 KJAAMO COc1ccc(CC(=O)N2CC[NH+](Cc3ccc(-c4noc(-c5cccc(Cl)c5)n4)cc3)CC2)cc1 ZINC000023462397 553786836 /nfs/dbraw/zinc/78/68/36/553786836.db2.gz HTJHHPOLPSNMIQ-UHFFFAOYSA-N 1 1 503.002 4.953 50 0 KJAAMO O=C(c1cccc(S(=O)(=O)NCc2ccccc2)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023989403 553787863 /nfs/dbraw/zinc/78/78/63/553787863.db2.gz MJCDMRIREYMBQU-UHFFFAOYSA-N 1 1 525.674 4.713 50 0 KJAAMO COc1ccccc1CC(=O)N1CC[NH+](Cc2ccc(-c3noc(-c4cccc(Cl)c4)n3)cc2)CC1 ZINC000025142391 553793329 /nfs/dbraw/zinc/79/33/29/553793329.db2.gz HFJDYWGRQZZGQI-UHFFFAOYSA-N 1 1 503.002 4.953 50 0 KJAAMO O=C(Cc1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccc(-c3noc(-c4cccc(Cl)c4)n3)cc2)CC1 ZINC000025146637 553795340 /nfs/dbraw/zinc/79/53/40/553795340.db2.gz WHFQZWSJTZDHOI-UHFFFAOYSA-N 1 1 516.985 4.673 50 0 KJAAMO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4ccccc4N4CC[N@@H+](Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000025184968 553806088 /nfs/dbraw/zinc/80/60/88/553806088.db2.gz JBJYBMJNDUNNLP-GRKNLSHJSA-N 1 1 508.622 4.519 50 0 KJAAMO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4ccccc4N4CC[N@@H+](Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000025184975 553806026 /nfs/dbraw/zinc/80/60/26/553806026.db2.gz JBJYBMJNDUNNLP-MVSFAKPFSA-N 1 1 508.622 4.519 50 0 KJAAMO O=C(NCCC[NH+]1CCOCC1)/C(=C\c1cccc(Oc2ccccc2)c1)NC(=O)c1ccc(Cl)cc1 ZINC000027017475 553823385 /nfs/dbraw/zinc/82/33/85/553823385.db2.gz LVKFFOJYALHEDI-SZXQPVLSSA-N 1 1 520.029 4.742 50 0 KJAAMO CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@@H](O)C[NH+]3CCN(Cc4ccccc4)CC3)cc21 ZINC000028639398 553843326 /nfs/dbraw/zinc/84/33/26/553843326.db2.gz YYUUAXZMRDLMNI-NDEPHWFRSA-N 1 1 541.692 4.732 50 0 KJAAMO CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@H](O)C[NH+]3CCN(Cc4ccccc4)CC3)cc21 ZINC000028639401 553843286 /nfs/dbraw/zinc/84/32/86/553843286.db2.gz YYUUAXZMRDLMNI-MUUNZHRXSA-N 1 1 541.692 4.732 50 0 KJAAMO Cc1ccc(CSc2nc3cc(C(=O)NCCC[NH+]4CCOCC4)ccc3c(=O)n2-c2ccc(F)cc2)cc1 ZINC000028641563 553843337 /nfs/dbraw/zinc/84/33/37/553843337.db2.gz VPUWHGULVDICSM-UHFFFAOYSA-N 1 1 546.668 4.578 50 0 KJAAMO Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000028704875 553843531 /nfs/dbraw/zinc/84/35/31/553843531.db2.gz QAGYKUNXZHXKMR-QTYFXCGKSA-N 1 1 567.796 4.748 50 0 KJAAMO COc1cccc2c1[C@@H]1C[N@@H+](CCCCn3c(=O)[nH]c4c5nc(-c6ccccc6)cnc5sc4c3=O)C[C@@H]1CO2 ZINC000029747110 553846738 /nfs/dbraw/zinc/84/67/38/553846738.db2.gz WDTAYDBPNYFWDR-WOJBJXKFSA-N 1 1 555.660 4.671 50 0 aggregator,investigational KJAAMO O=C(c1ccco1)N1CC[NH+](C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000029747833 553848883 /nfs/dbraw/zinc/84/88/83/553848883.db2.gz HEJVHZPELILUCS-SFHVURJKSA-N 1 1 561.274 4.731 50 0 KJAAMO O=C(c1ccco1)N1CC[NH+](C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000029747834 553848931 /nfs/dbraw/zinc/84/89/31/553848931.db2.gz HEJVHZPELILUCS-GOSISDBHSA-N 1 1 561.274 4.731 50 0 KJAAMO CCCC[N@@H+](CCCNC(=O)C[S@@](=O)Cc1nc(-c2ccc(OC)c(OC)c2)oc1C)Cc1ccccc1 ZINC000029749380 553851931 /nfs/dbraw/zinc/85/19/31/553851931.db2.gz MDRPGQVNNRMKNB-KXQOOQHDSA-N 1 1 541.714 4.725 50 0 KJAAMO CCCC[N@@H+](CCCNC(=O)C[S@](=O)Cc1nc(-c2ccc(OC)c(OC)c2)oc1C)Cc1ccccc1 ZINC000029749383 553851946 /nfs/dbraw/zinc/85/19/46/553851946.db2.gz MDRPGQVNNRMKNB-LHEWISCISA-N 1 1 541.714 4.725 50 0 KJAAMO COc1ccc(/C=C2\Sc3ccc(C(=O)NCCC[NH+]4CCN(c5ccccc5F)CC4)cc3N(C)C2=O)cc1OC ZINC000029749949 553853168 /nfs/dbraw/zinc/85/31/68/553853168.db2.gz DOAYBUADDJHKCM-COEJQBHMSA-N 1 1 590.721 4.895 50 0 KJAAMO COc1ccc(/C=C2\Oc3ccccc3N(CC(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1Br ZINC000029750009 553853206 /nfs/dbraw/zinc/85/32/06/553853206.db2.gz XESRBDQFGKGDMM-VEILYXNESA-N 1 1 625.951 4.816 50 0 KJAAMO CC[N@@H+](CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000029752513 553853370 /nfs/dbraw/zinc/85/33/70/553853370.db2.gz OGTXQGWCGVKKBD-IOWSJCHKSA-N 1 1 575.706 4.660 50 0 KJAAMO CC[N@@H+](CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000029752515 553853814 /nfs/dbraw/zinc/85/38/14/553853814.db2.gz OGTXQGWCGVKKBD-FIRIVFDPSA-N 1 1 575.706 4.660 50 0 KJAAMO CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752589 553853772 /nfs/dbraw/zinc/85/37/72/553853772.db2.gz KBXLHIRYJFOOGR-JHOUSYSJSA-N 1 1 600.735 4.788 50 0 KJAAMO CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752591 553853957 /nfs/dbraw/zinc/85/39/57/553853957.db2.gz KBXLHIRYJFOOGR-LQJZCPKCSA-N 1 1 600.735 4.788 50 0 KJAAMO CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752592 553854004 /nfs/dbraw/zinc/85/40/04/553854004.db2.gz KBXLHIRYJFOOGR-CZNDPXEESA-N 1 1 600.735 4.788 50 0 KJAAMO CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752594 553854070 /nfs/dbraw/zinc/85/40/70/553854070.db2.gz KBXLHIRYJFOOGR-SAIUNTKASA-N 1 1 600.735 4.788 50 0 KJAAMO C[C@@H](CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)CC1=NS(=O)(=O)c2ccccc2N1 ZINC000032961390 553882291 /nfs/dbraw/zinc/88/22/91/553882291.db2.gz BCCYYTICRNLSIH-JOCHJYFZSA-N 1 1 516.667 4.549 50 0 KJAAMO C[C@H](CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)CC1=NS(=O)(=O)c2ccccc2N1 ZINC000032961391 553882362 /nfs/dbraw/zinc/88/23/62/553882362.db2.gz BCCYYTICRNLSIH-QFIPXVFZSA-N 1 1 516.667 4.549 50 0 KJAAMO CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000032967237 553882813 /nfs/dbraw/zinc/88/28/13/553882813.db2.gz OQIFAXDWKBSQOJ-HSZRJFAPSA-N 1 1 520.026 4.854 50 0 KJAAMO CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000032967239 553882803 /nfs/dbraw/zinc/88/28/03/553882803.db2.gz OQIFAXDWKBSQOJ-QHCPKHFHSA-N 1 1 520.026 4.854 50 0 KJAAMO COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000033026964 553890619 /nfs/dbraw/zinc/89/06/19/553890619.db2.gz NUSMNCQQVNSPNO-UHFFFAOYSA-N 1 1 514.047 4.544 50 0 KJAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc(NC(=O)c2nnc(COc3ccc(Cl)cc3)s2)c1 ZINC000033027146 553890557 /nfs/dbraw/zinc/89/05/57/553890557.db2.gz KTKACLMHWUTPGK-QGZVFWFLSA-N 1 1 514.051 4.627 50 0 KJAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc(NC(=O)c2nnc(COc3ccc(Cl)cc3)s2)c1 ZINC000033027147 553890756 /nfs/dbraw/zinc/89/07/56/553890756.db2.gz KTKACLMHWUTPGK-KRWDZBQOSA-N 1 1 514.051 4.627 50 0 KJAAMO C[N@@H+](CCCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccccc3)s2)cc1)Cc1ccccc1 ZINC000033027989 553890964 /nfs/dbraw/zinc/89/09/64/553890964.db2.gz YMZYSXBJNLKVBF-UHFFFAOYSA-N 1 1 515.639 4.621 50 0 KJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccccc3)s2)cc1 ZINC000033027990 553891005 /nfs/dbraw/zinc/89/10/05/553891005.db2.gz HSOOUNVQZQTLMN-JOCHJYFZSA-N 1 1 507.660 4.754 50 0 KJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccccc3)s2)cc1 ZINC000033027991 553890945 /nfs/dbraw/zinc/89/09/45/553890945.db2.gz HSOOUNVQZQTLMN-QFIPXVFZSA-N 1 1 507.660 4.754 50 0 KJAAMO C[N@@H+](CCCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccccc3)s2)cc1)C1CCCCC1 ZINC000033028002 553891113 /nfs/dbraw/zinc/89/11/13/553891113.db2.gz DEIGTZXSJXKJAT-UHFFFAOYSA-N 1 1 507.660 4.754 50 0 KJAAMO CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)ccc2Cl)cc1 ZINC000033028921 553891288 /nfs/dbraw/zinc/89/12/88/553891288.db2.gz FLYDVSTVLJVZBD-HSZRJFAPSA-N 1 1 502.036 4.572 50 0 KJAAMO CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)ccc2Cl)cc1 ZINC000033028923 553891347 /nfs/dbraw/zinc/89/13/47/553891347.db2.gz FLYDVSTVLJVZBD-QHCPKHFHSA-N 1 1 502.036 4.572 50 0 KJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@]2(C)Cn3c4ccoc4cc3C(=O)N2Cc2ccc(Cl)cc2)C1 ZINC000033315121 553920624 /nfs/dbraw/zinc/92/06/24/553920624.db2.gz VEFCTODYUJSSDH-NKQBKRSGSA-N 1 1 511.066 4.787 50 0 KJAAMO COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000033355448 553934975 /nfs/dbraw/zinc/93/49/75/553934975.db2.gz LKZRDRYLZOGMIT-UHFFFAOYSA-N 1 1 583.754 4.862 50 0 KJAAMO O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1nnc(-c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)o1 ZINC000033356159 553939554 /nfs/dbraw/zinc/93/95/54/553939554.db2.gz HLBVPWUPMMHNQM-UHFFFAOYSA-N 1 1 557.098 4.500 50 0 KJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000033356450 553941768 /nfs/dbraw/zinc/94/17/68/553941768.db2.gz DGQIYKOYOXXCOL-SZPZYZBQSA-N 1 1 563.695 4.917 50 0 KJAAMO Cc1c(C(=O)NCCC[NH+]2CCN(c3ccccc3F)CC2)oc2c1-c1nn(Cc3ccc(C)cc3)cc1CC2 ZINC000033356756 553944175 /nfs/dbraw/zinc/94/41/75/553944175.db2.gz VAOKGPMNWUMYTO-UHFFFAOYSA-N 1 1 541.671 4.988 50 0 KJAAMO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000033357084 553946430 /nfs/dbraw/zinc/94/64/30/553946430.db2.gz FSEGCFHUYLDRBY-PMERELPUSA-N 1 1 617.841 4.956 50 0 KJAAMO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000033357086 553946405 /nfs/dbraw/zinc/94/64/05/553946405.db2.gz FSEGCFHUYLDRBY-SSEXGKCCSA-N 1 1 617.841 4.956 50 0 KJAAMO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000033357087 553946474 /nfs/dbraw/zinc/94/64/74/553946474.db2.gz ZWPJQDONAKWWCO-LJAQVGFWSA-N 1 1 636.218 4.896 50 0 KJAAMO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000033357089 553946378 /nfs/dbraw/zinc/94/63/78/553946378.db2.gz ZWPJQDONAKWWCO-GDLZYMKVSA-N 1 1 636.218 4.896 50 0 KJAAMO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Sc3ccc(Br)cc3)c(C(=O)NCCC[NH+]3CCOCC3)c2)C1 ZINC000033357565 553948907 /nfs/dbraw/zinc/94/89/07/553948907.db2.gz CPGYULRSFPEHBZ-NHCUHLMSSA-N 1 1 610.640 4.719 50 0 KJAAMO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(Sc3ccc(Br)cc3)c(C(=O)NCCC[NH+]3CCOCC3)c2)C1 ZINC000033357567 553948903 /nfs/dbraw/zinc/94/89/03/553948903.db2.gz CPGYULRSFPEHBZ-OYRHEFFESA-N 1 1 610.640 4.719 50 0 KJAAMO C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(Sc3ccc(Br)cc3)c(C(=O)NCCC[NH+]3CCOCC3)c2)C1 ZINC000033357570 553948961 /nfs/dbraw/zinc/94/89/61/553948961.db2.gz CPGYULRSFPEHBZ-SFTDATJTSA-N 1 1 610.640 4.719 50 0 KJAAMO COc1ccc(-c2nc3c(c(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)n2)Cc2cccc(OC)c2O3)cc1 ZINC000033357588 553949253 /nfs/dbraw/zinc/94/92/53/553949253.db2.gz AFNLUYPEGFHUNE-UHFFFAOYSA-N 1 1 538.604 4.908 50 0 KJAAMO O=C(CSc1nc2ccccc2c(=O)n1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NC1CCCCC1 ZINC000033357841 553951379 /nfs/dbraw/zinc/95/13/79/553951379.db2.gz QKTVXHOFTWKVEN-UHFFFAOYSA-N 1 1 554.160 4.803 50 0 KJAAMO O=C(CSc1nc2ccccc2c(=O)n1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N1CCCCCC1 ZINC000033357847 553951344 /nfs/dbraw/zinc/95/13/44/553951344.db2.gz SDMVQFUACGIKSW-UHFFFAOYSA-N 1 1 554.160 4.757 50 0 KJAAMO Cc1ccc(NC(=O)N(CCC[NH+]2CCOCC2)CC(=O)N(Cc2ccco2)Cc2ccc(F)cc2)c(C)c1 ZINC000033497539 553961177 /nfs/dbraw/zinc/96/11/77/553961177.db2.gz KSOHXJHFVLVWLE-UHFFFAOYSA-N 1 1 536.648 4.821 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000033733522 553971055 /nfs/dbraw/zinc/97/10/55/553971055.db2.gz ABVCTJBTGVEOCP-KIHHCIJBSA-N 1 1 503.480 4.860 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000033733522 553971053 /nfs/dbraw/zinc/97/10/53/553971053.db2.gz ABVCTJBTGVEOCP-KIHHCIJBSA-N 1 1 503.480 4.860 50 0 KJAAMO Cc1ccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2ccc(C(F)(F)F)cc2)CC3)cc1 ZINC000034676631 553982930 /nfs/dbraw/zinc/98/29/30/553982930.db2.gz JSRDYVWPTXUJDA-UHFFFAOYSA-N 1 1 511.548 4.546 50 0 KJAAMO Cc1ccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2ccc(Cl)c(Cl)c2)CC3)cc1 ZINC000034676642 553983004 /nfs/dbraw/zinc/98/30/04/553983004.db2.gz JNRVDYQCCLWKNE-UHFFFAOYSA-N 1 1 512.441 4.834 50 0 KJAAMO COc1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)c4ccccc4Cl)cn3)CC2)c(OC)c1OC ZINC000034681690 553985064 /nfs/dbraw/zinc/98/50/64/553985064.db2.gz ZQDJPKCPNLXLBR-UHFFFAOYSA-N 1 1 511.022 4.725 50 0 KJAAMO COc1cc(C[N@H+]2CCCN(c3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cn3)CC2)ccc1O ZINC000034681778 553985150 /nfs/dbraw/zinc/98/51/50/553985150.db2.gz RHGMLTAWEVEPIH-UHFFFAOYSA-N 1 1 500.521 4.779 50 0 KJAAMO COc1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)Nc4ccc(F)cc4F)cn3)CC2)c(OC)c1OC ZINC000034682108 553985700 /nfs/dbraw/zinc/98/57/00/553985700.db2.gz ONPLDCYUDXGIMT-UHFFFAOYSA-N 1 1 527.572 4.742 50 0 KJAAMO COc1ccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(F)cc3)CC2)c(OC)c1 ZINC000034683708 553985819 /nfs/dbraw/zinc/98/58/19/553985819.db2.gz QLMDNOITEDWMAK-UHFFFAOYSA-N 1 1 502.583 4.842 50 0 KJAAMO COc1ccc(OC)c(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000034683709 553985976 /nfs/dbraw/zinc/98/59/76/553985976.db2.gz OUUZIWXOSRMIOB-UHFFFAOYSA-N 1 1 502.583 4.842 50 0 KJAAMO COc1ccc(C[NH+]2CCC(N(c3ccc(OC)c(OC)c3)S(=O)(=O)c3ccccc3)CC2)c(OC)c1 ZINC000034683742 553985914 /nfs/dbraw/zinc/98/59/14/553985914.db2.gz MHFNVMYSKAETOS-UHFFFAOYSA-N 1 1 526.655 4.581 50 0 KJAAMO COc1ccc(N(C2CC[NH+](Cc3cccc(OC)c3OC)CC2)S(=O)(=O)c2ccccc2)cc1OC ZINC000034683743 553985942 /nfs/dbraw/zinc/98/59/42/553985942.db2.gz HLXWDMSRROCLKV-UHFFFAOYSA-N 1 1 526.655 4.581 50 0 KJAAMO COc1ccc(C[NH+]2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(C)cc3)CC2)c(OC)c1 ZINC000034683840 553986329 /nfs/dbraw/zinc/98/63/29/553986329.db2.gz MBQALHWXBCDMKV-UHFFFAOYSA-N 1 1 524.639 4.601 50 0 KJAAMO COc1cccc(C[NH+]2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(C)cc3)CC2)c1OC ZINC000034683841 553986368 /nfs/dbraw/zinc/98/63/68/553986368.db2.gz OMULSXNLOMJNSL-UHFFFAOYSA-N 1 1 524.639 4.601 50 0 KJAAMO COc1cccc(N(C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000034683872 553986395 /nfs/dbraw/zinc/98/63/95/553986395.db2.gz VEYGEPSPYSGONI-UHFFFAOYSA-N 1 1 508.640 4.635 50 0 KJAAMO COc1cccc(N(C2CC[NH+](Cc3ccc(OC)cc3OC)CC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000034683875 553986375 /nfs/dbraw/zinc/98/63/75/553986375.db2.gz ULORAMFKOLYVAQ-UHFFFAOYSA-N 1 1 510.656 4.881 50 0 KJAAMO COc1ccc(C[NH+]2CCC(N(c3ccccc3)S(=O)(=O)c3ccc(C)cc3)CC2)c(OC)c1OC ZINC000034683892 553986271 /nfs/dbraw/zinc/98/62/71/553986271.db2.gz RJYQLOGCGBHPHT-UHFFFAOYSA-N 1 1 510.656 4.881 50 0 KJAAMO COc1ccc(C[NH+]2CCC(N(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)CC2)c(OC)c1OC ZINC000034683899 553986318 /nfs/dbraw/zinc/98/63/18/553986318.db2.gz LNJORIXIFKWJHN-UHFFFAOYSA-N 1 1 514.619 4.711 50 0 KJAAMO COc1ccc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccccc3)CC2)c(OC)c1OC ZINC000034683949 553986755 /nfs/dbraw/zinc/98/67/55/553986755.db2.gz ZIFWIPRIOALAIE-UHFFFAOYSA-N 1 1 510.656 4.881 50 0 KJAAMO COc1cccc(N(C2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000034683996 553986550 /nfs/dbraw/zinc/98/65/50/553986550.db2.gz VCUMLHCDMRCUHQ-UHFFFAOYSA-N 1 1 526.655 4.581 50 0 KJAAMO O=C(c1ccc(Cl)c(Cl)c1)N1CCO[C@H](C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000034685925 553988006 /nfs/dbraw/zinc/98/80/06/553988006.db2.gz LVETXHUTMQLAPV-LJQANCHMSA-N 1 1 502.364 4.675 50 0 KJAAMO O=C(c1ccc(Cl)c(Cl)c1)N1CCO[C@@H](C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000034685926 553988095 /nfs/dbraw/zinc/98/80/95/553988095.db2.gz LVETXHUTMQLAPV-IBGZPJMESA-N 1 1 502.364 4.675 50 0 KJAAMO O=C(Nc1cccc(Cl)c1)N1CCO[C@H](C[N@H+]2CCCN(C(=O)c3cccc4ccccc43)CC2)C1 ZINC000034692193 553990360 /nfs/dbraw/zinc/99/03/60/553990360.db2.gz MLBPSRCZDWXOLT-XMMPIXPASA-N 1 1 507.034 4.574 50 0 KJAAMO O=C(Nc1cccc(Cl)c1)N1CCO[C@H](C[N@@H+]2CCCN(C(=O)c3cccc4ccccc43)CC2)C1 ZINC000034692193 553990356 /nfs/dbraw/zinc/99/03/56/553990356.db2.gz MLBPSRCZDWXOLT-XMMPIXPASA-N 1 1 507.034 4.574 50 0 KJAAMO O=C(Nc1cccc(Cl)c1)N1CCO[C@@H](C[N@H+]2CCCN(C(=O)c3cccc4ccccc43)CC2)C1 ZINC000034692194 553990482 /nfs/dbraw/zinc/99/04/82/553990482.db2.gz MLBPSRCZDWXOLT-DEOSSOPVSA-N 1 1 507.034 4.574 50 0 KJAAMO O=C(Nc1cccc(Cl)c1)N1CCO[C@@H](C[N@@H+]2CCCN(C(=O)c3cccc4ccccc43)CC2)C1 ZINC000034692194 553990479 /nfs/dbraw/zinc/99/04/79/553990479.db2.gz MLBPSRCZDWXOLT-DEOSSOPVSA-N 1 1 507.034 4.574 50 0 KJAAMO O=C(Nc1ccccc1F)[C@@H](C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CCCO1)Oc1cccc(F)c1 ZINC000034708274 553994554 /nfs/dbraw/zinc/99/45/54/553994554.db2.gz CPCDVEWQORVTOI-WXVAWEFUSA-N 1 1 510.537 4.761 50 0 KJAAMO O=C(Nc1ccccc1F)[C@H](C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CCCO1)Oc1cccc(F)c1 ZINC000034708275 553994597 /nfs/dbraw/zinc/99/45/97/553994597.db2.gz CPCDVEWQORVTOI-CUNXSJBXSA-N 1 1 510.537 4.761 50 0 KJAAMO Cc1ccc(NC(=O)[C@@H](C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)Oc2cccc(F)c2)cc1 ZINC000034708276 553994613 /nfs/dbraw/zinc/99/46/13/553994613.db2.gz SRGHKSNBCVFOHT-LBNVMWSVSA-N 1 1 506.574 4.930 50 0 KJAAMO Cc1ccc(NC(=O)[C@H](C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)Oc2cccc(F)c2)cc1 ZINC000034708277 553994504 /nfs/dbraw/zinc/99/45/04/553994504.db2.gz SRGHKSNBCVFOHT-LSYYVWMOSA-N 1 1 506.574 4.930 50 0 KJAAMO COc1cccc(CN2CCC(c3nc(C)ccc3C(=O)N(CC[NH+](C)C)Cc3ccccc3)CC2)c1OC ZINC000034725592 553996761 /nfs/dbraw/zinc/99/67/61/553996761.db2.gz MFSUOTRCKXTDSD-UHFFFAOYSA-N 1 1 530.713 4.991 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000034746750 553998765 /nfs/dbraw/zinc/99/87/65/553998765.db2.gz YKBKMZGTVSOQOD-NDBXHCKUSA-N 1 1 517.507 4.855 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000034746750 553998762 /nfs/dbraw/zinc/99/87/62/553998762.db2.gz YKBKMZGTVSOQOD-NDBXHCKUSA-N 1 1 517.507 4.855 50 0 KJAAMO COc1cccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(Cc2ccc(C(F)(F)F)cc2)CC3)c1 ZINC000034755570 553999254 /nfs/dbraw/zinc/99/92/54/553999254.db2.gz RXALBRPQUUUASJ-UHFFFAOYSA-N 1 1 513.564 4.606 50 0 KJAAMO COc1ccccc1Oc1nc(N2CC[NH+](C)CC2)nc2c1CN(Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000034755620 553999082 /nfs/dbraw/zinc/99/90/82/553999082.db2.gz IZAPQTXXFVMSMB-UHFFFAOYSA-N 1 1 513.564 4.606 50 0 KJAAMO CC(C)c1ccc(NC(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4cccc(F)c4)c3C2)cc1 ZINC000034757055 554000007 /nfs/dbraw/zinc/00/00/07/554000007.db2.gz CGZJLXJYTRQEOG-UHFFFAOYSA-N 1 1 504.610 4.873 50 0 KJAAMO CC(C)c1ccc(NC(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccc(F)cc4)c3C2)cc1 ZINC000034757093 553999931 /nfs/dbraw/zinc/99/99/31/553999931.db2.gz CEQAMDFRVIWTTF-UHFFFAOYSA-N 1 1 504.610 4.873 50 0 KJAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)c(F)c4)n2)CN(C(=O)Nc2cccc(Cl)c2)CC3)CC1 ZINC000034757170 553999944 /nfs/dbraw/zinc/99/99/44/553999944.db2.gz ZBQIQKWDCCVISX-UHFFFAOYSA-N 1 1 514.964 4.543 50 0 KJAAMO Cc1cc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)Nc2cccc(Cl)c2)CC3)ccc1F ZINC000034757216 553999981 /nfs/dbraw/zinc/99/99/81/553999981.db2.gz XSGSQZPSDCIFSN-UHFFFAOYSA-N 1 1 511.001 4.712 50 0 KJAAMO COc1cccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)Nc2ccc(C(C)C)cc2)CC3)c1 ZINC000034757244 554000143 /nfs/dbraw/zinc/00/01/43/554000143.db2.gz MWMDTEVGFCIGTC-UHFFFAOYSA-N 1 1 516.646 4.743 50 0 KJAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)cc4F)n2)CN(C(=O)Nc2cccc(Cl)c2)CC3)CC1 ZINC000034757299 554000173 /nfs/dbraw/zinc/00/01/73/554000173.db2.gz LJDAKKBURISTJC-UHFFFAOYSA-N 1 1 514.964 4.543 50 0 KJAAMO COc1ccccc1Oc1nc(N2CC[NH+](C)CC2)nc2c1CN(C(=O)Nc1ccc(C(C)C)cc1)CC2 ZINC000034757356 554000193 /nfs/dbraw/zinc/00/01/93/554000193.db2.gz ZZQJEEYSXWWTPJ-UHFFFAOYSA-N 1 1 516.646 4.743 50 0 KJAAMO CC(C)c1ccc(NC(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccccc4F)c3C2)cc1 ZINC000034757477 554000134 /nfs/dbraw/zinc/00/01/34/554000134.db2.gz CVFNMTVMMXSRJY-UHFFFAOYSA-N 1 1 504.610 4.873 50 0 KJAAMO Cc1cccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2ccc(C(F)(F)F)cc2)CC3)c1 ZINC000034757878 554000447 /nfs/dbraw/zinc/00/04/47/554000447.db2.gz LOIGMDZKYCBTKL-UHFFFAOYSA-N 1 1 511.548 4.546 50 0 KJAAMO O=C(c1cccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000034761683 554002201 /nfs/dbraw/zinc/00/22/01/554002201.db2.gz AMFPOOXVCUSTBG-MEFGMAGPSA-N 1 1 511.647 4.924 50 0 KJAAMO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000034786951 554004324 /nfs/dbraw/zinc/00/43/24/554004324.db2.gz MKEHNZATCFOGHZ-RUZDIDTESA-N 1 1 514.478 4.987 50 0 KJAAMO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000034786951 554004320 /nfs/dbraw/zinc/00/43/20/554004320.db2.gz MKEHNZATCFOGHZ-RUZDIDTESA-N 1 1 514.478 4.987 50 0 KJAAMO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000034786953 554004587 /nfs/dbraw/zinc/00/45/87/554004587.db2.gz MKEHNZATCFOGHZ-VWLOTQADSA-N 1 1 514.478 4.987 50 0 KJAAMO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000034786953 554004584 /nfs/dbraw/zinc/00/45/84/554004584.db2.gz MKEHNZATCFOGHZ-VWLOTQADSA-N 1 1 514.478 4.987 50 0 KJAAMO CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000034787058 554004553 /nfs/dbraw/zinc/00/45/53/554004553.db2.gz OJRFSNAMOAOJOR-NDEPHWFRSA-N 1 1 501.696 4.978 50 0 KJAAMO CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000034787058 554004551 /nfs/dbraw/zinc/00/45/51/554004551.db2.gz OJRFSNAMOAOJOR-NDEPHWFRSA-N 1 1 501.696 4.978 50 0 KJAAMO CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000034787061 554004528 /nfs/dbraw/zinc/00/45/28/554004528.db2.gz OJRFSNAMOAOJOR-MUUNZHRXSA-N 1 1 501.696 4.978 50 0 KJAAMO CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000034787061 554004524 /nfs/dbraw/zinc/00/45/24/554004524.db2.gz OJRFSNAMOAOJOR-MUUNZHRXSA-N 1 1 501.696 4.978 50 0 KJAAMO CCCCOc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000034787103 554004403 /nfs/dbraw/zinc/00/44/03/554004403.db2.gz GXSWPRCUJZQVDS-LJAQVGFWSA-N 1 1 517.695 4.859 50 0 KJAAMO CCCCOc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000034787103 554004400 /nfs/dbraw/zinc/00/44/00/554004400.db2.gz GXSWPRCUJZQVDS-LJAQVGFWSA-N 1 1 517.695 4.859 50 0 KJAAMO CCCCOc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000034787106 554004285 /nfs/dbraw/zinc/00/42/85/554004285.db2.gz GXSWPRCUJZQVDS-GDLZYMKVSA-N 1 1 517.695 4.859 50 0 KJAAMO CCCCOc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000034787106 554004282 /nfs/dbraw/zinc/00/42/82/554004282.db2.gz GXSWPRCUJZQVDS-GDLZYMKVSA-N 1 1 517.695 4.859 50 0 KJAAMO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000034787140 554004413 /nfs/dbraw/zinc/00/44/13/554004413.db2.gz KQJFUINLLZVNML-RUZDIDTESA-N 1 1 513.585 4.699 50 0 KJAAMO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000034787140 554004410 /nfs/dbraw/zinc/00/44/10/554004410.db2.gz KQJFUINLLZVNML-RUZDIDTESA-N 1 1 513.585 4.699 50 0 KJAAMO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000034787143 554004484 /nfs/dbraw/zinc/00/44/84/554004484.db2.gz KQJFUINLLZVNML-VWLOTQADSA-N 1 1 513.585 4.699 50 0 KJAAMO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000034787143 554004482 /nfs/dbraw/zinc/00/44/82/554004482.db2.gz KQJFUINLLZVNML-VWLOTQADSA-N 1 1 513.585 4.699 50 0 KJAAMO CC[C@H](C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000034787753 554004961 /nfs/dbraw/zinc/00/49/61/554004961.db2.gz GLBOXORPOCNQSB-OUTSHDOLSA-N 1 1 501.696 4.869 50 0 KJAAMO CC[C@H](C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000034787753 554004955 /nfs/dbraw/zinc/00/49/55/554004955.db2.gz GLBOXORPOCNQSB-OUTSHDOLSA-N 1 1 501.696 4.869 50 0 KJAAMO CC[C@@H](C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000034787757 554004907 /nfs/dbraw/zinc/00/49/07/554004907.db2.gz GLBOXORPOCNQSB-GIGWZHCTSA-N 1 1 501.696 4.869 50 0 KJAAMO CC[C@@H](C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000034787757 554004903 /nfs/dbraw/zinc/00/49/03/554004903.db2.gz GLBOXORPOCNQSB-GIGWZHCTSA-N 1 1 501.696 4.869 50 0 KJAAMO CCc1ccc(C(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034788112 554005803 /nfs/dbraw/zinc/00/58/03/554005803.db2.gz DIMBSDAAOMZFRW-LJAQVGFWSA-N 1 1 501.696 4.941 50 0 KJAAMO CCc1ccc(C(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034788112 554005801 /nfs/dbraw/zinc/00/58/01/554005801.db2.gz DIMBSDAAOMZFRW-LJAQVGFWSA-N 1 1 501.696 4.941 50 0 KJAAMO CCc1ccc(C(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000034788116 554005910 /nfs/dbraw/zinc/00/59/10/554005910.db2.gz DIMBSDAAOMZFRW-GDLZYMKVSA-N 1 1 501.696 4.941 50 0 KJAAMO CCc1ccc(C(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000034788116 554005907 /nfs/dbraw/zinc/00/59/07/554005907.db2.gz DIMBSDAAOMZFRW-GDLZYMKVSA-N 1 1 501.696 4.941 50 0 KJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000034788148 554005769 /nfs/dbraw/zinc/00/57/69/554005769.db2.gz YELNLGBGSDWOKL-PVTPYKNESA-N 1 1 513.707 4.869 50 0 KJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000034788148 554005764 /nfs/dbraw/zinc/00/57/64/554005764.db2.gz YELNLGBGSDWOKL-PVTPYKNESA-N 1 1 513.707 4.869 50 0 KJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000034788153 554005894 /nfs/dbraw/zinc/00/58/94/554005894.db2.gz YELNLGBGSDWOKL-DURBRWELSA-N 1 1 513.707 4.869 50 0 KJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000034788153 554005890 /nfs/dbraw/zinc/00/58/90/554005890.db2.gz YELNLGBGSDWOKL-DURBRWELSA-N 1 1 513.707 4.869 50 0 KJAAMO CCc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccc(C)cc3)C[C@@H]2C)cc1 ZINC000034829770 554012520 /nfs/dbraw/zinc/01/25/20/554012520.db2.gz MWRUVEPUGSTJLS-ZTOMLWHTSA-N 1 1 501.696 4.940 50 0 KJAAMO CCc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccc(C)cc3)C[C@@H]2C)cc1 ZINC000034829770 554012518 /nfs/dbraw/zinc/01/25/18/554012518.db2.gz MWRUVEPUGSTJLS-ZTOMLWHTSA-N 1 1 501.696 4.940 50 0 KJAAMO CCc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccc(C)cc3)C[C@H]2C)cc1 ZINC000034829771 554012532 /nfs/dbraw/zinc/01/25/32/554012532.db2.gz MWRUVEPUGSTJLS-MNNSJKJDSA-N 1 1 501.696 4.940 50 0 KJAAMO CCc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccc(C)cc3)C[C@H]2C)cc1 ZINC000034829771 554012529 /nfs/dbraw/zinc/01/25/29/554012529.db2.gz MWRUVEPUGSTJLS-MNNSJKJDSA-N 1 1 501.696 4.940 50 0 KJAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)[C@H](C)C2)cc1 ZINC000034829780 554012567 /nfs/dbraw/zinc/01/25/67/554012567.db2.gz RPPVWSNNGOQVHB-LOKNXAPISA-N 1 1 513.707 4.867 50 0 KJAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)[C@H](C)C2)cc1 ZINC000034829780 554012564 /nfs/dbraw/zinc/01/25/64/554012564.db2.gz RPPVWSNNGOQVHB-LOKNXAPISA-N 1 1 513.707 4.867 50 0 KJAAMO CCc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)C[C@@H]2C)cc1 ZINC000034829848 554012931 /nfs/dbraw/zinc/01/29/31/554012931.db2.gz LASBGOTXSQHRTQ-ZTOMLWHTSA-N 1 1 501.696 4.940 50 0 KJAAMO CCc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)C[C@@H]2C)cc1 ZINC000034829848 554012927 /nfs/dbraw/zinc/01/29/27/554012927.db2.gz LASBGOTXSQHRTQ-ZTOMLWHTSA-N 1 1 501.696 4.940 50 0 KJAAMO CCc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)C[C@H]2C)cc1 ZINC000034829849 554013196 /nfs/dbraw/zinc/01/31/96/554013196.db2.gz LASBGOTXSQHRTQ-MNNSJKJDSA-N 1 1 501.696 4.940 50 0 KJAAMO CCc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)C[C@H]2C)cc1 ZINC000034829849 554013191 /nfs/dbraw/zinc/01/31/91/554013191.db2.gz LASBGOTXSQHRTQ-MNNSJKJDSA-N 1 1 501.696 4.940 50 0 KJAAMO O=C(CC[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034830068 554014458 /nfs/dbraw/zinc/01/44/58/554014458.db2.gz SOPMDKDFKHWNTO-GDLZYMKVSA-N 1 1 505.659 4.528 50 0 KJAAMO O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034830069 554014510 /nfs/dbraw/zinc/01/45/10/554014510.db2.gz SOPMDKDFKHWNTO-LJAQVGFWSA-N 1 1 505.659 4.528 50 0 KJAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000034830118 554014466 /nfs/dbraw/zinc/01/44/66/554014466.db2.gz QBCOHNWRCKPACX-PBBNMVCDSA-N 1 1 505.659 4.527 50 0 KJAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000034830119 554014353 /nfs/dbraw/zinc/01/43/53/554014353.db2.gz QBCOHNWRCKPACX-LGGPFLRQSA-N 1 1 505.659 4.527 50 0 KJAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CCC(=O)N2CCN(C(=O)Cc3cccs3)[C@H](C)C2)cc1 ZINC000034830166 554014744 /nfs/dbraw/zinc/01/47/44/554014744.db2.gz CTEHXRQEQQCVBJ-LYZGTLIUSA-N 1 1 507.725 4.758 50 0 KJAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CCC(=O)N2CCN(C(=O)Cc3cccs3)[C@H](C)C2)cc1 ZINC000034830167 554014774 /nfs/dbraw/zinc/01/47/74/554014774.db2.gz CTEHXRQEQQCVBJ-PIKZIKFNSA-N 1 1 507.725 4.758 50 0 KJAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CCC(=O)N2CCN(C(=O)COCc3ccccc3)[C@H](C)C2)cc1 ZINC000034830180 554014911 /nfs/dbraw/zinc/01/49/11/554014911.db2.gz WZYVGEXOYLSODU-WBBHLRKXSA-N 1 1 531.722 4.670 50 0 KJAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CCC(=O)N2CCN(C(=O)COCc3ccccc3)[C@H](C)C2)cc1 ZINC000034830181 554014826 /nfs/dbraw/zinc/01/48/26/554014826.db2.gz WZYVGEXOYLSODU-XJFCNFDWSA-N 1 1 531.722 4.670 50 0 KJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCCN(C(=O)Cc2cccs2)CC1 ZINC000034830240 554014866 /nfs/dbraw/zinc/01/48/66/554014866.db2.gz FQRGDIJTEPTLQR-MUUNZHRXSA-N 1 1 507.725 4.759 50 0 KJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCCN(C(=O)Cc2cccs2)CC1 ZINC000034830241 554014755 /nfs/dbraw/zinc/01/47/55/554014755.db2.gz FQRGDIJTEPTLQR-NDEPHWFRSA-N 1 1 507.725 4.759 50 0 KJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCCN(C(=O)COc2ccccc2)CC1 ZINC000034830244 554014785 /nfs/dbraw/zinc/01/47/85/554014785.db2.gz ROERCUKCFNFXPG-SSEXGKCCSA-N 1 1 517.695 4.534 50 0 KJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCCN(C(=O)COc2ccccc2)CC1 ZINC000034830245 554014903 /nfs/dbraw/zinc/01/49/03/554014903.db2.gz ROERCUKCFNFXPG-PMERELPUSA-N 1 1 517.695 4.534 50 0 KJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034830252 554015184 /nfs/dbraw/zinc/01/51/84/554015184.db2.gz DDYSKUAQZWGPOI-SSEXGKCCSA-N 1 1 519.686 4.837 50 0 KJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034830253 554015379 /nfs/dbraw/zinc/01/53/79/554015379.db2.gz DDYSKUAQZWGPOI-PMERELPUSA-N 1 1 519.686 4.837 50 0 KJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)COc2ccccc2)[C@H](C)C1 ZINC000034830272 554015235 /nfs/dbraw/zinc/01/52/35/554015235.db2.gz OQAOFUTVSOTAKC-WVXBCFDCSA-N 1 1 517.695 4.532 50 0 KJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)COc2ccccc2)[C@H](C)C1 ZINC000034830273 554015322 /nfs/dbraw/zinc/01/53/22/554015322.db2.gz OQAOFUTVSOTAKC-DJUQAAIZSA-N 1 1 517.695 4.532 50 0 KJAAMO CCc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034830356 554015283 /nfs/dbraw/zinc/01/52/83/554015283.db2.gz HYIFNWWCDWBPAL-DFHRPNOPSA-N 1 1 501.696 4.940 50 0 KJAAMO CCc1ccc(C(=O)N2CCN(C(=O)[C@H](C)[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034830357 554015178 /nfs/dbraw/zinc/01/51/78/554015178.db2.gz HYIFNWWCDWBPAL-DWACAAAGSA-N 1 1 501.696 4.940 50 0 KJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000034830364 554015258 /nfs/dbraw/zinc/01/52/58/554015258.db2.gz KFARHHAATVLQPD-DTIFBSDHSA-N 1 1 513.707 4.867 50 0 KJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)Cc2cccs2)CC1 ZINC000034830402 554015583 /nfs/dbraw/zinc/01/55/83/554015583.db2.gz PPJXBHVERXQFAG-KDYSTLNUSA-N 1 1 507.725 4.758 50 0 KJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)Cc2cccs2)CC1 ZINC000034830403 554015644 /nfs/dbraw/zinc/01/56/44/554015644.db2.gz PPJXBHVERXQFAG-IDISGSTGSA-N 1 1 507.725 4.758 50 0 KJAAMO COc1ccc(CC(=O)N2CCCN(C(=O)[C@H](C)[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000034830412 554015623 /nfs/dbraw/zinc/01/56/23/554015623.db2.gz UUWZYDIYLQFQHI-YUDQIZAISA-N 1 1 531.722 4.705 50 0 KJAAMO COc1ccc(CC(=O)N2CCCN(C(=O)[C@H](C)[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034830413 554015694 /nfs/dbraw/zinc/01/56/94/554015694.db2.gz UUWZYDIYLQFQHI-JHOBJCJYSA-N 1 1 531.722 4.705 50 0 KJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000034830418 554015788 /nfs/dbraw/zinc/01/57/88/554015788.db2.gz WFQMAZIXUZIYPM-KDYSTLNUSA-N 1 1 505.659 4.906 50 0 KJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000034830419 554015568 /nfs/dbraw/zinc/01/55/68/554015568.db2.gz WFQMAZIXUZIYPM-IDISGSTGSA-N 1 1 505.659 4.906 50 0 KJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034830426 554015739 /nfs/dbraw/zinc/01/57/39/554015739.db2.gz SZSVCDMMIBRXBM-PZGXJGMVSA-N 1 1 519.686 4.835 50 0 KJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034830427 554015717 /nfs/dbraw/zinc/01/57/17/554015717.db2.gz SZSVCDMMIBRXBM-ZTOMLWHTSA-N 1 1 519.686 4.835 50 0 KJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)COCc2ccccc2)CC1 ZINC000034830436 554015705 /nfs/dbraw/zinc/01/57/05/554015705.db2.gz BCYZFUVJTVSGNR-QABMSTFYSA-N 1 1 531.722 4.670 50 0 KJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)COCc2ccccc2)CC1 ZINC000034830437 554015543 /nfs/dbraw/zinc/01/55/43/554015543.db2.gz BCYZFUVJTVSGNR-NGQVCNFZSA-N 1 1 531.722 4.670 50 0 KJAAMO O=C(CC[N@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000034830450 554016015 /nfs/dbraw/zinc/01/60/15/554016015.db2.gz CIHIHTILFPPUDB-AREMUKBSSA-N 1 1 512.050 4.863 50 0 KJAAMO O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000034830451 554016036 /nfs/dbraw/zinc/01/60/36/554016036.db2.gz CIHIHTILFPPUDB-SANMLTNESA-N 1 1 512.050 4.863 50 0 KJAAMO CCc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000034830494 554016048 /nfs/dbraw/zinc/01/60/48/554016048.db2.gz ZTSCRNWIKIOAIX-NDEPHWFRSA-N 1 1 505.659 4.772 50 0 KJAAMO CCc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000034830495 554015979 /nfs/dbraw/zinc/01/59/79/554015979.db2.gz ZTSCRNWIKIOAIX-MUUNZHRXSA-N 1 1 505.659 4.772 50 0 KJAAMO Cc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000034830516 554015972 /nfs/dbraw/zinc/01/59/72/554015972.db2.gz GHPIKNYQTUTXCM-KMRXNPHXSA-N 1 1 505.659 4.906 50 0 KJAAMO Cc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000034830517 554016247 /nfs/dbraw/zinc/01/62/47/554016247.db2.gz GHPIKNYQTUTXCM-PIKZIKFNSA-N 1 1 505.659 4.906 50 0 KJAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Cc1cccs1 ZINC000034830532 554016060 /nfs/dbraw/zinc/01/60/60/554016060.db2.gz XTFCODZKEGEUJZ-WINIVTDRSA-N 1 1 511.688 4.588 50 0 KJAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Cc1cccs1 ZINC000034830533 554016238 /nfs/dbraw/zinc/01/62/38/554016238.db2.gz XTFCODZKEGEUJZ-PPHZAIPVSA-N 1 1 511.688 4.588 50 0 KJAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000034830548 554016170 /nfs/dbraw/zinc/01/61/70/554016170.db2.gz SMJBVKRFXXMFFP-OLILMLBXSA-N 1 1 523.649 4.666 50 0 KJAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000034830549 554016257 /nfs/dbraw/zinc/01/62/57/554016257.db2.gz SMJBVKRFXXMFFP-WRONEBCDSA-N 1 1 523.649 4.666 50 0 KJAAMO Cc1ccc(NC(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000034830578 554016477 /nfs/dbraw/zinc/01/64/77/554016477.db2.gz NALXZRDRFVCSAZ-MHZLTWQESA-N 1 1 506.647 4.910 50 0 KJAAMO Cc1ccc(NC(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000034830579 554016510 /nfs/dbraw/zinc/01/65/10/554016510.db2.gz NALXZRDRFVCSAZ-HHHXNRCGSA-N 1 1 506.647 4.910 50 0 KJAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)NC1CCCCC1 ZINC000034830582 554016696 /nfs/dbraw/zinc/01/66/96/554016696.db2.gz QEAXXCYAUKMUEJ-HRFSGMKKSA-N 1 1 512.695 4.800 50 0 KJAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)NC1CCCCC1 ZINC000034830583 554016704 /nfs/dbraw/zinc/01/67/04/554016704.db2.gz QEAXXCYAUKMUEJ-DCFHFQCYSA-N 1 1 512.695 4.800 50 0 KJAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)NCc1ccccc1 ZINC000034830588 554016669 /nfs/dbraw/zinc/01/66/69/554016669.db2.gz GWVPYOARSCMZKI-PIKZIKFNSA-N 1 1 520.674 4.667 50 0 KJAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)NCc1ccccc1 ZINC000034830589 554016490 /nfs/dbraw/zinc/01/64/90/554016490.db2.gz GWVPYOARSCMZKI-KMRXNPHXSA-N 1 1 520.674 4.667 50 0 KJAAMO CC[NH+]1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000034919527 554030656 /nfs/dbraw/zinc/03/06/56/554030656.db2.gz QKCGDPRGQFMRIP-QFIPXVFZSA-N 1 1 512.720 4.777 50 0 KJAAMO CC[NH+]1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2S(=O)(=O)N[C@H](C)c2ccccc2)CC1 ZINC000034919529 554030692 /nfs/dbraw/zinc/03/06/92/554030692.db2.gz QKCGDPRGQFMRIP-JOCHJYFZSA-N 1 1 512.720 4.777 50 0 KJAAMO CCc1ccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)cc1 ZINC000034919554 554030708 /nfs/dbraw/zinc/03/07/08/554030708.db2.gz RDLRTRZENBYOLF-QFIPXVFZSA-N 1 1 520.699 4.683 50 0 KJAAMO CCc1ccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(S(=O)(=O)N[C@H](C)c3ccccc3)c2)cc1 ZINC000034919556 554030643 /nfs/dbraw/zinc/03/06/43/554030643.db2.gz RDLRTRZENBYOLF-JOCHJYFZSA-N 1 1 520.699 4.683 50 0 KJAAMO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000034919559 554030753 /nfs/dbraw/zinc/03/07/53/554030753.db2.gz JIVFUCFRGURYLO-IOUNIBQOSA-N 1 1 518.683 4.520 50 0 KJAAMO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2S(=O)(=O)N[C@H](C)c2ccccc2)CC1 ZINC000034919561 554030719 /nfs/dbraw/zinc/03/07/19/554030719.db2.gz JIVFUCFRGURYLO-AKXFXYSNSA-N 1 1 518.683 4.520 50 0 KJAAMO CC[NH+]1CCN(c2ccc(NC(=O)C3CCCCC3)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000034919602 554030830 /nfs/dbraw/zinc/03/08/30/554030830.db2.gz FCLOWZFBNRNCBE-AREMUKBSSA-N 1 1 524.731 4.703 50 0 KJAAMO CC[NH+]1CCN(c2ccc(NC(=O)C3CCCCC3)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000034919604 554030675 /nfs/dbraw/zinc/03/06/75/554030675.db2.gz FCLOWZFBNRNCBE-SANMLTNESA-N 1 1 524.731 4.703 50 0 KJAAMO CCCCCC(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000034919617 554030625 /nfs/dbraw/zinc/03/06/25/554030625.db2.gz CPOXAFMVHNAMIV-RUZDIDTESA-N 1 1 512.720 4.703 50 0 KJAAMO CCCCCC(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(S(=O)(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000034919619 554030728 /nfs/dbraw/zinc/03/07/28/554030728.db2.gz CPOXAFMVHNAMIV-VWLOTQADSA-N 1 1 512.720 4.703 50 0 KJAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3C)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000034919621 554030636 /nfs/dbraw/zinc/03/06/36/554030636.db2.gz CNGZCJSDZQAVFY-HHHXNRCGSA-N 1 1 532.710 4.745 50 0 KJAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3C)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000034919624 554030778 /nfs/dbraw/zinc/03/07/78/554030778.db2.gz CNGZCJSDZQAVFY-MHZLTWQESA-N 1 1 532.710 4.745 50 0 KJAAMO COc1cccc([C@@H]2[C@H](C(=O)N3CC[NH+](Cc4ccc(C)cc4)CC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928129 554032462 /nfs/dbraw/zinc/03/24/62/554032462.db2.gz ZYFXSFGJHDDIKC-LOYHVIPDSA-N 1 1 509.650 4.791 50 0 KJAAMO COc1cccc([C@@H]2[C@@H](C(=O)N3CC[NH+](Cc4ccc(C)cc4)CC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928130 554032498 /nfs/dbraw/zinc/03/24/98/554032498.db2.gz ZYFXSFGJHDDIKC-XZWHSSHBSA-N 1 1 509.650 4.791 50 0 KJAAMO COc1cccc([C@H]2[C@H](C(=O)N3CC[NH+](Cc4ccc(C)cc4)CC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928131 554032504 /nfs/dbraw/zinc/03/25/04/554032504.db2.gz ZYFXSFGJHDDIKC-IHLOFXLRSA-N 1 1 509.650 4.791 50 0 KJAAMO COc1cccc([C@H]2[C@@H](C(=O)N3CC[NH+](Cc4ccc(C)cc4)CC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928132 554032695 /nfs/dbraw/zinc/03/26/95/554032695.db2.gz ZYFXSFGJHDDIKC-KYJUHHDHSA-N 1 1 509.650 4.791 50 0 KJAAMO COc1cccc([C@@H]2[C@H](C(=O)N3CC[NH+](CCc4ccccc4)CC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928133 554032667 /nfs/dbraw/zinc/03/26/67/554032667.db2.gz OBQRQMDQTUNYEN-LOYHVIPDSA-N 1 1 509.650 4.525 50 0 KJAAMO COc1cccc([C@H]2[C@H](C(=O)N3CC[NH+](CCc4ccccc4)CC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928134 554032726 /nfs/dbraw/zinc/03/27/26/554032726.db2.gz OBQRQMDQTUNYEN-IHLOFXLRSA-N 1 1 509.650 4.525 50 0 KJAAMO COc1cccc([C@@H]2[C@@H](C(=O)N3CC[NH+](CCc4ccccc4)CC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928135 554032664 /nfs/dbraw/zinc/03/26/64/554032664.db2.gz OBQRQMDQTUNYEN-XZWHSSHBSA-N 1 1 509.650 4.525 50 0 KJAAMO COc1cccc([C@H]2[C@@H](C(=O)N3CC[NH+](CCc4ccccc4)CC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928136 554032659 /nfs/dbraw/zinc/03/26/59/554032659.db2.gz OBQRQMDQTUNYEN-KYJUHHDHSA-N 1 1 509.650 4.525 50 0 KJAAMO O=C(Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@H+](Cc1ccccc1)CC2)NCCC1=CCCCC1 ZINC000035372054 554044803 /nfs/dbraw/zinc/04/48/03/554044803.db2.gz AQWFGISJQZKDJN-UHFFFAOYSA-N 1 1 500.618 4.614 50 0 KJAAMO O=C(Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@@H+](Cc1ccccc1)CC2)NCCC1=CCCCC1 ZINC000035372054 554044801 /nfs/dbraw/zinc/04/48/01/554044801.db2.gz AQWFGISJQZKDJN-UHFFFAOYSA-N 1 1 500.618 4.614 50 0 KJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@]2(C)Cn3c4ccoc4cc3C(=O)N2Cc2ccc(Cl)cc2)C1 ZINC000035538403 554058956 /nfs/dbraw/zinc/05/89/56/554058956.db2.gz VEFCTODYUJSSDH-BCDQWZCSSA-N 1 1 511.066 4.787 50 0 KJAAMO Nc1c2c(nn1-c1cccc(F)c1)nc(N1CC[NH+](Cc3ccc(F)cc3)CC1)nc2-c1ccc(F)cc1 ZINC000035577081 554061474 /nfs/dbraw/zinc/06/14/74/554061474.db2.gz UMXDKTRKVYTFLJ-UHFFFAOYSA-N 1 1 515.543 4.804 50 0 KJAAMO O=C(CN(CCC[NH+]1CCOCC1)C(=O)c1ccc2ccccc2c1)N(Cc1ccco1)Cc1ccccc1 ZINC000035767185 554071688 /nfs/dbraw/zinc/07/16/88/554071688.db2.gz TVYFWPYUVQYGQM-UHFFFAOYSA-N 1 1 525.649 4.826 50 0 KJAAMO Cc1ccc(NC(=O)N(CCC[NH+]2CCOCC2)CC(=O)N(Cc2ccco2)Cc2ccccc2)cc1C ZINC000035767801 554071886 /nfs/dbraw/zinc/07/18/86/554071886.db2.gz JTSXGONNJAVNEU-UHFFFAOYSA-N 1 1 518.658 4.682 50 0 KJAAMO Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC[NH+]2CCCC2)S(=O)(=O)c2ccccc2)s1 ZINC000035808339 554077283 /nfs/dbraw/zinc/07/72/83/554077283.db2.gz JBUXGSDCRRTXQS-UHFFFAOYSA-N 1 1 529.703 4.511 50 0 KJAAMO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)cc1)C[C@@H](O)C(C)C ZINC000035842570 554080951 /nfs/dbraw/zinc/08/09/51/554080951.db2.gz GYNKCUIGPDZAIS-HHHXNRCGSA-N 1 1 500.083 4.748 50 0 KJAAMO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)cc1)C[C@H](O)C(C)C ZINC000035842572 554080942 /nfs/dbraw/zinc/08/09/42/554080942.db2.gz GYNKCUIGPDZAIS-MHZLTWQESA-N 1 1 500.083 4.748 50 0 KJAAMO CCOCCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(C(=O)OC)c1 ZINC000035844938 554083301 /nfs/dbraw/zinc/08/33/01/554083301.db2.gz DGUMRIYTISJKLH-UHFFFAOYSA-N 1 1 506.643 4.875 50 0 KJAAMO CCOCCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(C(=O)OC)c1 ZINC000035844938 554083296 /nfs/dbraw/zinc/08/32/96/554083296.db2.gz DGUMRIYTISJKLH-UHFFFAOYSA-N 1 1 506.643 4.875 50 0 KJAAMO O=C(NCc1ccncc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000035871389 554085772 /nfs/dbraw/zinc/08/57/72/554085772.db2.gz ZTGVLJJBPMKFQS-ZCYQVOJMSA-N 1 1 514.979 4.933 50 0 KJAAMO O=C(NCCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@H]12 ZINC000035871469 554085736 /nfs/dbraw/zinc/08/57/36/554085736.db2.gz SYROLYWEHCVWLN-IXCJQBJRSA-N 1 1 507.600 4.970 50 0 KJAAMO O=C(NCCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@H]12 ZINC000035871470 554086258 /nfs/dbraw/zinc/08/62/58/554086258.db2.gz SYROLYWEHCVWLN-XTEPFMGCSA-N 1 1 507.600 4.970 50 0 KJAAMO O=C(NCCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@H]12 ZINC000035871577 554086159 /nfs/dbraw/zinc/08/61/59/554086159.db2.gz JCIMJTRACYBVAQ-IXCJQBJRSA-N 1 1 523.599 4.806 50 0 KJAAMO O=C(NCCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@H]12 ZINC000035871578 554086097 /nfs/dbraw/zinc/08/60/97/554086097.db2.gz JCIMJTRACYBVAQ-XTEPFMGCSA-N 1 1 523.599 4.806 50 0 KJAAMO O=C(NC1CCCCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@@H]12 ZINC000035908101 554092478 /nfs/dbraw/zinc/09/24/78/554092478.db2.gz LPDJEUBNJJYJDW-AHWVRZQESA-N 1 1 501.593 4.896 50 0 KJAAMO O=C(NCc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@@H]12 ZINC000035908104 554092297 /nfs/dbraw/zinc/09/22/97/554092297.db2.gz FEQBREXZEAPRIC-BDYUSTAISA-N 1 1 527.562 4.903 50 0 KJAAMO O=C(NCCc1cccs1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@@H]12 ZINC000035908106 554092373 /nfs/dbraw/zinc/09/23/73/554092373.db2.gz DZTFKAWHGUYVKI-AHWVRZQESA-N 1 1 529.628 4.868 50 0 KJAAMO CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CC[NH+](Cc3ccc(OC)cc3OC)CC2)n1 ZINC000035924689 554097001 /nfs/dbraw/zinc/09/70/01/554097001.db2.gz KGZYCBDEZCOLIN-UHFFFAOYSA-N 1 1 500.647 4.806 50 0 KJAAMO CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CC[NH+](Cc3cccc(OC)c3OC)CC2)n1 ZINC000035924690 554097036 /nfs/dbraw/zinc/09/70/36/554097036.db2.gz QLHDZCBCEMHQQA-UHFFFAOYSA-N 1 1 500.647 4.806 50 0 KJAAMO Nc1c2c(nn1Cc1ccccc1)nc(N1CC[NH+](Cc3ccc(F)cc3)CC1)nc2-c1ccc(F)cc1 ZINC000035929922 554101692 /nfs/dbraw/zinc/10/16/92/554101692.db2.gz JMCJJUHKWWRBNX-UHFFFAOYSA-N 1 1 511.580 4.724 50 0 KJAAMO Nc1c2c(nn1-c1ccc(F)cc1)nc(N1CC[NH+](Cc3ccc(F)cc3)CC1)nc2-c1ccc(F)cc1 ZINC000035930116 554101766 /nfs/dbraw/zinc/10/17/66/554101766.db2.gz RDRSOKSYMVGHFT-UHFFFAOYSA-N 1 1 515.543 4.804 50 0 KJAAMO O=C([C@@H](Cc1ccccc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000035958702 554108098 /nfs/dbraw/zinc/10/80/98/554108098.db2.gz ZHJKKJFZCXMXKG-DYIKCSJPSA-N 1 1 535.688 4.707 50 0 KJAAMO Cc1c2c(cc(=O)n1CCC[NH+]1CCOCC1)n(CC(=O)Nc1ccc(Cl)c(Cl)c1)n(-c1nc3ccccc3s1)c2=O ZINC000035982608 554118712 /nfs/dbraw/zinc/11/87/12/554118712.db2.gz VNHDQULKAQJUQY-UHFFFAOYSA-N 1 1 627.554 4.540 50 0 KJAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)c(C(=O)N2CCCC2)c1)c1ccc(F)cc1 ZINC000035993493 554127006 /nfs/dbraw/zinc/12/70/06/554127006.db2.gz SPQHLQVBKULPQH-UHFFFAOYSA-N 1 1 504.581 4.775 50 0 KJAAMO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)c(C(=O)N3CCCC3)c2)cc1 ZINC000035993497 554127254 /nfs/dbraw/zinc/12/72/54/554127254.db2.gz JJSUHQKWSZYGMM-UHFFFAOYSA-N 1 1 516.617 4.645 50 0 KJAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)c(C(=O)N2CCCC2)c1)c1ccccc1F ZINC000035993501 554127344 /nfs/dbraw/zinc/12/73/44/554127344.db2.gz RDMYLBDRKCGHTE-UHFFFAOYSA-N 1 1 504.581 4.775 50 0 KJAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)c(C(=O)N2CCCC2)c1)c1cccc(F)c1 ZINC000035993502 554127364 /nfs/dbraw/zinc/12/73/64/554127364.db2.gz MHRQBVVHDBJWCQ-UHFFFAOYSA-N 1 1 504.581 4.775 50 0 KJAAMO COc1cccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)c(C(=O)N3CCCC3)c2)c1 ZINC000035993504 554127387 /nfs/dbraw/zinc/12/73/87/554127387.db2.gz FUODYPQOGSOZLM-UHFFFAOYSA-N 1 1 516.617 4.645 50 0 KJAAMO CC[NH+]1CCN(C(=O)CCN(c2nc(-c3cccc(Br)c3)nc3ccccc32)C2CC2)CC1 ZINC000036000664 554127807 /nfs/dbraw/zinc/12/78/07/554127807.db2.gz VOOJPPSLOJIHLF-UHFFFAOYSA-N 1 1 508.464 4.582 50 0 KJAAMO CC[NH+]1CCN(C(=O)CN(Cc2ccccc2)C(=O)c2csc(Nc3cc(Cl)ccc3C)n2)CC1 ZINC000036010926 554132752 /nfs/dbraw/zinc/13/27/52/554132752.db2.gz VRWKENZFMPXBJI-UHFFFAOYSA-N 1 1 512.079 4.655 50 0 KJAAMO CC(C)Cn1c(CN(CC[NH+](C)C)C(=O)Nc2cccc(Cl)c2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036031381 554144908 /nfs/dbraw/zinc/14/49/08/554144908.db2.gz MOSQQZHKWCHACC-UHFFFAOYSA-N 1 1 532.110 4.762 50 0 KJAAMO CCNC(=O)c1ccc(CSc2nc(COC)cc(N3CC[NH+](C/C=C/c4ccccc4)CC3)n2)cc1 ZINC000036053926 554159084 /nfs/dbraw/zinc/15/90/84/554159084.db2.gz ATZIXNHMHRMHQN-JXMROGBWSA-N 1 1 517.699 4.500 50 0 KJAAMO C[NH+]1CCN(C(=O)c2cccc(Nc3c(Oc4ccc(Cl)cc4)cnn(-c4ccccc4)c3=O)c2)CC1 ZINC000036061562 554161557 /nfs/dbraw/zinc/16/15/57/554161557.db2.gz CWPPKOYQEGQRDB-UHFFFAOYSA-N 1 1 516.001 4.809 50 0 KJAAMO C[NH+]1CCN(C(=O)c2cccc(Nc3c(Oc4ccccc4)cnn(-c4ccc(Cl)cc4)c3=O)c2)CC1 ZINC000036063788 554162670 /nfs/dbraw/zinc/16/26/70/554162670.db2.gz YTURGPXOAWJCJN-UHFFFAOYSA-N 1 1 516.001 4.809 50 0 KJAAMO COCCNC(=O)c1cccc(CSc2nc(C)c(C)c(N3CC[NH+](C/C=C/c4ccccc4)CC3)n2)c1 ZINC000036064119 554162928 /nfs/dbraw/zinc/16/29/28/554162928.db2.gz MUAOJZOZGIUDFP-XYOKQWHBSA-N 1 1 531.726 4.597 50 0 KJAAMO CCNC(=O)c1cccc(CSc2nc(C)c(C)c(N3CC[NH+](C/C=C/c4ccccc4)CC3)n2)c1 ZINC000036064120 554162945 /nfs/dbraw/zinc/16/29/45/554162945.db2.gz ZVYZQJZEKUMFJI-UKTHLTGXSA-N 1 1 501.700 4.971 50 0 KJAAMO COCCNC(=O)c1ccc(CSc2nc(C)c(C)c(N3CC[NH+](C/C=C/c4ccccc4)CC3)n2)cc1 ZINC000036064185 554163252 /nfs/dbraw/zinc/16/32/52/554163252.db2.gz AZQXCHPQVPQLIT-JXMROGBWSA-N 1 1 531.726 4.597 50 0 KJAAMO CCNC(=O)c1ccc(CSc2nc(C)c(C)c(N3CC[NH+](C/C=C/c4ccccc4)CC3)n2)cc1 ZINC000036064187 554163290 /nfs/dbraw/zinc/16/32/90/554163290.db2.gz JJKRNZHOLDFTRE-DHZHZOJOSA-N 1 1 501.700 4.971 50 0 KJAAMO Cc1cccc(Oc2cnn(-c3ccccc3)c(=O)c2Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)c1C ZINC000036084787 554175747 /nfs/dbraw/zinc/17/57/47/554175747.db2.gz BGNJNVXUYCWTTP-UHFFFAOYSA-N 1 1 509.610 4.773 50 0 KJAAMO Cc1cccc(Oc2cnn(-c3ccccc3)c(=O)c2Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1C ZINC000036084801 554175659 /nfs/dbraw/zinc/17/56/59/554175659.db2.gz PIJVLSPPCGQDHZ-UHFFFAOYSA-N 1 1 509.610 4.773 50 0 KJAAMO CC[NH+]1CCN(C(=O)c2ccc(Nc3c(Oc4ccccc4)cnn(-c4ccc(F)cc4)c3=O)cc2)CC1 ZINC000036094176 554178178 /nfs/dbraw/zinc/17/81/78/554178178.db2.gz GTDFFUOKIBVNCZ-UHFFFAOYSA-N 1 1 513.573 4.685 50 0 KJAAMO Cc1ccc(Oc2cnn(-c3ccc(F)cc3)c(=O)c2Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000036094581 554178499 /nfs/dbraw/zinc/17/84/99/554178499.db2.gz GBPSXPOEEQULGM-UHFFFAOYSA-N 1 1 513.573 4.604 50 0 KJAAMO COCC[N@@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccc2c(c1)OCO2 ZINC000036145510 554197716 /nfs/dbraw/zinc/19/77/16/554197716.db2.gz XCUNLRINAIRGKK-UHFFFAOYSA-N 1 1 531.605 4.958 50 0 KJAAMO COCC[N@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccc2c(c1)OCO2 ZINC000036145510 554197712 /nfs/dbraw/zinc/19/77/12/554197712.db2.gz XCUNLRINAIRGKK-UHFFFAOYSA-N 1 1 531.605 4.958 50 0 KJAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146152 554198129 /nfs/dbraw/zinc/19/81/29/554198129.db2.gz JGQCBNIUJTWGMB-RPWUZVMVSA-N 1 1 509.002 4.642 50 0 KJAAMO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146152 554198127 /nfs/dbraw/zinc/19/81/27/554198127.db2.gz JGQCBNIUJTWGMB-RPWUZVMVSA-N 1 1 509.002 4.642 50 0 KJAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146155 554198177 /nfs/dbraw/zinc/19/81/77/554198177.db2.gz JGQCBNIUJTWGMB-ZEQRLZLVSA-N 1 1 509.002 4.642 50 0 KJAAMO O[C@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146155 554198175 /nfs/dbraw/zinc/19/81/75/554198175.db2.gz JGQCBNIUJTWGMB-ZEQRLZLVSA-N 1 1 509.002 4.642 50 0 KJAAMO COc1ccc(-c2csc3[nH]c(C[N@@H+](CCC(C)C)C[C@H](O)COCC(C)C)nc(=O)c23)cc1OC ZINC000036206039 554201619 /nfs/dbraw/zinc/20/16/19/554201619.db2.gz VUSDUGSFMKUWKG-FQEVSTJZSA-N 1 1 517.692 4.550 50 0 KJAAMO COc1ccc(-c2csc3[nH]c(C[N@H+](CCC(C)C)C[C@H](O)COCC(C)C)nc(=O)c23)cc1OC ZINC000036206039 554201616 /nfs/dbraw/zinc/20/16/16/554201616.db2.gz VUSDUGSFMKUWKG-FQEVSTJZSA-N 1 1 517.692 4.550 50 0 KJAAMO COc1ccc(-c2csc3[nH]c(C[N@@H+](CCC(C)C)C[C@@H](O)COCC(C)C)nc(=O)c23)cc1OC ZINC000036206042 554201742 /nfs/dbraw/zinc/20/17/42/554201742.db2.gz VUSDUGSFMKUWKG-HXUWFJFHSA-N 1 1 517.692 4.550 50 0 KJAAMO COc1ccc(-c2csc3[nH]c(C[N@H+](CCC(C)C)C[C@@H](O)COCC(C)C)nc(=O)c23)cc1OC ZINC000036206042 554201738 /nfs/dbraw/zinc/20/17/38/554201738.db2.gz VUSDUGSFMKUWKG-HXUWFJFHSA-N 1 1 517.692 4.550 50 0 KJAAMO CCCC(=O)OC[C@H](O)C[N@@H+](CCCOC)Cc1c(-c2ccccc2)noc1N(C)C1CCCCC1 ZINC000036249926 554210245 /nfs/dbraw/zinc/21/02/45/554210245.db2.gz SRODCEAOWIUOGY-XMMPIXPASA-N 1 1 501.668 4.653 50 0 KJAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](CCCOC)Cc1c(-c2ccccc2)noc1N(C)C1CCCCC1 ZINC000036249927 554210264 /nfs/dbraw/zinc/21/02/64/554210264.db2.gz SRODCEAOWIUOGY-DEOSSOPVSA-N 1 1 501.668 4.653 50 0 KJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000036256780 554210990 /nfs/dbraw/zinc/21/09/90/554210990.db2.gz HGMUNXUBKKZJLQ-UFHPHHKVSA-N 1 1 510.767 4.681 50 0 KJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000036256785 554211078 /nfs/dbraw/zinc/21/10/78/554211078.db2.gz HGMUNXUBKKZJLQ-RBJSKKJNSA-N 1 1 510.767 4.681 50 0 KJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036256953 554210840 /nfs/dbraw/zinc/21/08/40/554210840.db2.gz IWKDOZOFNQPQRH-CJFMBICVSA-N 1 1 523.549 4.691 50 0 KJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036256958 554210917 /nfs/dbraw/zinc/21/09/17/554210917.db2.gz IWKDOZOFNQPQRH-NBGIEHNGSA-N 1 1 523.549 4.691 50 0 KJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)C ZINC000036301932 554211744 /nfs/dbraw/zinc/21/17/44/554211744.db2.gz GSXANKKXBURSKO-QHCPKHFHSA-N 1 1 506.018 5.000 50 0 KJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)C ZINC000036301932 554211739 /nfs/dbraw/zinc/21/17/39/554211739.db2.gz GSXANKKXBURSKO-QHCPKHFHSA-N 1 1 506.018 5.000 50 0 KJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)C ZINC000036301934 554211710 /nfs/dbraw/zinc/21/17/10/554211710.db2.gz GSXANKKXBURSKO-HSZRJFAPSA-N 1 1 506.018 5.000 50 0 KJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)C ZINC000036301934 554211705 /nfs/dbraw/zinc/21/17/05/554211705.db2.gz GSXANKKXBURSKO-HSZRJFAPSA-N 1 1 506.018 5.000 50 0 KJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](CCOC)C[C@H](O)COC(C)C ZINC000036302667 554212809 /nfs/dbraw/zinc/21/28/09/554212809.db2.gz UDMPGQMHEWYTCY-QFIPXVFZSA-N 1 1 503.590 4.740 50 0 KJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](CCOC)C[C@H](O)COC(C)C ZINC000036302667 554212806 /nfs/dbraw/zinc/21/28/06/554212806.db2.gz UDMPGQMHEWYTCY-QFIPXVFZSA-N 1 1 503.590 4.740 50 0 KJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](CCOC)C[C@@H](O)COC(C)C ZINC000036302669 554213048 /nfs/dbraw/zinc/21/30/48/554213048.db2.gz UDMPGQMHEWYTCY-JOCHJYFZSA-N 1 1 503.590 4.740 50 0 KJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](CCOC)C[C@@H](O)COC(C)C ZINC000036302669 554213045 /nfs/dbraw/zinc/21/30/45/554213045.db2.gz UDMPGQMHEWYTCY-JOCHJYFZSA-N 1 1 503.590 4.740 50 0 KJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@@H+](CCOC)C[C@H](O)COCC(C)C ZINC000036302713 554212782 /nfs/dbraw/zinc/21/27/82/554212782.db2.gz FJXGZXFXWRPJJG-DEOSSOPVSA-N 1 1 511.663 4.718 50 0 KJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@H+](CCOC)C[C@H](O)COCC(C)C ZINC000036302713 554212779 /nfs/dbraw/zinc/21/27/79/554212779.db2.gz FJXGZXFXWRPJJG-DEOSSOPVSA-N 1 1 511.663 4.718 50 0 KJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@@H+](CCOC)C[C@@H](O)COCC(C)C ZINC000036302717 554212984 /nfs/dbraw/zinc/21/29/84/554212984.db2.gz FJXGZXFXWRPJJG-XMMPIXPASA-N 1 1 511.663 4.718 50 0 KJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@H+](CCOC)C[C@@H](O)COCC(C)C ZINC000036302717 554212981 /nfs/dbraw/zinc/21/29/81/554212981.db2.gz FJXGZXFXWRPJJG-XMMPIXPASA-N 1 1 511.663 4.718 50 0 KJAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@@H+](C[C@H](O)CN1CCOCC1)CC1CC1 ZINC000036303626 554213754 /nfs/dbraw/zinc/21/37/54/554213754.db2.gz VRDFLMNHWWPZHZ-XMMPIXPASA-N 1 1 511.066 4.532 50 0 KJAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@@H+](C[C@@H](O)CN1CCOCC1)CC1CC1 ZINC000036303628 554213930 /nfs/dbraw/zinc/21/39/30/554213930.db2.gz VRDFLMNHWWPZHZ-DEOSSOPVSA-N 1 1 511.066 4.532 50 0 KJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COCC(C)C ZINC000036304020 554214050 /nfs/dbraw/zinc/21/40/50/554214050.db2.gz LHOWNXDBKZHCFQ-QHCPKHFHSA-N 1 1 503.590 4.733 50 0 KJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COCC(C)C ZINC000036304020 554214046 /nfs/dbraw/zinc/21/40/46/554214046.db2.gz LHOWNXDBKZHCFQ-QHCPKHFHSA-N 1 1 503.590 4.733 50 0 KJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COCC(C)C ZINC000036304022 554213885 /nfs/dbraw/zinc/21/38/85/554213885.db2.gz LHOWNXDBKZHCFQ-HSZRJFAPSA-N 1 1 503.590 4.733 50 0 KJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COCC(C)C ZINC000036304022 554213882 /nfs/dbraw/zinc/21/38/82/554213882.db2.gz LHOWNXDBKZHCFQ-HSZRJFAPSA-N 1 1 503.590 4.733 50 0 KJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COC(C)(C)C ZINC000036304038 554213965 /nfs/dbraw/zinc/21/39/65/554213965.db2.gz LDGKNWBGDYZPNM-QFIPXVFZSA-N 1 1 503.590 4.876 50 0 KJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COC(C)(C)C ZINC000036304038 554213961 /nfs/dbraw/zinc/21/39/61/554213961.db2.gz LDGKNWBGDYZPNM-QFIPXVFZSA-N 1 1 503.590 4.876 50 0 KJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COC(C)(C)C ZINC000036304041 554213766 /nfs/dbraw/zinc/21/37/66/554213766.db2.gz LDGKNWBGDYZPNM-JOCHJYFZSA-N 1 1 503.590 4.876 50 0 KJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COC(C)(C)C ZINC000036304041 554213764 /nfs/dbraw/zinc/21/37/64/554213764.db2.gz LDGKNWBGDYZPNM-JOCHJYFZSA-N 1 1 503.590 4.876 50 0 KJAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H]1CCCO1 ZINC000036304253 554214463 /nfs/dbraw/zinc/21/44/63/554214463.db2.gz UQDDDSGRTQNTFO-PKTZIBPZSA-N 1 1 501.574 4.630 50 0 KJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H]1CCCO1 ZINC000036304253 554214460 /nfs/dbraw/zinc/21/44/60/554214460.db2.gz UQDDDSGRTQNTFO-PKTZIBPZSA-N 1 1 501.574 4.630 50 0 KJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H]1CCCO1 ZINC000036304255 554214471 /nfs/dbraw/zinc/21/44/71/554214471.db2.gz UQDDDSGRTQNTFO-GOTSBHOMSA-N 1 1 501.574 4.630 50 0 KJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H]1CCCO1 ZINC000036304255 554214468 /nfs/dbraw/zinc/21/44/68/554214468.db2.gz UQDDDSGRTQNTFO-GOTSBHOMSA-N 1 1 501.574 4.630 50 0 KJAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@@H]1CCCO1 ZINC000036305025 554214971 /nfs/dbraw/zinc/21/49/71/554214971.db2.gz YAFFMTNTXOMLGW-YADHBBJMSA-N 1 1 500.039 4.911 50 0 KJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@@H]1CCCO1 ZINC000036305028 554215013 /nfs/dbraw/zinc/21/50/13/554215013.db2.gz YAFFMTNTXOMLGW-VXKWHMMOSA-N 1 1 500.039 4.911 50 0 KJAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000036305188 554214898 /nfs/dbraw/zinc/21/48/98/554214898.db2.gz SLYHRRLPTAZKKW-VWNXMTODSA-N 1 1 500.039 4.911 50 0 KJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000036305191 554214929 /nfs/dbraw/zinc/21/49/29/554214929.db2.gz SLYHRRLPTAZKKW-UPVQGACJSA-N 1 1 500.039 4.911 50 0 KJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@H](O)COCc1ccccc1 ZINC000036305321 554215305 /nfs/dbraw/zinc/21/53/05/554215305.db2.gz MQLFTWLVAALOSE-SANMLTNESA-N 1 1 531.653 4.914 50 0 KJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@@H](O)COCc1ccccc1 ZINC000036305323 554215253 /nfs/dbraw/zinc/21/52/53/554215253.db2.gz MQLFTWLVAALOSE-AREMUKBSSA-N 1 1 531.653 4.914 50 0 KJAAMO COc1cccc(Oc2c(C[N@@H+](C[C@@H](O)COC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000036305579 554215418 /nfs/dbraw/zinc/21/54/18/554215418.db2.gz XMRWHHIGMCGADM-BVAGGSTKSA-N 1 1 509.647 4.655 50 0 KJAAMO COc1cccc(Oc2c(C[N@@H+](C[C@H](O)COC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000036305582 554215275 /nfs/dbraw/zinc/21/52/75/554215275.db2.gz XMRWHHIGMCGADM-OZXSUGGESA-N 1 1 509.647 4.655 50 0 KJAAMO COc1cccc(Oc2c(C[N@@H+](C[C@@H](O)COCC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000036305590 554215511 /nfs/dbraw/zinc/21/55/11/554215511.db2.gz MFOBETOKXVFUEF-SQHAQQRYSA-N 1 1 523.674 4.903 50 0 KJAAMO COc1cccc(Oc2c(C[N@@H+](C[C@H](O)COCC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000036305594 554215172 /nfs/dbraw/zinc/21/51/72/554215172.db2.gz MFOBETOKXVFUEF-IGKIAQTJSA-N 1 1 523.674 4.903 50 0 KJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)Cc1ccccc1 ZINC000036305732 554215377 /nfs/dbraw/zinc/21/53/77/554215377.db2.gz DXPGAVHBAZCYLG-RUZDIDTESA-N 1 1 501.627 4.940 50 0 KJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)Cc1ccccc1 ZINC000036305735 554215194 /nfs/dbraw/zinc/21/51/94/554215194.db2.gz DXPGAVHBAZCYLG-VWLOTQADSA-N 1 1 501.627 4.940 50 0 KJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)Cc1ccccc1 ZINC000036306002 554215485 /nfs/dbraw/zinc/21/54/85/554215485.db2.gz LHVRMBZVVYOTDP-RUZDIDTESA-N 1 1 501.627 4.940 50 0 KJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036306004 554215320 /nfs/dbraw/zinc/21/53/20/554215320.db2.gz LHVRMBZVVYOTDP-VWLOTQADSA-N 1 1 501.627 4.940 50 0 KJAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@H](O)COCC(C)C ZINC000036308872 554216603 /nfs/dbraw/zinc/21/66/03/554216603.db2.gz ZXRGNIQFMNVAQI-OZXSUGGESA-N 1 1 502.721 4.732 50 0 KJAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)COCC(C)C ZINC000036308874 554216832 /nfs/dbraw/zinc/21/68/32/554216832.db2.gz ZXRGNIQFMNVAQI-BVAGGSTKSA-N 1 1 502.721 4.732 50 0 KJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@H](O)COCc1ccccc1 ZINC000036309137 554216630 /nfs/dbraw/zinc/21/66/30/554216630.db2.gz LSHPJDROXFEJNR-LSYYVWMOSA-N 1 1 522.711 4.851 50 0 KJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036309138 554216698 /nfs/dbraw/zinc/21/66/98/554216698.db2.gz LSHPJDROXFEJNR-NAKRPHOHSA-N 1 1 522.711 4.851 50 0 KJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@H](O)COC(C)C ZINC000036309233 554216821 /nfs/dbraw/zinc/21/68/21/554216821.db2.gz MOFXYLZZMFVIBA-OZXSUGGESA-N 1 1 502.721 4.874 50 0 KJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)COC(C)C ZINC000036309234 554216735 /nfs/dbraw/zinc/21/67/35/554216735.db2.gz MOFXYLZZMFVIBA-BVAGGSTKSA-N 1 1 502.721 4.874 50 0 KJAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@H](O)COCc1ccccc1 ZINC000036309373 554217320 /nfs/dbraw/zinc/21/73/20/554217320.db2.gz YGGQCKUKZBCYJI-BDYUSTAISA-N 1 1 522.711 4.769 50 0 KJAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@@H](O)COCc1ccccc1 ZINC000036309374 554217306 /nfs/dbraw/zinc/21/73/06/554217306.db2.gz YGGQCKUKZBCYJI-VPUSJEBWSA-N 1 1 522.711 4.769 50 0 KJAAMO Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@H](O)COCc2ccccc2)C2CC2)c1 ZINC000036309471 554217153 /nfs/dbraw/zinc/21/71/53/554217153.db2.gz LSXDVLPTAQWGGB-LBNVMWSVSA-N 1 1 520.695 4.603 50 0 KJAAMO Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@H](O)COCc2ccccc2)C2CC2)c1 ZINC000036309472 554217234 /nfs/dbraw/zinc/21/72/34/554217234.db2.gz LSXDVLPTAQWGGB-LSYYVWMOSA-N 1 1 520.695 4.603 50 0 KJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@H](O)COc1ccccc1 ZINC000036309487 554217109 /nfs/dbraw/zinc/21/71/09/554217109.db2.gz CREXICDMVAPWII-HOFKKMOUSA-N 1 1 508.684 4.713 50 0 KJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@@H](O)COc1ccccc1 ZINC000036309488 554217258 /nfs/dbraw/zinc/21/72/58/554217258.db2.gz CREXICDMVAPWII-KCWPFWIISA-N 1 1 508.684 4.713 50 0 KJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@H](O)COCc1ccccc1 ZINC000036309489 554217283 /nfs/dbraw/zinc/21/72/83/554217283.db2.gz DTCUENQOUKSSKX-LSYYVWMOSA-N 1 1 522.711 4.851 50 0 KJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@@H](O)COCc1ccccc1 ZINC000036309490 554217228 /nfs/dbraw/zinc/21/72/28/554217228.db2.gz DTCUENQOUKSSKX-NAKRPHOHSA-N 1 1 522.711 4.851 50 0 KJAAMO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@H](O)Cc2ccccc2)CC2CC2)cc1 ZINC000036309555 554217240 /nfs/dbraw/zinc/21/72/40/554217240.db2.gz ARXQAXLPXMCSPH-LEAFIULHSA-N 1 1 504.696 4.877 50 0 KJAAMO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@H](O)Cc2ccccc2)CC2CC2)cc1 ZINC000036309556 554217270 /nfs/dbraw/zinc/21/72/70/554217270.db2.gz ARXQAXLPXMCSPH-NAKRPHOHSA-N 1 1 504.696 4.877 50 0 KJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@H](O)COCc1ccccc1 ZINC000036309605 554217291 /nfs/dbraw/zinc/21/72/91/554217291.db2.gz QLMXWEYFOCIHQR-IGKIAQTJSA-N 1 1 526.674 4.682 50 0 KJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@@H](O)COCc1ccccc1 ZINC000036309607 554217199 /nfs/dbraw/zinc/21/71/99/554217199.db2.gz QLMXWEYFOCIHQR-SQHAQQRYSA-N 1 1 526.674 4.682 50 0 KJAAMO CC(C)[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COc1ccccc1 ZINC000036309744 554217313 /nfs/dbraw/zinc/21/73/13/554217313.db2.gz LCVCALLFNVKNRY-NVQXNPDNSA-N 1 1 512.647 4.542 50 0 KJAAMO CC(C)[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COc1ccccc1 ZINC000036309746 554217252 /nfs/dbraw/zinc/21/72/52/554217252.db2.gz LCVCALLFNVKNRY-GJZUVCINSA-N 1 1 512.647 4.542 50 0 KJAAMO CC(C)[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COCc1ccccc1 ZINC000036309748 554217216 /nfs/dbraw/zinc/21/72/16/554217216.db2.gz OLCSTFRJRVNCAV-IGKIAQTJSA-N 1 1 526.674 4.680 50 0 KJAAMO CC(C)[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036309751 554217574 /nfs/dbraw/zinc/21/75/74/554217574.db2.gz OLCSTFRJRVNCAV-SQHAQQRYSA-N 1 1 526.674 4.680 50 0 KJAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(C)C ZINC000036309765 554217666 /nfs/dbraw/zinc/21/76/66/554217666.db2.gz VEEDPRNDVLJSFD-BVAGGSTKSA-N 1 1 526.674 4.851 50 0 KJAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(C)C ZINC000036309767 554217706 /nfs/dbraw/zinc/21/77/06/554217706.db2.gz VEEDPRNDVLJSFD-OZXSUGGESA-N 1 1 526.674 4.851 50 0 KJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COc1ccccc1 ZINC000036309783 554217634 /nfs/dbraw/zinc/21/76/34/554217634.db2.gz PTTJYRWTLZTEKI-NVQXNPDNSA-N 1 1 512.647 4.544 50 0 KJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COc1ccccc1 ZINC000036309785 554217787 /nfs/dbraw/zinc/21/77/87/554217787.db2.gz PTTJYRWTLZTEKI-GJZUVCINSA-N 1 1 512.647 4.544 50 0 KJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COCc1ccccc1 ZINC000036309788 554217644 /nfs/dbraw/zinc/21/76/44/554217644.db2.gz RKMHCIPKZJZKMJ-IGKIAQTJSA-N 1 1 526.674 4.682 50 0 KJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036309791 554217738 /nfs/dbraw/zinc/21/77/38/554217738.db2.gz RKMHCIPKZJZKMJ-SQHAQQRYSA-N 1 1 526.674 4.682 50 0 KJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COc1ccccc1C ZINC000036309809 554217826 /nfs/dbraw/zinc/21/78/26/554217826.db2.gz SSLPXJOODNNGJV-OZXSUGGESA-N 1 1 526.674 4.852 50 0 KJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COc1ccccc1C ZINC000036309810 554217611 /nfs/dbraw/zinc/21/76/11/554217611.db2.gz SSLPXJOODNNGJV-BVAGGSTKSA-N 1 1 526.674 4.852 50 0 KJAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@H](O)COc1ccccc1C ZINC000036309954 554217623 /nfs/dbraw/zinc/21/76/23/554217623.db2.gz RPOJBOGVWGMROA-ZCYQVOJMSA-N 1 1 508.684 4.632 50 0 KJAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@@H](O)COc1ccccc1C ZINC000036309957 554217762 /nfs/dbraw/zinc/21/77/62/554217762.db2.gz RPOJBOGVWGMROA-NOZRDPDXSA-N 1 1 508.684 4.632 50 0 KJAAMO COCCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccc(Cl)cc1 ZINC000036312183 554218412 /nfs/dbraw/zinc/21/84/12/554218412.db2.gz GQUGTTYDOFATQX-UHFFFAOYSA-N 1 1 501.002 4.565 50 0 KJAAMO C[NH+]1CCN(c2onc(-c3ccc(F)cc3)c2CN(C[C@@H]2CCCO2)C(=O)c2ccc(Cl)cc2)CC1 ZINC000036312258 554218531 /nfs/dbraw/zinc/21/85/31/554218531.db2.gz VAPIZURCOYPYSF-QHCPKHFHSA-N 1 1 513.013 4.707 50 0 KJAAMO C[NH+]1CCN(c2onc(-c3ccc(F)cc3)c2CN(C[C@H]2CCCO2)C(=O)c2ccc(Cl)cc2)CC1 ZINC000036312260 554218512 /nfs/dbraw/zinc/21/85/12/554218512.db2.gz VAPIZURCOYPYSF-HSZRJFAPSA-N 1 1 513.013 4.707 50 0 KJAAMO COCCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)Nc1cccc(Cl)c1 ZINC000036312868 554218790 /nfs/dbraw/zinc/21/87/90/554218790.db2.gz AOCFTHYLPKHFRM-UHFFFAOYSA-N 1 1 516.017 4.957 50 0 KJAAMO COCCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=S)Nc1ccc(F)cc1 ZINC000036312898 554218803 /nfs/dbraw/zinc/21/88/03/554218803.db2.gz XULUTOLIZWFPIF-UHFFFAOYSA-N 1 1 515.630 4.607 50 0 KJAAMO CCCCOC[C@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036313865 554219401 /nfs/dbraw/zinc/21/94/01/554219401.db2.gz LBJGFOWAMQXFSY-XMMPIXPASA-N 1 1 511.663 4.862 50 0 KJAAMO CCCCOC[C@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036313865 554219398 /nfs/dbraw/zinc/21/93/98/554219398.db2.gz LBJGFOWAMQXFSY-XMMPIXPASA-N 1 1 511.663 4.862 50 0 KJAAMO CCCCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036313866 554219237 /nfs/dbraw/zinc/21/92/37/554219237.db2.gz LBJGFOWAMQXFSY-DEOSSOPVSA-N 1 1 511.663 4.862 50 0 KJAAMO CCCCOC[C@@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036313866 554219233 /nfs/dbraw/zinc/21/92/33/554219233.db2.gz LBJGFOWAMQXFSY-DEOSSOPVSA-N 1 1 511.663 4.862 50 0 KJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@@H](O)COCC(C)C ZINC000036316124 554219710 /nfs/dbraw/zinc/21/97/10/554219710.db2.gz HWMCPRFHOZMEHP-JOCHJYFZSA-N 1 1 503.590 4.640 50 0 KJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@H](O)COCC(C)C ZINC000036316125 554219676 /nfs/dbraw/zinc/21/96/76/554219676.db2.gz HWMCPRFHOZMEHP-QFIPXVFZSA-N 1 1 503.590 4.640 50 0 KJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@@H](O)COC(C)(C)C ZINC000036316130 554219538 /nfs/dbraw/zinc/21/95/38/554219538.db2.gz JGBHZMQLGHYRFZ-OAQYLSRUSA-N 1 1 503.590 4.782 50 0 KJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@H](O)COC(C)(C)C ZINC000036316131 554219689 /nfs/dbraw/zinc/21/96/89/554219689.db2.gz JGBHZMQLGHYRFZ-NRFANRHFSA-N 1 1 503.590 4.782 50 0 KJAAMO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C1CC1 ZINC000036316414 554219480 /nfs/dbraw/zinc/21/94/80/554219480.db2.gz FOALFEJQMVNGMI-HSZRJFAPSA-N 1 1 507.631 4.904 50 0 KJAAMO CCCC(=O)OC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C1CC1 ZINC000036316414 554219478 /nfs/dbraw/zinc/21/94/78/554219478.db2.gz FOALFEJQMVNGMI-HSZRJFAPSA-N 1 1 507.631 4.904 50 0 KJAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C1CC1 ZINC000036316415 554219485 /nfs/dbraw/zinc/21/94/85/554219485.db2.gz FOALFEJQMVNGMI-QHCPKHFHSA-N 1 1 507.631 4.904 50 0 KJAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C1CC1 ZINC000036316415 554219484 /nfs/dbraw/zinc/21/94/84/554219484.db2.gz FOALFEJQMVNGMI-QHCPKHFHSA-N 1 1 507.631 4.904 50 0 KJAAMO Cc1nc(C)c(Cc2ccccc2Cl)c(N2CC[NH+](C[C@H](O)COc3ccc(Cl)cc3)CC2)n1 ZINC000036340220 554219834 /nfs/dbraw/zinc/21/98/34/554219834.db2.gz YUBHKUBCUPYHBM-QFIPXVFZSA-N 1 1 501.458 4.553 50 0 KJAAMO Cc1nc(C)c(Cc2ccccc2Cl)c(N2CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3)CC2)n1 ZINC000036340221 554219840 /nfs/dbraw/zinc/21/98/40/554219840.db2.gz YUBHKUBCUPYHBM-JOCHJYFZSA-N 1 1 501.458 4.553 50 0 KJAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000036341016 554220136 /nfs/dbraw/zinc/22/01/36/554220136.db2.gz RUTOEJDSXKCQGT-NDEPHWFRSA-N 1 1 503.046 4.844 50 0 KJAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000036341017 554220235 /nfs/dbraw/zinc/22/02/35/554220235.db2.gz RUTOEJDSXKCQGT-MUUNZHRXSA-N 1 1 503.046 4.844 50 0 KJAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccccc3Cl)C2)c(OC)c1 ZINC000036341028 554220198 /nfs/dbraw/zinc/22/01/98/554220198.db2.gz JXFUNGSMZRIATD-NDEPHWFRSA-N 1 1 533.072 4.853 50 0 KJAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccccc3Cl)C2)c(OC)c1 ZINC000036341029 554220259 /nfs/dbraw/zinc/22/02/59/554220259.db2.gz JXFUNGSMZRIATD-MUUNZHRXSA-N 1 1 533.072 4.853 50 0 KJAAMO COc1cccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036341046 554220570 /nfs/dbraw/zinc/22/05/70/554220570.db2.gz DODYDYYJQHGNCX-NDEPHWFRSA-N 1 1 503.046 4.844 50 0 KJAAMO COc1cccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036341047 554220607 /nfs/dbraw/zinc/22/06/07/554220607.db2.gz DODYDYYJQHGNCX-MUUNZHRXSA-N 1 1 503.046 4.844 50 0 KJAAMO COc1cccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036341140 554220593 /nfs/dbraw/zinc/22/05/93/554220593.db2.gz ZBQPTRCAVZZSPW-NDEPHWFRSA-N 1 1 503.046 4.844 50 0 KJAAMO COc1cccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036341141 554220526 /nfs/dbraw/zinc/22/05/26/554220526.db2.gz ZBQPTRCAVZZSPW-MUUNZHRXSA-N 1 1 503.046 4.844 50 0 KJAAMO COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036341180 554220534 /nfs/dbraw/zinc/22/05/34/554220534.db2.gz AYTGMQWQJOQKOS-NDEPHWFRSA-N 1 1 503.046 4.844 50 0 KJAAMO COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036341181 554220647 /nfs/dbraw/zinc/22/06/47/554220647.db2.gz AYTGMQWQJOQKOS-MUUNZHRXSA-N 1 1 503.046 4.844 50 0 KJAAMO COc1ccccc1[C@@H]1CC(c2ccccc2Cl)=NN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000036341391 554220818 /nfs/dbraw/zinc/22/08/18/554220818.db2.gz KKHYJLRTSFLDGJ-MHZLTWQESA-N 1 1 503.046 4.844 50 0 KJAAMO COc1ccccc1[C@H]1CC(c2ccccc2Cl)=NN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000036341392 554220758 /nfs/dbraw/zinc/22/07/58/554220758.db2.gz KKHYJLRTSFLDGJ-HHHXNRCGSA-N 1 1 503.046 4.844 50 0 KJAAMO COc1ccc(OC)c([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000036341683 554220880 /nfs/dbraw/zinc/22/08/80/554220880.db2.gz HYVJMFBXQBTDIF-PMERELPUSA-N 1 1 526.681 4.816 50 0 KJAAMO COc1ccc(OC)c([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000036341684 554220962 /nfs/dbraw/zinc/22/09/62/554220962.db2.gz HYVJMFBXQBTDIF-SSEXGKCCSA-N 1 1 526.681 4.816 50 0 KJAAMO COc1ccc(OC)c([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000036341703 554221256 /nfs/dbraw/zinc/22/12/56/554221256.db2.gz HJPMEPPLXRFUDK-NDEPHWFRSA-N 1 1 533.072 4.853 50 0 KJAAMO COc1ccc(OC)c([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000036341705 554221126 /nfs/dbraw/zinc/22/11/26/554221126.db2.gz HJPMEPPLXRFUDK-MUUNZHRXSA-N 1 1 533.072 4.853 50 0 KJAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc2c(c1)OCO2 ZINC000036341797 554221176 /nfs/dbraw/zinc/22/11/76/554221176.db2.gz AVNIUWWWVVVXST-SANMLTNESA-N 1 1 517.029 4.564 50 0 KJAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000036341798 554221263 /nfs/dbraw/zinc/22/12/63/554221263.db2.gz AVNIUWWWVVVXST-AREMUKBSSA-N 1 1 517.029 4.564 50 0 KJAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](Cc1ccccc1)C[C@H](O)CN1CCOCC1 ZINC000036342156 554221553 /nfs/dbraw/zinc/22/15/53/554221553.db2.gz ZMBIWJFFBSVHSP-MUUNZHRXSA-N 1 1 512.654 4.668 50 0 KJAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCOCC1 ZINC000036342156 554221549 /nfs/dbraw/zinc/22/15/49/554221549.db2.gz ZMBIWJFFBSVHSP-MUUNZHRXSA-N 1 1 512.654 4.668 50 0 KJAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CCOCC1 ZINC000036342157 554221634 /nfs/dbraw/zinc/22/16/34/554221634.db2.gz ZMBIWJFFBSVHSP-NDEPHWFRSA-N 1 1 512.654 4.668 50 0 KJAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCOCC1 ZINC000036342157 554221630 /nfs/dbraw/zinc/22/16/30/554221630.db2.gz ZMBIWJFFBSVHSP-NDEPHWFRSA-N 1 1 512.654 4.668 50 0 KJAAMO COc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H](c3ccc(OC)cc3OC)C2)c(OC)c1 ZINC000036343288 554221863 /nfs/dbraw/zinc/22/18/63/554221863.db2.gz XEXNKJWSRVNWLT-SANMLTNESA-N 1 1 503.599 4.531 50 0 KJAAMO COc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H](c3ccc(OC)cc3OC)C2)c(OC)c1 ZINC000036343288 554221860 /nfs/dbraw/zinc/22/18/60/554221860.db2.gz XEXNKJWSRVNWLT-SANMLTNESA-N 1 1 503.599 4.531 50 0 KJAAMO COc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](c3ccc(OC)cc3OC)C2)c(OC)c1 ZINC000036343290 554221997 /nfs/dbraw/zinc/22/19/97/554221997.db2.gz XEXNKJWSRVNWLT-AREMUKBSSA-N 1 1 503.599 4.531 50 0 KJAAMO COc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H](c3ccc(OC)cc3OC)C2)c(OC)c1 ZINC000036343290 554221993 /nfs/dbraw/zinc/22/19/93/554221993.db2.gz XEXNKJWSRVNWLT-AREMUKBSSA-N 1 1 503.599 4.531 50 0 KJAAMO COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000036343444 554221929 /nfs/dbraw/zinc/22/19/29/554221929.db2.gz QYYRHMWURZWELZ-PMERELPUSA-N 1 1 526.681 4.816 50 0 KJAAMO COc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000036343446 554221907 /nfs/dbraw/zinc/22/19/07/554221907.db2.gz QYYRHMWURZWELZ-SSEXGKCCSA-N 1 1 526.681 4.816 50 0 KJAAMO COc1ccccc1C1=NN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@H](c2ccccc2Cl)C1 ZINC000036343915 554222324 /nfs/dbraw/zinc/22/23/24/554222324.db2.gz XHFAWPSGALPCNH-MHZLTWQESA-N 1 1 503.046 4.844 50 0 KJAAMO COc1ccccc1C1=NN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@@H](c2ccccc2Cl)C1 ZINC000036343917 554222423 /nfs/dbraw/zinc/22/24/23/554222423.db2.gz XHFAWPSGALPCNH-HHHXNRCGSA-N 1 1 503.046 4.844 50 0 KJAAMO CCOc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036343957 554222405 /nfs/dbraw/zinc/22/24/05/554222405.db2.gz KXVHAPZHPZISKL-LJAQVGFWSA-N 1 1 500.618 4.720 50 0 KJAAMO CCOc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036343958 554222315 /nfs/dbraw/zinc/22/23/15/554222315.db2.gz KXVHAPZHPZISKL-GDLZYMKVSA-N 1 1 500.618 4.720 50 0 KJAAMO CCOc1ccc([C@@H]2CC(c3ccc(OC)cc3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036344030 554222349 /nfs/dbraw/zinc/22/23/49/554222349.db2.gz AJHQTTPGPFHFSF-PMERELPUSA-N 1 1 512.654 4.589 50 0 KJAAMO CCOc1ccc([C@H]2CC(c3ccc(OC)cc3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036344031 554222443 /nfs/dbraw/zinc/22/24/43/554222443.db2.gz AJHQTTPGPFHFSF-SSEXGKCCSA-N 1 1 512.654 4.589 50 0 KJAAMO CCOc1ccc([C@@H]2CC(c3cccc(OC)c3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036344058 554222429 /nfs/dbraw/zinc/22/24/29/554222429.db2.gz WPHBEBZGRHCBAZ-PMERELPUSA-N 1 1 512.654 4.589 50 0 KJAAMO CCOc1ccc([C@H]2CC(c3cccc(OC)c3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036344059 554222454 /nfs/dbraw/zinc/22/24/54/554222454.db2.gz WPHBEBZGRHCBAZ-SSEXGKCCSA-N 1 1 512.654 4.589 50 0 KJAAMO CCOc1ccc([C@@H]2CC(c3ccccc3OC)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036344160 554222619 /nfs/dbraw/zinc/22/26/19/554222619.db2.gz BLTGWTBDJCBCCW-LJAQVGFWSA-N 1 1 512.654 4.589 50 0 KJAAMO CCOc1ccc([C@H]2CC(c3ccccc3OC)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036344161 554222726 /nfs/dbraw/zinc/22/27/26/554222726.db2.gz BLTGWTBDJCBCCW-GDLZYMKVSA-N 1 1 512.654 4.589 50 0 KJAAMO COc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000036344202 554222579 /nfs/dbraw/zinc/22/25/79/554222579.db2.gz FRVYPZPQUCBEKS-PMERELPUSA-N 1 1 526.681 4.816 50 0 KJAAMO COc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000036344203 554222732 /nfs/dbraw/zinc/22/27/32/554222732.db2.gz FRVYPZPQUCBEKS-SSEXGKCCSA-N 1 1 526.681 4.816 50 0 KJAAMO COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000036344226 554222678 /nfs/dbraw/zinc/22/26/78/554222678.db2.gz UGQNDTXGYIWJAP-NDEPHWFRSA-N 1 1 533.072 4.853 50 0 KJAAMO COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000036344227 554222604 /nfs/dbraw/zinc/22/26/04/554222604.db2.gz UGQNDTXGYIWJAP-MUUNZHRXSA-N 1 1 533.072 4.853 50 0 KJAAMO COc1ccc(OC)c([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000036344361 554223059 /nfs/dbraw/zinc/22/30/59/554223059.db2.gz ZZZXGUQMTQGSSN-PMERELPUSA-N 1 1 526.681 4.816 50 0 KJAAMO COc1ccc(OC)c([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000036344362 554222943 /nfs/dbraw/zinc/22/29/43/554222943.db2.gz ZZZXGUQMTQGSSN-SSEXGKCCSA-N 1 1 526.681 4.816 50 0 KJAAMO COc1ccc(OC)c([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000036344373 554223055 /nfs/dbraw/zinc/22/30/55/554223055.db2.gz QYIZQWXGJCNJMY-PMERELPUSA-N 1 1 526.681 4.816 50 0 KJAAMO COc1ccc(OC)c([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000036344374 554223034 /nfs/dbraw/zinc/22/30/34/554223034.db2.gz QYIZQWXGJCNJMY-SSEXGKCCSA-N 1 1 526.681 4.816 50 0 KJAAMO COc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000036344460 554222959 /nfs/dbraw/zinc/22/29/59/554222959.db2.gz DFGHHKCHKNJBQP-PMERELPUSA-N 1 1 526.681 4.816 50 0 KJAAMO COc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000036344461 554223110 /nfs/dbraw/zinc/22/31/10/554223110.db2.gz DFGHHKCHKNJBQP-SSEXGKCCSA-N 1 1 526.681 4.816 50 0 KJAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccccc3C)C2)c(OC)c1 ZINC000036344929 554223299 /nfs/dbraw/zinc/22/32/99/554223299.db2.gz RQMASLKPDSPUJX-LJAQVGFWSA-N 1 1 512.654 4.508 50 0 KJAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccccc3C)C2)c(OC)c1 ZINC000036344930 554223365 /nfs/dbraw/zinc/22/33/65/554223365.db2.gz RQMASLKPDSPUJX-GDLZYMKVSA-N 1 1 512.654 4.508 50 0 KJAAMO COc1ccccc1C1=NN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@H](c2ccc(Cl)cc2)C1 ZINC000036345075 554223407 /nfs/dbraw/zinc/22/34/07/554223407.db2.gz WRYRQLJAHBMIOV-MHZLTWQESA-N 1 1 503.046 4.844 50 0 KJAAMO COc1ccccc1C1=NN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000036345076 554223377 /nfs/dbraw/zinc/22/33/77/554223377.db2.gz WRYRQLJAHBMIOV-HHHXNRCGSA-N 1 1 503.046 4.844 50 0 KJAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccc4c(c3)OCO4)C2)c(C)c1 ZINC000036345577 554223698 /nfs/dbraw/zinc/22/36/98/554223698.db2.gz VBDXDPWHFSKDFX-NDEPHWFRSA-N 1 1 510.638 4.528 50 0 KJAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccc4c(c3)OCO4)C2)c(C)c1 ZINC000036345578 554223637 /nfs/dbraw/zinc/22/36/37/554223637.db2.gz VBDXDPWHFSKDFX-MUUNZHRXSA-N 1 1 510.638 4.528 50 0 KJAAMO Cc1ccc(C)c(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccc4c(c3)OCO4)C2)c1 ZINC000036345595 554223708 /nfs/dbraw/zinc/22/37/08/554223708.db2.gz TYVOPWWNSGRTLY-NDEPHWFRSA-N 1 1 510.638 4.528 50 0 KJAAMO Cc1ccc(C)c(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccc4c(c3)OCO4)C2)c1 ZINC000036345596 554223682 /nfs/dbraw/zinc/22/36/82/554223682.db2.gz TYVOPWWNSGRTLY-MUUNZHRXSA-N 1 1 510.638 4.528 50 0 KJAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccc(C)cc3C)C2)c(OC)c1 ZINC000036345783 554223595 /nfs/dbraw/zinc/22/35/95/554223595.db2.gz WXLFVBLOUREFPX-PMERELPUSA-N 1 1 526.681 4.816 50 0 KJAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccc(C)cc3C)C2)c(OC)c1 ZINC000036345784 554223726 /nfs/dbraw/zinc/22/37/26/554223726.db2.gz WXLFVBLOUREFPX-SSEXGKCCSA-N 1 1 526.681 4.816 50 0 KJAAMO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000036369554 554224337 /nfs/dbraw/zinc/22/43/37/554224337.db2.gz XESODQRWBFMKEB-CYIYBOQLSA-N 1 1 500.683 4.679 50 0 biogenic KJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@]2(C)Cn3c(cc4ccccc43)C(=O)N2Cc2ccc(F)cc2)C1 ZINC000037006619 554230770 /nfs/dbraw/zinc/23/07/70/554230770.db2.gz XPNXMMHWWURFED-ZQLNOWDWSA-N 1 1 504.650 4.679 50 0 KJAAMO CC[C@@H](C)NC(=O)CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000037382547 554237999 /nfs/dbraw/zinc/23/79/99/554237999.db2.gz SHIGWBMQVVGHNE-OAQYLSRUSA-N 1 1 510.082 4.784 50 0 KJAAMO CC[C@H](C)NC(=O)CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000037382553 554237955 /nfs/dbraw/zinc/23/79/55/554237955.db2.gz SHIGWBMQVVGHNE-NRFANRHFSA-N 1 1 510.082 4.784 50 0 KJAAMO C[C@H](NC(=O)CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccco2)nc2ccccc21)c1ccccc1 ZINC000037382649 554237882 /nfs/dbraw/zinc/23/78/82/554237882.db2.gz SGMMOPAKBPSIHU-QHCPKHFHSA-N 1 1 513.642 4.686 50 0 KJAAMO C[C@@H](NC(=O)CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccco2)nc2ccccc21)c1ccccc1 ZINC000037382653 554237923 /nfs/dbraw/zinc/23/79/23/554237923.db2.gz SGMMOPAKBPSIHU-HSZRJFAPSA-N 1 1 513.642 4.686 50 0 KJAAMO O=C(CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccc(F)cc2)nc2ccccc21)NCc1ccccc1 ZINC000037383469 554238267 /nfs/dbraw/zinc/23/82/67/554238267.db2.gz FKKVLTZBTJUVGI-UHFFFAOYSA-N 1 1 527.644 4.671 50 0 KJAAMO CC(C)CNC(=O)CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000037383489 554238312 /nfs/dbraw/zinc/23/83/12/554238312.db2.gz NYBBNUGUKXSWHJ-UHFFFAOYSA-N 1 1 510.082 4.641 50 0 KJAAMO O=C(CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccco2)nc2ccccc21)Nc1ccc(F)cc1 ZINC000037383561 554238300 /nfs/dbraw/zinc/23/83/00/554238300.db2.gz OMOMFLLDCIIRFC-UHFFFAOYSA-N 1 1 503.578 4.586 50 0 KJAAMO O=C(CCN(CCC[NH+]1CCOCC1)c1nc(-c2cccs2)nc2ccccc21)NCc1ccccc1 ZINC000037384642 554238532 /nfs/dbraw/zinc/23/85/32/554238532.db2.gz COSYPAWTAOHRNC-UHFFFAOYSA-N 1 1 515.683 4.594 50 0 KJAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4ccco4)n3-c3ccccc3OC)cc2)CC1 ZINC000037397721 554240005 /nfs/dbraw/zinc/24/00/05/554240005.db2.gz GNAFJRLWCVXHQI-UHFFFAOYSA-N 1 1 503.628 4.606 50 0 KJAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4ccncc4)n3-c3ccc(F)cc3)cc2)CC1 ZINC000037397871 554240313 /nfs/dbraw/zinc/24/03/13/554240313.db2.gz YROZAOHUWWJGEO-UHFFFAOYSA-N 1 1 502.619 4.538 50 0 KJAAMO COc1cccc(-c2nnc(SCc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)n2-c2ccc(F)cc2)c1 ZINC000037398513 554240821 /nfs/dbraw/zinc/24/08/21/554240821.db2.gz IYYPVQRSXLKLLR-UHFFFAOYSA-N 1 1 517.630 4.762 50 0 KJAAMO COc1cccc(-c2nnc(SCc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)n2-c2cccc(C)c2)c1 ZINC000037398529 554240856 /nfs/dbraw/zinc/24/08/56/554240856.db2.gz CNXREAGIDNAQIV-UHFFFAOYSA-N 1 1 513.667 4.931 50 0 KJAAMO COc1ccccc1-n1c(SCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)nnc1-c1ccc(C)cc1 ZINC000037398591 554240880 /nfs/dbraw/zinc/24/08/80/554240880.db2.gz MKOQLWUXQBJHEB-UHFFFAOYSA-N 1 1 513.667 4.931 50 0 KJAAMO CC[NH+]1CCN(C(=O)c2cccc(Cn3c4ccccc4s/c3=N\C(=O)c3cccc(Cl)c3)c2)CC1 ZINC000037427849 554247345 /nfs/dbraw/zinc/24/73/45/554247345.db2.gz VOPYNGRJSJJHRY-HYOGKJQXSA-N 1 1 519.070 4.923 50 0 KJAAMO CC[NH+]1CCN(C(=O)c2ccc(Cn3c(C)cs/c3=N\C(=O)c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000037428399 554247576 /nfs/dbraw/zinc/24/75/76/554247576.db2.gz AFXUCBSLHWZKPR-FVDSYPCUSA-N 1 1 517.482 4.732 50 0 KJAAMO CC[NH+]1CCN(C(=O)c2cccc(Cn3c(C)cs/c3=N\C(=O)c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000037436653 554248059 /nfs/dbraw/zinc/24/80/59/554248059.db2.gz PLGIUBYESFJDJQ-FVDSYPCUSA-N 1 1 517.482 4.732 50 0 KJAAMO COc1ccc(N(C2CC[NH+](Cc3ccc(F)cc3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000037560543 554251907 /nfs/dbraw/zinc/25/19/07/554251907.db2.gz MLNHRRFCJVFWRR-UHFFFAOYSA-N 1 1 502.583 4.842 50 0 KJAAMO COc1ccccc1C[NH+]1CCC(N(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000037560547 554251979 /nfs/dbraw/zinc/25/19/79/554251979.db2.gz SREHPLZGIWBYBZ-UHFFFAOYSA-N 1 1 514.619 4.711 50 0 KJAAMO COc1ccc(N(C2CC[NH+](Cc3ccccc3F)CC2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000037572176 554251946 /nfs/dbraw/zinc/25/19/46/554251946.db2.gz AVRKECHXYBFKKQ-UHFFFAOYSA-N 1 1 502.583 4.842 50 0 KJAAMO COc1cccc(N(C2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000037572232 554251881 /nfs/dbraw/zinc/25/18/81/554251881.db2.gz LJGNKUUMQDRWPW-UHFFFAOYSA-N 1 1 510.656 4.881 50 0 KJAAMO COc1ccccc1C[NH+]1CCC(N(c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000037587463 554252965 /nfs/dbraw/zinc/25/29/65/554252965.db2.gz VESKWVDXELJNDM-UHFFFAOYSA-N 1 1 515.031 4.937 50 0 KJAAMO COc1cc(C[NH+]2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3cccc(C)c3)CC2)cc(OC)c1 ZINC000037588028 554253347 /nfs/dbraw/zinc/25/33/47/554253347.db2.gz MVVZUSATTMRMTM-UHFFFAOYSA-N 1 1 524.639 4.601 50 0 KJAAMO COc1ccc(C[NH+]2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000037588158 554253253 /nfs/dbraw/zinc/25/32/53/554253253.db2.gz UTLSMYFIFBDURN-UHFFFAOYSA-N 1 1 515.031 4.937 50 0 KJAAMO O=C(c1ccc(Cl)c(Cl)c1)N1CCO[C@H](C[N@H+]2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000037611633 554258398 /nfs/dbraw/zinc/25/83/98/554258398.db2.gz KFRKJZGCYQYYSB-XMMPIXPASA-N 1 1 526.464 4.836 50 0 KJAAMO O=C(c1ccc(Cl)c(Cl)c1)N1CCO[C@H](C[N@@H+]2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000037611633 554258395 /nfs/dbraw/zinc/25/83/95/554258395.db2.gz KFRKJZGCYQYYSB-XMMPIXPASA-N 1 1 526.464 4.836 50 0 KJAAMO O=C(c1ccc(Cl)c(Cl)c1)N1CCO[C@@H](C[N@H+]2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000037611636 554258513 /nfs/dbraw/zinc/25/85/13/554258513.db2.gz KFRKJZGCYQYYSB-DEOSSOPVSA-N 1 1 526.464 4.836 50 0 KJAAMO O=C(c1ccc(Cl)c(Cl)c1)N1CCO[C@@H](C[N@@H+]2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000037611636 554258509 /nfs/dbraw/zinc/25/85/09/554258509.db2.gz KFRKJZGCYQYYSB-DEOSSOPVSA-N 1 1 526.464 4.836 50 0 KJAAMO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCC[N@H+]4CCCC[C@@H]4C)CC3)s2)cc1 ZINC000038139230 554259568 /nfs/dbraw/zinc/25/95/68/554259568.db2.gz BUWKZODVNIUJHP-QHCPKHFHSA-N 1 1 565.788 4.937 50 0 KJAAMO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCC[N@H+]4CCCC[C@H]4C)CC3)s2)cc1 ZINC000038139231 554259612 /nfs/dbraw/zinc/25/96/12/554259612.db2.gz BUWKZODVNIUJHP-HSZRJFAPSA-N 1 1 565.788 4.937 50 0 KJAAMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Cl)c3)N2C1=O ZINC000038139948 554261902 /nfs/dbraw/zinc/26/19/02/554261902.db2.gz BNZPDENCVXRJMM-JDXGNMNLSA-N 1 1 598.103 4.756 50 0 biogenic KJAAMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Cl)c3)N2C1=O ZINC000038139950 554261877 /nfs/dbraw/zinc/26/18/77/554261877.db2.gz BNZPDENCVXRJMM-MFMCTBQISA-N 1 1 598.103 4.756 50 0 biogenic KJAAMO CCN1CC[NH+](CCCNC(=O)c2ccc(/C=C3/Oc4ccccc4N(Cc4cccc(C)c4)C3=O)cc2)CC1 ZINC000038146945 554269814 /nfs/dbraw/zinc/26/98/14/554269814.db2.gz BBLGALJJIGEANG-UQRQXUALSA-N 1 1 538.692 4.719 50 0 KJAAMO O=S(=O)(c1nnn2c1nc(NC1CC[NH+](Cc3ccccc3)CC1)c1cc(Cl)ccc12)c1ccccc1 ZINC000038146967 554269927 /nfs/dbraw/zinc/26/99/27/554269927.db2.gz GTSWEASKGKSAIN-UHFFFAOYSA-N 1 1 533.057 4.840 50 0 KJAAMO C[NH+]1CCN(C2CCN(C(=O)Nc3cc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)c(F)c4)ccn3)CC2)CC1 ZINC000043195317 554297770 /nfs/dbraw/zinc/29/77/70/554297770.db2.gz UQRCJCNVNUFYDX-UHFFFAOYSA-N 1 1 633.700 4.753 50 0 investigational KJAAMO CCOC(=O)[C@@H]([NH3+])Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1 ZINC000043205655 554298174 /nfs/dbraw/zinc/29/81/74/554298174.db2.gz MDSQOJYHHZBZKA-GBXCKJPGSA-N 1 1 574.991 4.989 50 0 world KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000043727024 554299065 /nfs/dbraw/zinc/29/90/65/554299065.db2.gz PWMYXGFYMMHRTG-KIHHCIJBSA-N 1 1 509.528 4.988 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000043727024 554299061 /nfs/dbraw/zinc/29/90/61/554299061.db2.gz PWMYXGFYMMHRTG-KIHHCIJBSA-N 1 1 509.528 4.988 50 0 KJAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000043727096 554299049 /nfs/dbraw/zinc/29/90/49/554299049.db2.gz KDRKSHRNDJYHBD-NDBXHCKUSA-N 1 1 517.944 4.642 50 0 KJAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000043727096 554299046 /nfs/dbraw/zinc/29/90/46/554299046.db2.gz KDRKSHRNDJYHBD-NDBXHCKUSA-N 1 1 517.944 4.642 50 0 KJAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)COc3ccccc3F)CC2)cc1 ZINC000046853897 554320890 /nfs/dbraw/zinc/32/08/90/554320890.db2.gz IOIASFGMDFYSRF-UHFFFAOYSA-N 1 1 537.595 4.963 50 0 KJAAMO COc1ccc(S(=O)(=O)N(CCO)c2ccccc2C[N@@H+](C)C/C=C/c2ccc(Cl)cc2)cc1 ZINC000053246208 554330053 /nfs/dbraw/zinc/33/00/53/554330053.db2.gz LLLQTDSSHZREGW-AATRIKPKSA-N 1 1 501.048 4.681 50 0 aggregator,in-vitro KJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000053371675 554347898 /nfs/dbraw/zinc/34/78/98/554347898.db2.gz KNIDSWRBTSFLPK-YMLFONJDSA-N 1 1 522.070 4.881 50 0 KJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000053371678 554347880 /nfs/dbraw/zinc/34/78/80/554347880.db2.gz KNIDSWRBTSFLPK-CFCWSMIUSA-N 1 1 522.070 4.881 50 0 KJAAMO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ccccc3C(=O)NCCC[NH+]3CCOCC3)cc12 ZINC000053391779 554348780 /nfs/dbraw/zinc/34/87/80/554348780.db2.gz CSVOGMJAGWYGSD-UHFFFAOYSA-N 1 1 538.073 4.753 50 0 KJAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@@H+](C)CC3)N(C/C(Cl)=C/c3ccccc3)C2)cc1 ZINC000055052865 554349967 /nfs/dbraw/zinc/34/99/67/554349967.db2.gz NSHVJKREZHZKMR-QVMJDMRHSA-N 1 1 500.108 4.674 50 0 KJAAMO COCc1c(C(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)c(=O)cc(C)n1Cc1cccc2ccccc21 ZINC000055107607 554350241 /nfs/dbraw/zinc/35/02/41/554350241.db2.gz DLWZCCCWFDQGJP-GDLZYMKVSA-N 1 1 535.688 4.820 50 0 KJAAMO COCc1c(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c(=O)cc(C)n1Cc1cccc2ccccc21 ZINC000055107609 554350167 /nfs/dbraw/zinc/35/01/67/554350167.db2.gz DLWZCCCWFDQGJP-LJAQVGFWSA-N 1 1 535.688 4.820 50 0 KJAAMO O=C(COc1ccc(-c2ncccn2)cc1C[NH+]1CCN(c2ccccc2)CC1)NCc1ccccc1Cl ZINC000055107757 554350371 /nfs/dbraw/zinc/35/03/71/554350371.db2.gz GHBKPERRMSVMOD-UHFFFAOYSA-N 1 1 528.056 4.814 50 0 KJAAMO O=S(=O)(NCCCOc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1)c1ccccc1F ZINC000055118849 554350278 /nfs/dbraw/zinc/35/02/78/554350278.db2.gz BBWMAKGPUKHRTG-UHFFFAOYSA-N 1 1 518.054 4.549 50 0 KJAAMO C[C@@H](c1ccco1)N(C)C(=O)COc1ccc(-c2ncccn2)cc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000055119017 1067163408 /nfs/dbraw/zinc/16/34/08/1067163408.db2.gz WYOQOXRXNHSXRZ-QHCPKHFHSA-N 1 1 511.626 4.657 50 0 KJAAMO C[C@H](c1ccco1)N(C)C(=O)COc1ccc(-c2ncccn2)cc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000055119020 1067163239 /nfs/dbraw/zinc/16/32/39/1067163239.db2.gz WYOQOXRXNHSXRZ-HSZRJFAPSA-N 1 1 511.626 4.657 50 0 KJAAMO COc1cccc(C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccc(C(F)(F)F)cc3)C4=O)CC2)c1 ZINC000055133917 554350412 /nfs/dbraw/zinc/35/04/12/554350412.db2.gz PKRSAHABXPHTEF-UHFFFAOYSA-N 1 1 509.528 4.832 50 0 KJAAMO O=C(NCCCOc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000055168931 554350329 /nfs/dbraw/zinc/35/03/29/554350329.db2.gz MXGNKXCTMUJGIF-UHFFFAOYSA-N 1 1 508.018 4.590 50 0 KJAAMO O=C(COc1ccc(-c2ncccn2)cc1C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(F)c(F)c1 ZINC000055183109 554350228 /nfs/dbraw/zinc/35/02/28/554350228.db2.gz UFJWDXWHCNMBGH-UHFFFAOYSA-N 1 1 515.564 4.762 50 0 KJAAMO O=C1c2cccc(N3CC[NH+](Cc4c[nH]nc4-c4ccc(Cl)cc4)CC3)c2C(=O)N1Cc1ccsc1 ZINC000055211652 554350669 /nfs/dbraw/zinc/35/06/69/554350669.db2.gz ZVHQGPVHNZWIPE-UHFFFAOYSA-N 1 1 518.042 4.910 50 0 KJAAMO COc1ccccc1C[NH+]1CCN(c2cccc3c2C(=O)N(Cc2cccc(C(F)(F)F)c2)C3=O)CC1 ZINC000055228600 554350772 /nfs/dbraw/zinc/35/07/72/554350772.db2.gz SPQVJSJCDBZIRN-UHFFFAOYSA-N 1 1 509.528 4.832 50 0 KJAAMO CC1(C)C[C@H](C(=O)NCCCOc2ccc(C[NH+]3CCN(c4ccccc4Cl)CC3)cc2)CCO1 ZINC000055243995 554350717 /nfs/dbraw/zinc/35/07/17/554350717.db2.gz ZSZFCEUQTSVGSO-HSZRJFAPSA-N 1 1 500.083 4.753 50 0 KJAAMO CC1(C)C[C@@H](C(=O)NCCCOc2ccc(C[NH+]3CCN(c4ccccc4Cl)CC3)cc2)CCO1 ZINC000055244003 554350563 /nfs/dbraw/zinc/35/05/63/554350563.db2.gz ZSZFCEUQTSVGSO-QHCPKHFHSA-N 1 1 500.083 4.753 50 0 KJAAMO COc1cc(C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000057015848 554351943 /nfs/dbraw/zinc/35/19/43/554351943.db2.gz JLAOUYFCAUSKLG-BVZFJXPGSA-N 1 1 513.635 4.595 50 0 KJAAMO COc1cc(C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000057015849 554352081 /nfs/dbraw/zinc/35/20/81/554352081.db2.gz JLAOUYFCAUSKLG-CJAUYULYSA-N 1 1 513.635 4.595 50 0 KJAAMO COc1cc(C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000057015851 554352072 /nfs/dbraw/zinc/35/20/72/554352072.db2.gz JLAOUYFCAUSKLG-AVRWGWEMSA-N 1 1 513.635 4.595 50 0 KJAAMO COc1cc(C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000057015853 554352129 /nfs/dbraw/zinc/35/21/29/554352129.db2.gz JLAOUYFCAUSKLG-IQGLISFBSA-N 1 1 513.635 4.595 50 0 KJAAMO CCc1cccc2c1NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000057099735 554352192 /nfs/dbraw/zinc/35/21/92/554352192.db2.gz IGYIBWZIXUAGJB-BAAZAXTHSA-N 1 1 512.009 4.917 50 0 KJAAMO CCc1cccc2c1NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000057099735 554352189 /nfs/dbraw/zinc/35/21/89/554352189.db2.gz IGYIBWZIXUAGJB-BAAZAXTHSA-N 1 1 512.009 4.917 50 0 KJAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000057105685 554352427 /nfs/dbraw/zinc/35/24/27/554352427.db2.gz IQWPBHJOZIAOBK-DARZMLDPSA-N 1 1 512.009 4.917 50 0 KJAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000057105685 554352423 /nfs/dbraw/zinc/35/24/23/554352423.db2.gz IQWPBHJOZIAOBK-DARZMLDPSA-N 1 1 512.009 4.917 50 0 KJAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000057110907 554352269 /nfs/dbraw/zinc/35/22/69/554352269.db2.gz ZERZQBDBVILFRX-DARZMLDPSA-N 1 1 512.009 4.917 50 0 KJAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000057111063 554352336 /nfs/dbraw/zinc/35/23/36/554352336.db2.gz VOWQHFSDCCIMFD-BAAZAXTHSA-N 1 1 512.009 4.971 50 0 KJAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(F)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000057121156 554352823 /nfs/dbraw/zinc/35/28/23/554352823.db2.gz PAKSGPAJHHDAHR-BYSIJJKSSA-N 1 1 515.972 4.802 50 0 KJAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(F)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000057121156 554352821 /nfs/dbraw/zinc/35/28/21/554352821.db2.gz PAKSGPAJHHDAHR-BYSIJJKSSA-N 1 1 515.972 4.802 50 0 KJAAMO CC1(C)Cc2c(sc3nc(N4CC[NH+](Cc5ccccc5)CC4)n(Cc4ccccc4)c(=O)c32)CO1 ZINC000057156134 554352678 /nfs/dbraw/zinc/35/26/78/554352678.db2.gz YOAUWTZZVYGULW-UHFFFAOYSA-N 1 1 500.668 4.680 50 0 KJAAMO COc1cc2c(cc1OC)[C@@H](C(=O)N1CC[NH+](Cc3ccccc3)CC1)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000059503746 554399842 /nfs/dbraw/zinc/39/98/42/554399842.db2.gz FDKLELVYTXYHDZ-FQLXRVMXSA-N 1 1 545.705 4.681 50 0 KJAAMO COc1cc2c(cc1OC)[C@@H](C(=O)N1CC[NH+](Cc3ccccc3)CC1)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000059503747 554399812 /nfs/dbraw/zinc/39/98/12/554399812.db2.gz FDKLELVYTXYHDZ-WDYNHAJCSA-N 1 1 545.705 4.681 50 0 KJAAMO COc1cc2c(cc1OC)[C@H](C(=O)N1CC[NH+](Cc3ccccc3)CC1)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000059503748 554399924 /nfs/dbraw/zinc/39/99/24/554399924.db2.gz FDKLELVYTXYHDZ-URLMMPGGSA-N 1 1 545.705 4.681 50 0 KJAAMO COc1cc2c(cc1OC)[C@H](C(=O)N1CC[NH+](Cc3ccccc3)CC1)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000059503749 554399802 /nfs/dbraw/zinc/39/98/02/554399802.db2.gz FDKLELVYTXYHDZ-VMPREFPWSA-N 1 1 545.705 4.681 50 0 KJAAMO CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccn4)cc(C(=O)NCCC[N@H+]4CCCC[C@@H]4C)c3c2)CC1 ZINC000059515187 554402888 /nfs/dbraw/zinc/40/28/88/554402888.db2.gz OKUYPGBJDCEYTB-QHCPKHFHSA-N 1 1 549.741 4.712 50 0 KJAAMO CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccn4)cc(C(=O)NCCC[N@H+]4CCCC[C@H]4C)c3c2)CC1 ZINC000059515188 554402769 /nfs/dbraw/zinc/40/27/69/554402769.db2.gz OKUYPGBJDCEYTB-HSZRJFAPSA-N 1 1 549.741 4.712 50 0 KJAAMO CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000059523261 554404651 /nfs/dbraw/zinc/40/46/51/554404651.db2.gz MCVLDHLHKAKPAL-FIRIVFDPSA-N 1 1 539.676 4.665 50 0 KJAAMO CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000059523263 554404600 /nfs/dbraw/zinc/40/46/00/554404600.db2.gz MCVLDHLHKAKPAL-JSOSNVBQSA-N 1 1 539.676 4.665 50 0 KJAAMO CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000059523265 554404556 /nfs/dbraw/zinc/40/45/56/554404556.db2.gz MCVLDHLHKAKPAL-IOWSJCHKSA-N 1 1 539.676 4.665 50 0 KJAAMO CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000059523267 554404686 /nfs/dbraw/zinc/40/46/86/554404686.db2.gz MCVLDHLHKAKPAL-CONSDPRKSA-N 1 1 539.676 4.665 50 0 KJAAMO CC1CCN(S(=O)(=O)c2ccc3nc(-c4cccnc4)cc(C(=O)NCCC[N@H+]4CCCC[C@@H]4C)c3c2)CC1 ZINC000059524243 554405339 /nfs/dbraw/zinc/40/53/39/554405339.db2.gz BHNNGKSKRGNTNF-QHCPKHFHSA-N 1 1 549.741 4.712 50 0 KJAAMO CC1CCN(S(=O)(=O)c2ccc3nc(-c4cccnc4)cc(C(=O)NCCC[N@H+]4CCCC[C@H]4C)c3c2)CC1 ZINC000059524250 554405355 /nfs/dbraw/zinc/40/53/55/554405355.db2.gz BHNNGKSKRGNTNF-HSZRJFAPSA-N 1 1 549.741 4.712 50 0 KJAAMO CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccn4)cc(C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)c3c2)CC1 ZINC000059524263 554405401 /nfs/dbraw/zinc/40/54/01/554405401.db2.gz SLHCWYGXJRIGAT-PSWAGMNNSA-N 1 1 563.768 4.815 50 0 KJAAMO COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)CC2)cc1Cl ZINC000059630789 554416297 /nfs/dbraw/zinc/41/62/97/554416297.db2.gz ZDICXCYFVAPSLG-UHFFFAOYSA-N 1 1 568.139 4.683 50 0 KJAAMO COc1ccccc1N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000059646116 554417220 /nfs/dbraw/zinc/41/72/20/554417220.db2.gz FHAJVJDJZOXMQP-UHFFFAOYSA-N 1 1 555.700 4.824 50 0 KJAAMO COc1ccc(N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000059646138 554417245 /nfs/dbraw/zinc/41/72/45/554417245.db2.gz LODZQQCMSKTRJM-UHFFFAOYSA-N 1 1 585.726 4.833 50 0 KJAAMO COc1ccc(N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1OC ZINC000059647273 554417765 /nfs/dbraw/zinc/41/77/65/554417765.db2.gz GUOYQPRGJBVORR-UHFFFAOYSA-N 1 1 585.726 4.833 50 0 KJAAMO CCOC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(OC)c(C[NH+]3CCN(c4ccccc4OC)CC3)c2)N1 ZINC000059677265 554423757 /nfs/dbraw/zinc/42/37/57/554423757.db2.gz BUPGXESRUZFQJH-DHIFEGFHSA-N 1 1 554.691 4.674 50 0 biogenic,in-vitro KJAAMO CCOC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(OC)c(C[NH+]3CCN(c4ccccc4OC)CC3)c2)N1 ZINC000059677268 554423774 /nfs/dbraw/zinc/42/37/74/554423774.db2.gz BUPGXESRUZFQJH-JOMNFKBKSA-N 1 1 554.691 4.674 50 0 biogenic,in-vitro KJAAMO CCOC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(OC)c(C[NH+]3CCN(c4ccccc4OC)CC3)c2)N1 ZINC000059677271 554423813 /nfs/dbraw/zinc/42/38/13/554423813.db2.gz BUPGXESRUZFQJH-JTSJOTPCSA-N 1 1 554.691 4.674 50 0 biogenic,in-vitro KJAAMO CCOC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(OC)c(C[NH+]3CCN(c4ccccc4OC)CC3)c2)N1 ZINC000059677272 554423801 /nfs/dbraw/zinc/42/38/01/554423801.db2.gz BUPGXESRUZFQJH-DLFZDVPBSA-N 1 1 554.691 4.674 50 0 biogenic,in-vitro KJAAMO O=C(C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000059739728 554428028 /nfs/dbraw/zinc/42/80/28/554428028.db2.gz FKTUCUUOQKWSSO-UHFFFAOYSA-N 1 1 582.564 4.784 50 0 KJAAMO O=C(COc1ccccc1)Nc1nnc(SCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)s1 ZINC000059778556 554429365 /nfs/dbraw/zinc/42/93/65/554429365.db2.gz LWLDGGUKQYFHEB-UHFFFAOYSA-N 1 1 559.717 4.582 50 0 KJAAMO O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000059844822 554448325 /nfs/dbraw/zinc/44/83/25/554448325.db2.gz SGPHQFMFCYFRDF-UHFFFAOYSA-N 1 1 552.018 4.899 50 0 KJAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(c3ccc(C)c(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000061954442 554505901 /nfs/dbraw/zinc/50/59/01/554505901.db2.gz QEBRGKUXJSEWSI-GYOFENNSSA-N 1 1 521.617 4.717 50 0 KJAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(c3cc(C)cc(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000061954553 554505793 /nfs/dbraw/zinc/50/57/93/554505793.db2.gz SFJVDJKWVJXRMO-GYOFENNSSA-N 1 1 521.617 4.717 50 0 KJAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000061997758 554506090 /nfs/dbraw/zinc/50/60/90/554506090.db2.gz NMSPFJVOAUCHFT-BAAZAXTHSA-N 1 1 512.009 4.971 50 0 biogenic KJAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000061997758 554506089 /nfs/dbraw/zinc/50/60/89/554506089.db2.gz NMSPFJVOAUCHFT-BAAZAXTHSA-N 1 1 512.009 4.971 50 0 biogenic KJAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000061999373 554506379 /nfs/dbraw/zinc/50/63/79/554506379.db2.gz KXZMEDIJZBYICC-BAAZAXTHSA-N 1 1 512.009 4.971 50 0 biogenic KJAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000061999373 554506376 /nfs/dbraw/zinc/50/63/76/554506376.db2.gz KXZMEDIJZBYICC-BAAZAXTHSA-N 1 1 512.009 4.971 50 0 biogenic KJAAMO Cc1cccc2c1NC(=O)[C@]21[N@H+]2CCC[C@H]2C(C(=O)c2cc3ccccc3o2)[C@]12C(=O)Nc1ccccc12 ZINC000061999375 554506308 /nfs/dbraw/zinc/50/63/08/554506308.db2.gz KIFGDSAGXGCPDB-JZMUPVMCSA-N 1 1 503.558 4.756 50 0 biogenic KJAAMO Cc1cccc2c1NC(=O)[C@]21[N@@H+]2CCC[C@H]2C(C(=O)c2cc3ccccc3o2)[C@]12C(=O)Nc1ccccc12 ZINC000061999375 554506304 /nfs/dbraw/zinc/50/63/04/554506304.db2.gz KIFGDSAGXGCPDB-JZMUPVMCSA-N 1 1 503.558 4.756 50 0 biogenic KJAAMO Cc1cccc2c1NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2cc3ccccc3o2)[C@]12C(=O)Nc1ccccc12 ZINC000061999375 554506298 /nfs/dbraw/zinc/50/62/98/554506298.db2.gz KIFGDSAGXGCPDB-JZMUPVMCSA-N 1 1 503.558 4.756 50 0 biogenic KJAAMO COc1ccc(Nc2cc(C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)c3ccccc3n2)c(OC)c1 ZINC000063473082 554509209 /nfs/dbraw/zinc/50/92/09/554509209.db2.gz KHAKHFLZMOEFIB-UHFFFAOYSA-N 1 1 511.626 4.548 50 0 KJAAMO Cc1cc2sc(N3CCC[C@@H](C(=O)NCC[NH+]4CCN(c5cccc(C)c5C)CC4)C3)nc2c(C)c1 ZINC000063505968 554509710 /nfs/dbraw/zinc/50/97/10/554509710.db2.gz QFNLAGDFEOLNHP-XMMPIXPASA-N 1 1 505.732 4.685 50 0 KJAAMO Cc1cc2sc(N3CCC[C@H](C(=O)NCC[NH+]4CCN(c5cccc(C)c5C)CC4)C3)nc2c(C)c1 ZINC000063505973 554509680 /nfs/dbraw/zinc/50/96/80/554509680.db2.gz QFNLAGDFEOLNHP-DEOSSOPVSA-N 1 1 505.732 4.685 50 0 KJAAMO Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCC[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000063567340 554509914 /nfs/dbraw/zinc/50/99/14/554509914.db2.gz BOJVTWTXBCAVGD-UHFFFAOYSA-N 1 1 517.077 4.794 50 0 KJAAMO Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCC[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000063567358 554510120 /nfs/dbraw/zinc/51/01/20/554510120.db2.gz CRPOCSZIRMSKSE-UHFFFAOYSA-N 1 1 521.040 4.624 50 0 KJAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000063729437 554510277 /nfs/dbraw/zinc/51/02/77/554510277.db2.gz WCUCXTQWIABPDP-ONUIUJJFSA-N 1 1 519.070 4.977 50 0 KJAAMO O=C(COc1ccc(-c2ncccn2)cc1C[NH+]1CCN(c2ccccc2)CC1)NC1C2CC3CC(C2)CC1C3 ZINC000064058447 1066498320 /nfs/dbraw/zinc/49/83/20/1066498320.db2.gz PFYXRPYISXQVNH-UHFFFAOYSA-N 1 1 537.708 4.786 50 0 KJAAMO CCc1ccc(-c2nc3sc(N(C)CC(=O)NCC[N@H+]4CCCC[C@@H]4C)nn3c2NC(C)(C)C)cc1 ZINC000064438856 554510789 /nfs/dbraw/zinc/51/07/89/554510789.db2.gz ZOPHNQAKAFQNFV-IBGZPJMESA-N 1 1 511.740 4.657 50 0 KJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CN(C)c1nn2c(nc(-c3ccc(F)cc3)c2NC(C)(C)C)s1 ZINC000064703933 554514318 /nfs/dbraw/zinc/51/43/18/554514318.db2.gz GJDYRJRMQXQTHC-GOSISDBHSA-N 1 1 515.703 4.624 50 0 KJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CN(C)c1nn2c(nc(-c3ccc(F)cc3)c2NC(C)(C)C)s1 ZINC000064703935 554514307 /nfs/dbraw/zinc/51/43/07/554514307.db2.gz GJDYRJRMQXQTHC-SFHVURJKSA-N 1 1 515.703 4.624 50 0 KJAAMO Cc1ccc(-c2nc3sc(N(C)CC(=O)NCCC[N@@H+]4CCCC[C@@H]4C)nn3c2NC(C)(C)C)cc1 ZINC000064704132 554514664 /nfs/dbraw/zinc/51/46/64/554514664.db2.gz YITFXEQZEFRMHX-FQEVSTJZSA-N 1 1 511.740 4.794 50 0 KJAAMO Cc1ccc(-c2nc3sc(N(C)CC(=O)NCC[N@@H+](C)Cc4ccccc4)nn3c2NC(C)(C)C)cc1 ZINC000064704137 554514635 /nfs/dbraw/zinc/51/46/35/554514635.db2.gz XCSIRUFEAUUMLS-UHFFFAOYSA-N 1 1 519.719 4.661 50 0 KJAAMO Cc1ccc(-c2nc3sc(N(C)CC(=O)NCCC[N@@H+]4CCC[C@H](C)C4)nn3c2NC(C)(C)C)cc1 ZINC000064704146 554514613 /nfs/dbraw/zinc/51/46/13/554514613.db2.gz OHISDGPSAARFFM-FQEVSTJZSA-N 1 1 511.740 4.651 50 0 KJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CN(C)c1nn2c(nc(-c3cccc(F)c3)c2NC(C)(C)C)s1 ZINC000064704274 554514868 /nfs/dbraw/zinc/51/48/68/554514868.db2.gz YNVDAKIAPNNHDF-GOSISDBHSA-N 1 1 515.703 4.624 50 0 KJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CN(C)c1nn2c(nc(-c3cccc(F)c3)c2NC(C)(C)C)s1 ZINC000064704276 554514825 /nfs/dbraw/zinc/51/48/25/554514825.db2.gz YNVDAKIAPNNHDF-SFHVURJKSA-N 1 1 515.703 4.624 50 0 KJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CN(C)c1nn2c(nc(-c3ccccc3)c2NC2CCCC2)s1 ZINC000064704307 554514933 /nfs/dbraw/zinc/51/49/33/554514933.db2.gz SUUIVLJCJFFGLJ-HXUWFJFHSA-N 1 1 509.724 4.629 50 0 KJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CN(C)c1nn2c(nc(-c3ccccc3)c2NC2CCCC2)s1 ZINC000064704309 554514833 /nfs/dbraw/zinc/51/48/33/554514833.db2.gz SUUIVLJCJFFGLJ-FQEVSTJZSA-N 1 1 509.724 4.629 50 0 KJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CN(C)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000064704443 554514883 /nfs/dbraw/zinc/51/48/83/554514883.db2.gz UJAKDPWYAWCMGC-OAQYLSRUSA-N 1 1 511.740 4.875 50 0 KJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CN(C)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000064704446 554514951 /nfs/dbraw/zinc/51/49/51/554514951.db2.gz UJAKDPWYAWCMGC-NRFANRHFSA-N 1 1 511.740 4.875 50 0 KJAAMO C[C@@H](c1cc(-c2ccccc2)n[nH]1)[N@@H+](C)Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1 ZINC000067514819 554532817 /nfs/dbraw/zinc/53/28/17/554532817.db2.gz PWRQGTROBCUBKZ-KRWDZBQOSA-N 1 1 509.532 4.907 50 0 KJAAMO C[C@@H](c1cc(-c2ccccc2)n[nH]1)[N@H+](C)Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1 ZINC000067514819 554532813 /nfs/dbraw/zinc/53/28/13/554532813.db2.gz PWRQGTROBCUBKZ-KRWDZBQOSA-N 1 1 509.532 4.907 50 0 KJAAMO C[C@H](c1cc(-c2ccccc2)n[nH]1)[N@@H+](C)Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1 ZINC000067514821 554532791 /nfs/dbraw/zinc/53/27/91/554532791.db2.gz PWRQGTROBCUBKZ-QGZVFWFLSA-N 1 1 509.532 4.907 50 0 KJAAMO C[C@H](c1cc(-c2ccccc2)n[nH]1)[N@H+](C)Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1 ZINC000067514821 554532788 /nfs/dbraw/zinc/53/27/88/554532788.db2.gz PWRQGTROBCUBKZ-QGZVFWFLSA-N 1 1 509.532 4.907 50 0 KJAAMO O=C(c1cccc(C[NH+](CCn2cccn2)Cc2cccc(C(=O)N3CCCCC3)c2)c1)N1CCCCC1 ZINC000069820144 553593569 /nfs/dbraw/zinc/59/35/69/553593569.db2.gz ZNUXHDYVFDNFLF-UHFFFAOYSA-N 1 1 513.686 4.838 50 0 KJAAMO Cc1cnn(CC[NH+](Cc2cccc(C(=O)NCC(C)C)c2)Cc2cccc(C(=O)NCC(C)C)c2)c1 ZINC000070011440 553593862 /nfs/dbraw/zinc/59/38/62/553593862.db2.gz BPIGZGBBYNRHQP-UHFFFAOYSA-N 1 1 503.691 4.666 50 0 KJAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4cc(C)ccc4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070699063 553615603 /nfs/dbraw/zinc/61/56/03/553615603.db2.gz AWOZPBVCZRXSKJ-NFLLHDQJSA-N 1 1 521.617 4.798 50 0 biogenic KJAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000070699198 553615878 /nfs/dbraw/zinc/61/58/78/553615878.db2.gz VLJHPKVUKWDOLM-BAAZAXTHSA-N 1 1 528.008 4.672 50 0 biogenic KJAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000070699198 553615877 /nfs/dbraw/zinc/61/58/77/553615877.db2.gz VLJHPKVUKWDOLM-BAAZAXTHSA-N 1 1 528.008 4.672 50 0 biogenic KJAAMO COc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3c2cc(Cl)cc3C)[C@@]12C(=O)Nc1ccccc12 ZINC000070699514 553616572 /nfs/dbraw/zinc/61/65/72/553616572.db2.gz PPGNSWFEOPSWDX-SFYJVUIZSA-N 1 1 528.008 4.672 50 0 biogenic KJAAMO COc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3c2cc(Cl)cc3C)[C@@]12C(=O)Nc1ccccc12 ZINC000070699514 553616569 /nfs/dbraw/zinc/61/65/69/553616569.db2.gz PPGNSWFEOPSWDX-SFYJVUIZSA-N 1 1 528.008 4.672 50 0 biogenic KJAAMO COc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3c2ccc(Cl)c3C)[C@@]12C(=O)Nc1ccccc12 ZINC000070699782 553617093 /nfs/dbraw/zinc/61/70/93/553617093.db2.gz NSGMPQZQRZASNL-SFYJVUIZSA-N 1 1 528.008 4.672 50 0 biogenic KJAAMO COc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3c2ccc(Cl)c3C)[C@@]12C(=O)Nc1ccccc12 ZINC000070699782 553617090 /nfs/dbraw/zinc/61/70/90/553617090.db2.gz NSGMPQZQRZASNL-SFYJVUIZSA-N 1 1 528.008 4.672 50 0 biogenic KJAAMO COc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000070699922 553617395 /nfs/dbraw/zinc/61/73/95/553617395.db2.gz RAYFYARXTQAAMK-BAAZAXTHSA-N 1 1 528.008 4.672 50 0 biogenic KJAAMO COc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000070699922 553617390 /nfs/dbraw/zinc/61/73/90/553617390.db2.gz RAYFYARXTQAAMK-BAAZAXTHSA-N 1 1 528.008 4.672 50 0 biogenic KJAAMO COc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3c2cc(C)cc3Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000070700688 553619062 /nfs/dbraw/zinc/61/90/62/553619062.db2.gz NPRFOQNNBLJIAN-SFYJVUIZSA-N 1 1 528.008 4.672 50 0 biogenic KJAAMO COc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3c2cc(C)cc3Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000070700688 553619060 /nfs/dbraw/zinc/61/90/60/553619060.db2.gz NPRFOQNNBLJIAN-SFYJVUIZSA-N 1 1 528.008 4.672 50 0 biogenic KJAAMO COc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000070700901 553620072 /nfs/dbraw/zinc/62/00/72/553620072.db2.gz YTSIUCGECJKHAA-BAAZAXTHSA-N 1 1 528.008 4.672 50 0 biogenic KJAAMO COc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000070700901 553620066 /nfs/dbraw/zinc/62/00/66/553620066.db2.gz YTSIUCGECJKHAA-BAAZAXTHSA-N 1 1 528.008 4.672 50 0 biogenic KJAAMO Cc1cccc2c1NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000070700976 553619913 /nfs/dbraw/zinc/61/99/13/553619913.db2.gz BTTZRLPNQOHRLG-BYSIJJKSSA-N 1 1 542.433 4.772 50 0 biogenic KJAAMO Cc1cccc2c1NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(OC(C)C)cc2)[C@@]12c1ccccc1NC2=O ZINC000070701156 553620832 /nfs/dbraw/zinc/62/08/32/553620832.db2.gz BCYGFGJGDNMXCV-BANVDVKSSA-N 1 1 521.617 4.797 50 0 biogenic KJAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4cccc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070701206 553621188 /nfs/dbraw/zinc/62/11/88/553621188.db2.gz MUMNJMRRHCKHIQ-BANVDVKSSA-N 1 1 521.617 4.798 50 0 biogenic KJAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000070701239 553621089 /nfs/dbraw/zinc/62/10/89/553621089.db2.gz UOHDJPJLYDVYTD-BAAZAXTHSA-N 1 1 528.008 4.672 50 0 biogenic KJAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000070701239 553621087 /nfs/dbraw/zinc/62/10/87/553621087.db2.gz UOHDJPJLYDVYTD-BAAZAXTHSA-N 1 1 528.008 4.672 50 0 biogenic KJAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000070705707 553626193 /nfs/dbraw/zinc/62/61/93/553626193.db2.gz JVKNTDSYNORIEP-KDLQGFRMSA-N 1 1 558.034 4.680 50 0 biogenic KJAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000070705707 553626191 /nfs/dbraw/zinc/62/61/91/553626191.db2.gz JVKNTDSYNORIEP-KDLQGFRMSA-N 1 1 558.034 4.680 50 0 biogenic KJAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000070706045 553626995 /nfs/dbraw/zinc/62/69/95/553626995.db2.gz RGOIEQIXJJUYKS-KDLQGFRMSA-N 1 1 558.034 4.680 50 0 biogenic KJAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000070706045 553626994 /nfs/dbraw/zinc/62/69/94/553626994.db2.gz RGOIEQIXJJUYKS-KDLQGFRMSA-N 1 1 558.034 4.680 50 0 biogenic KJAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000072139570 553645031 /nfs/dbraw/zinc/64/50/31/553645031.db2.gz BKOVKFFVVYPMCJ-HXUWFJFHSA-N 1 1 552.096 4.937 50 0 KJAAMO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000072139570 553645027 /nfs/dbraw/zinc/64/50/27/553645027.db2.gz BKOVKFFVVYPMCJ-HXUWFJFHSA-N 1 1 552.096 4.937 50 0 KJAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000072139571 553644884 /nfs/dbraw/zinc/64/48/84/553644884.db2.gz BKOVKFFVVYPMCJ-FQEVSTJZSA-N 1 1 552.096 4.937 50 0 KJAAMO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000072139571 553644882 /nfs/dbraw/zinc/64/48/82/553644882.db2.gz BKOVKFFVVYPMCJ-FQEVSTJZSA-N 1 1 552.096 4.937 50 0 KJAAMO C[C@H](CCC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000072325736 553648530 /nfs/dbraw/zinc/64/85/30/553648530.db2.gz NKDDLORPNSREMI-MFPDQIHISA-N 1 1 566.827 4.709 50 0 biogenic KJAAMO Cc1cc(Nc2ncnc3ccc(-c4ccc(C[NH2+]CCS(C)(=O)=O)o4)cc32)ccc1Oc1ccn2ncnc2c1 ZINC000073096245 553652088 /nfs/dbraw/zinc/65/20/88/553652088.db2.gz QVMNYGOVNWWFKF-UHFFFAOYSA-N 1 1 569.647 4.911 50 0 in-vitro KJAAMO CCCCc1cc(=O)oc2c3c(cc(OCC(=O)NC[C@@H]4CCC[N@H+]5CCCC[C@H]45)c12)OC(C)(C)CC3 ZINC000079189720 553667362 /nfs/dbraw/zinc/66/73/62/553667362.db2.gz TWPYQZNXKNCYSC-JTHBVZDNSA-N 1 1 510.675 4.999 50 0 biogenic KJAAMO CC1(C)CCc2c(cc(OCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c3c4c(c(=O)oc23)CCCC4)O1 ZINC000079192222 553668353 /nfs/dbraw/zinc/66/83/53/553668353.db2.gz GZTMGTFVVIZYLG-WMZHIEFXSA-N 1 1 508.659 4.535 50 0 biogenic KJAAMO COc1cccc(-c2nnc(SCc3ccccc3C(=O)N3CC[NH+](C)CC3)n2Cc2ccccc2)c1 ZINC000085405080 553679601 /nfs/dbraw/zinc/67/96/01/553679601.db2.gz ZTBSODXXESIWHO-UHFFFAOYSA-N 1 1 513.667 4.682 50 0 KJAAMO COc1cccc(-c2nnc(SCc3ccccc3C(=O)N3CC[NH+](C)CC3)n2-c2ccc(F)cc2)c1 ZINC000085405172 553679583 /nfs/dbraw/zinc/67/95/83/553679583.db2.gz SAKKGFOPSKVDSJ-UHFFFAOYSA-N 1 1 517.630 4.762 50 0 KJAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)CC1 ZINC000085409324 553680006 /nfs/dbraw/zinc/68/00/06/553680006.db2.gz XYUZSKWMKCOJQW-UHFFFAOYSA-N 1 1 511.695 4.987 50 0 KJAAMO C[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)CC1 ZINC000085424816 553681696 /nfs/dbraw/zinc/68/16/96/553681696.db2.gz ANQPMDFIBCWOBD-UHFFFAOYSA-N 1 1 501.631 4.677 50 0 KJAAMO CCC1=C[C@H]2CN(C1)Cc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000085536956 553682758 /nfs/dbraw/zinc/68/27/58/553682758.db2.gz GBABOYUKABKIAF-JKVZWNDSSA-N 1 1 778.947 4.754 50 0 world KJAAMO CCC1=C[C@H]2CN(C1)Cc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000085536956 553682755 /nfs/dbraw/zinc/68/27/55/553682755.db2.gz GBABOYUKABKIAF-JKVZWNDSSA-N 1 1 778.947 4.754 50 0 world KJAAMO CCC1=C[C@@H]2CN(C1)Cc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000085536958 553682713 /nfs/dbraw/zinc/68/27/13/553682713.db2.gz GBABOYUKABKIAF-IELIFDKJSA-N 1 1 778.947 4.754 50 0 biogenic,world KJAAMO CCC1=C[C@@H]2CN(C1)Cc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000085536958 553682711 /nfs/dbraw/zinc/68/27/11/553682711.db2.gz GBABOYUKABKIAF-IELIFDKJSA-N 1 1 778.947 4.754 50 0 biogenic,world KJAAMO COc1ccccc1N1CC[NH+](Cc2cnc(C)c3oc(-c4cc(=O)oc5cc6c(cc54)OCO6)cc32)CC1 ZINC000095480912 553701861 /nfs/dbraw/zinc/70/18/61/553701861.db2.gz KKYOKBWXVHHZNF-UHFFFAOYSA-N 1 1 525.561 4.969 50 0 KJAAMO CCOc1cc(C(=O)O[C@@H]2C[C@@H]3C[N@H+]4CCc5c6ccc(OC)cc6[nH]c5[C@H]4C[C@@H]3[C@H](C(=O)OC)[C@H]2OC)cc(OCC)c1OC ZINC000095803376 553713719 /nfs/dbraw/zinc/71/37/19/553713719.db2.gz OAHKGCZRPCQUJS-NRDBUMKBSA-N 1 1 636.742 4.951 50 0 KJAAMO CCOc1cc(C(=O)O[C@@H]2C[C@@H]3C[N@@H+]4CCc5c6ccc(OC)cc6[nH]c5[C@H]4C[C@@H]3[C@H](C(=O)OC)[C@H]2OC)cc(OCC)c1OC ZINC000095803376 553713716 /nfs/dbraw/zinc/71/37/16/553713716.db2.gz OAHKGCZRPCQUJS-NRDBUMKBSA-N 1 1 636.742 4.951 50 0 KJAAMO CC[NH+]1CCN(C(=O)c2cccc(Cn3cc(C)s/c3=N\C(=O)c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000096095984 553724058 /nfs/dbraw/zinc/72/40/58/553724058.db2.gz ZOZJTPYJYKLXJG-FVDSYPCUSA-N 1 1 517.482 4.732 50 0 KJAAMO COc1ccc(-c2c3c(c(OC)c4c2CC[N@@H+](C)[C@H]4[C@H]2OC(=O)c4c2ccc(OC)c4OC)OCO3)cc1 ZINC000096134192 553727205 /nfs/dbraw/zinc/72/72/05/553727205.db2.gz JVROIIDKCBXIGB-RPWUZVMVSA-N 1 1 519.550 4.557 50 0 KJAAMO COc1ccc(-c2c3c(c(OC)c4c2CC[N@H+](C)[C@H]4[C@H]2OC(=O)c4c2ccc(OC)c4OC)OCO3)cc1 ZINC000096134192 553727202 /nfs/dbraw/zinc/72/72/02/553727202.db2.gz JVROIIDKCBXIGB-RPWUZVMVSA-N 1 1 519.550 4.557 50 0 KJAAMO Cc1cccc(CS(=O)(=O)c2ncc(CN(CC[NH+](C)C)C(=O)NC(C)(C)C)n2C2CCCCC2)c1 ZINC000096211114 553729663 /nfs/dbraw/zinc/72/96/63/553729663.db2.gz XMTITFABIDFSIL-UHFFFAOYSA-N 1 1 517.740 4.542 50 0 KJAAMO Cn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)CN3c4cccnc4Sc4ccccc4C3=O)ccc21 ZINC000096223044 553731780 /nfs/dbraw/zinc/73/17/80/553731780.db2.gz VJQKMLHMSPVINZ-UHFFFAOYSA-N 1 1 512.639 4.704 50 0 KJAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)COCc4ccccc4)ccc3n2Cc2cccc(C)c2)CC1 ZINC000096275829 553732996 /nfs/dbraw/zinc/73/29/96/553732996.db2.gz LCRVJQMDVYYJQD-UHFFFAOYSA-N 1 1 524.665 4.931 50 0 KJAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)c4ccccc4F)ccc3n2Cc2cccc(F)c2)CC1 ZINC000096276512 553733313 /nfs/dbraw/zinc/73/33/13/553733313.db2.gz WFOIVDJXGCGUOY-UHFFFAOYSA-N 1 1 502.565 4.998 50 0 KJAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)Cc4ccc(F)cc4)ccc3n2Cc2cccc(F)c2)CC1 ZINC000096276682 553733531 /nfs/dbraw/zinc/73/35/31/553733531.db2.gz ZJIKGYLNDUIPMC-UHFFFAOYSA-N 1 1 516.592 4.927 50 0 KJAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)c4ccc(F)cc4)ccc3n2Cc2cccc(F)c2)CC1 ZINC000096276774 553733514 /nfs/dbraw/zinc/73/35/14/553733514.db2.gz ZTEXWUHNZHSUQJ-UHFFFAOYSA-N 1 1 502.565 4.998 50 0 KJAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)c4cccc(F)c4)ccc3n2Cc2cccc(F)c2)CC1 ZINC000096276784 553733547 /nfs/dbraw/zinc/73/35/47/553733547.db2.gz YHPYAUQYHUPJJZ-UHFFFAOYSA-N 1 1 502.565 4.998 50 0 KJAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)COCc4ccccc4)ccc3n2Cc2cccc(F)c2)CC1 ZINC000096278150 553734547 /nfs/dbraw/zinc/73/45/47/553734547.db2.gz RXNQNKDGDOMOAU-UHFFFAOYSA-N 1 1 528.628 4.762 50 0 KJAAMO COc1ccc(C[NH+]2CCN(c3nc4nn(-c5cccc(F)c5)c(N)c4c(-c4cccs4)n3)CC2)cc1 ZINC000096280214 553736841 /nfs/dbraw/zinc/73/68/41/553736841.db2.gz XESSGCNWTVKYSJ-UHFFFAOYSA-N 1 1 515.618 4.596 50 0 KJAAMO COc1ccc(C[NH+]2CCN(c3nc4nn(-c5cccc(C)c5)c(N)c4c(-c4cccs4)n3)CC2)cc1 ZINC000096280216 553736826 /nfs/dbraw/zinc/73/68/26/553736826.db2.gz VHFACNMHUIUWOK-UHFFFAOYSA-N 1 1 511.655 4.765 50 0 KJAAMO C[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3cccnc3)n2-c2cccc(Cl)c2)CC1 ZINC000096287222 553738032 /nfs/dbraw/zinc/73/80/32/553738032.db2.gz MEVDDRNSZSCYOV-UHFFFAOYSA-N 1 1 505.047 4.663 50 0 KJAAMO COc1ccc(-n2c(SCc3ccccc3C(=O)N3CC[NH+](C)CC3)nnc2-c2ccc(C)cc2)cc1 ZINC000096287239 553738115 /nfs/dbraw/zinc/73/81/15/553738115.db2.gz ZXPZRWSVPHUWKS-UHFFFAOYSA-N 1 1 513.667 4.931 50 0 KJAAMO C[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(Cc3ccccc3)n2-c2ccccc2F)CC1 ZINC000096289807 553742363 /nfs/dbraw/zinc/74/23/63/553742363.db2.gz NDLUQYDCCDAGFN-UHFFFAOYSA-N 1 1 501.631 4.677 50 0 KJAAMO C[NH+]1CCN(C(=O)c2cccc(CSc3nnc(Cc4ccccc4)n3-c3ccccc3F)c2)CC1 ZINC000096289815 553742248 /nfs/dbraw/zinc/74/22/48/553742248.db2.gz YRPPEGJGDQNVPE-UHFFFAOYSA-N 1 1 501.631 4.677 50 0 KJAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3cccnc3)n2-c2ccc(F)cc2)CC1 ZINC000096290385 553743646 /nfs/dbraw/zinc/74/36/46/553743646.db2.gz AYLLZFDVOCDXAC-UHFFFAOYSA-N 1 1 502.619 4.538 50 0 KJAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4ccccc4Cl)n3[C@@H](C)COC)cc2)CC1 ZINC000096290942 553744272 /nfs/dbraw/zinc/74/42/72/553744272.db2.gz HKQLCOBJPVESSZ-IBGZPJMESA-N 1 1 514.095 4.876 50 0 KJAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4ccccc4Cl)n3[C@H](C)COC)cc2)CC1 ZINC000096290943 553744160 /nfs/dbraw/zinc/74/41/60/553744160.db2.gz HKQLCOBJPVESSZ-LJQANCHMSA-N 1 1 514.095 4.876 50 0 KJAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(Cc3ccccc3)n2-c2ccccc2OC)CC1 ZINC000096290966 553744363 /nfs/dbraw/zinc/74/43/63/553744363.db2.gz BXVPCKSOIMDGCN-UHFFFAOYSA-N 1 1 527.694 4.937 50 0 KJAAMO COc1ccccc1-n1c(Cc2ccccc2)nnc1SCc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000096290982 553744386 /nfs/dbraw/zinc/74/43/86/553744386.db2.gz NNARBQWITGODDC-UHFFFAOYSA-N 1 1 513.667 4.547 50 0 KJAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3ccco3)n2-c2ccccc2OC)CC1 ZINC000096290985 553744457 /nfs/dbraw/zinc/74/44/57/553744457.db2.gz NJSYGEOEDBXLPZ-UHFFFAOYSA-N 1 1 503.628 4.606 50 0 KJAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3ccncc3)n2-c2ccccc2F)CC1 ZINC000096291144 553744438 /nfs/dbraw/zinc/74/44/38/553744438.db2.gz WVWVIKGOBMGIJM-UHFFFAOYSA-N 1 1 502.619 4.538 50 0 KJAAMO C[NH+]1CCN(C(=O)c2cccc(CSc3nnc(-c4ccncc4)n3-c3cccc(Cl)c3)c2)CC1 ZINC000096291147 553744812 /nfs/dbraw/zinc/74/48/12/553744812.db2.gz BVCPMXKFWNQDGW-UHFFFAOYSA-N 1 1 505.047 4.663 50 0 KJAAMO COc1ccc(-n2c(SCc3cccc(C(=O)N4CC[NH+](C)CC4)c3)nnc2-c2cccc(OC)c2)cc1 ZINC000096291168 553744835 /nfs/dbraw/zinc/74/48/35/553744835.db2.gz RJEMWGVLJMHLLY-UHFFFAOYSA-N 1 1 529.666 4.631 50 0 KJAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)CC1 ZINC000096292031 553745703 /nfs/dbraw/zinc/74/57/03/553745703.db2.gz PHBODEKLJSBJFK-UHFFFAOYSA-N 1 1 502.619 4.538 50 0 KJAAMO CC[NH+]1CCN(C(=O)c2cccc(CSc3nnc(-c4ccncc4)n3-c3ccccc3F)c2)CC1 ZINC000096292040 553745617 /nfs/dbraw/zinc/74/56/17/553745617.db2.gz AYIGBUVSUFGADU-UHFFFAOYSA-N 1 1 502.619 4.538 50 0 KJAAMO COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000097676037 1067140696 /nfs/dbraw/zinc/14/06/96/1067140696.db2.gz OEHMFRWSHHDZFJ-PEZBUJJGSA-N 1 1 508.622 4.914 50 0 KJAAMO COc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000097947696 553788298 /nfs/dbraw/zinc/78/82/98/553788298.db2.gz OBBRNPMOUGHKII-BWAHOGKJSA-N 1 1 558.462 4.871 50 0 KJAAMO O=C(NCCC[NH+]1CCOCC1)/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=O)c1ccc(Cl)cc1 ZINC000097947697 553788283 /nfs/dbraw/zinc/78/82/83/553788283.db2.gz NXTMGNFQRIWURJ-MOHJPFBDSA-N 1 1 528.436 4.863 50 0 KJAAMO Cc1nc(SCc2ccc(C(=O)N3CCN(C)CC3)cc2)nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000097955958 553835211 /nfs/dbraw/zinc/83/52/11/553835211.db2.gz GGZWBXOPLFCXFG-JXMROGBWSA-N 1 1 556.780 4.609 50 0 KJAAMO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000097956028 553835737 /nfs/dbraw/zinc/83/57/37/553835737.db2.gz PGRQXXBDNVGDIL-UXIUWMLSSA-N 1 1 544.721 4.836 50 0 KJAAMO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000097956029 553835765 /nfs/dbraw/zinc/83/57/65/553835765.db2.gz PGRQXXBDNVGDIL-MKBVCECESA-N 1 1 544.721 4.836 50 0 KJAAMO Cc1nc(SCc2ccc(C(=O)N3CCOCC3)cc2)nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000097956413 553838813 /nfs/dbraw/zinc/83/88/13/553838813.db2.gz CZQBGKOCIVLOJV-RMKNXTFCSA-N 1 1 543.737 4.694 50 0 KJAAMO CC[NH+]1CCN(C(=O)c2ccc(Cn3c(C)c(C)s/c3=N\C(=O)c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000097956452 553839157 /nfs/dbraw/zinc/83/91/57/553839157.db2.gz BGNDURJMOQVXSA-ZXPTYKNPSA-N 1 1 530.616 4.752 50 0 KJAAMO COc1ccc(/C=C(\C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n2ccccc2=O)cc1OC ZINC000097960182 553868871 /nfs/dbraw/zinc/86/88/71/553868871.db2.gz WBLFAJIWIVFDFT-WEMUOSSPSA-N 1 1 535.644 4.797 50 0 KJAAMO COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C)C3)cc1 ZINC000097963393 553889766 /nfs/dbraw/zinc/88/97/66/553889766.db2.gz GBHFYUJAUDAJTQ-UHFFFAOYSA-N 1 1 600.788 4.549 50 0 KJAAMO COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C)C3)cc1 ZINC000097963393 553889765 /nfs/dbraw/zinc/88/97/65/553889765.db2.gz GBHFYUJAUDAJTQ-UHFFFAOYSA-N 1 1 600.788 4.549 50 0 KJAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963399 553889630 /nfs/dbraw/zinc/88/96/30/553889630.db2.gz YLVUXBUDSBMJMR-UHFFFAOYSA-N 1 1 526.709 4.905 50 0 KJAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963399 553889626 /nfs/dbraw/zinc/88/96/26/553889626.db2.gz YLVUXBUDSBMJMR-UHFFFAOYSA-N 1 1 526.709 4.905 50 0 KJAAMO COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2c1CC[N@H+](C(C)C)C2 ZINC000097963416 553889770 /nfs/dbraw/zinc/88/97/70/553889770.db2.gz IFUYFJOEKCIZKK-UHFFFAOYSA-N 1 1 549.759 4.856 50 0 KJAAMO COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000097963416 553889769 /nfs/dbraw/zinc/88/97/69/553889769.db2.gz IFUYFJOEKCIZKK-UHFFFAOYSA-N 1 1 549.759 4.856 50 0 KJAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)sc2c1CC[N@H+](C(C)C)C2 ZINC000097963423 553890120 /nfs/dbraw/zinc/89/01/20/553890120.db2.gz LOVJTNFSXACLBM-UHFFFAOYSA-N 1 1 567.733 4.691 50 0 KJAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000097963423 553890118 /nfs/dbraw/zinc/89/01/18/553890118.db2.gz LOVJTNFSXACLBM-UHFFFAOYSA-N 1 1 567.733 4.691 50 0 KJAAMO CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CC[N@@H+]3C[C@H](C)C[C@H](C)C3)ccc2OC)cc1Br ZINC000097981470 553994552 /nfs/dbraw/zinc/99/45/52/553994552.db2.gz HYTIBJVRLWWMOH-HDICACEKSA-N 1 1 568.534 4.964 50 0 KJAAMO CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CC[N@H+]3C[C@H](C)C[C@H](C)C3)ccc2OC)cc1Br ZINC000097981470 553994547 /nfs/dbraw/zinc/99/45/47/553994547.db2.gz HYTIBJVRLWWMOH-HDICACEKSA-N 1 1 568.534 4.964 50 0 KJAAMO CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CC[NH+]3C[C@@H](C)C[C@H](C)C3)ccc2OC)cc1Br ZINC000097981471 553994536 /nfs/dbraw/zinc/99/45/36/553994536.db2.gz HYTIBJVRLWWMOH-ROUUACIJSA-N 1 1 568.534 4.964 50 0 KJAAMO CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CC[NH+]3C[C@H](C)C[C@@H](C)C3)ccc2OC)cc1Br ZINC000097981472 553994413 /nfs/dbraw/zinc/99/44/13/553994413.db2.gz HYTIBJVRLWWMOH-QZTJIDSGSA-N 1 1 568.534 4.964 50 0 KJAAMO CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CC[NH2+]C3CCCCC3)ccc2OC)cc1Br ZINC000097982613 554004004 /nfs/dbraw/zinc/00/40/04/554004004.db2.gz KUXJHUIQAFJWLO-UHFFFAOYSA-N 1 1 554.507 4.908 50 0 KJAAMO CC(=O)n1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@]3(C(=O)OCc4ccccc4)CCC[N@@H+]23)c2ccccc21 ZINC000098007962 554065078 /nfs/dbraw/zinc/06/50/78/554065078.db2.gz NFUKRLRCVZFCOA-VGBJTSDXSA-N 1 1 547.611 4.740 50 0 KJAAMO CC(=O)n1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@]3(C(=O)OCc4ccccc4)CCC[N@H+]23)c2ccccc21 ZINC000098007962 554065076 /nfs/dbraw/zinc/06/50/76/554065076.db2.gz NFUKRLRCVZFCOA-VGBJTSDXSA-N 1 1 547.611 4.740 50 0 KJAAMO COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000098009079 554069307 /nfs/dbraw/zinc/06/93/07/554069307.db2.gz TVMZRSGJEGXXSE-QHCPKHFHSA-N 1 1 566.651 4.771 50 0 KJAAMO COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000098009080 554069380 /nfs/dbraw/zinc/06/93/80/554069380.db2.gz TVMZRSGJEGXXSE-HSZRJFAPSA-N 1 1 566.651 4.771 50 0 KJAAMO O=C(c1ccc(C(F)(F)F)cc1)N(CCC[NH+]1CCOCC1)CCc1nc(-c2ccc(Br)cc2)no1 ZINC000098009766 554071016 /nfs/dbraw/zinc/07/10/16/554071016.db2.gz HXMWLWSYHMHHPM-UHFFFAOYSA-N 1 1 567.406 4.925 50 0 KJAAMO COc1ccc(-c2nc3ccccc3c(N(CCC[NH+]3CCOCC3)CCC(=O)NCc3ccccc3)n2)cc1 ZINC000098009812 554071463 /nfs/dbraw/zinc/07/14/63/554071463.db2.gz CUFQCSBRVPTENR-UHFFFAOYSA-N 1 1 539.680 4.541 50 0 KJAAMO CC(C)NC(=O)CCN(CCC[NH+]1CCOCC1)c1nc(-c2cccc(Br)c2)nc2ccccc21 ZINC000098009821 554071421 /nfs/dbraw/zinc/07/14/21/554071421.db2.gz NBAHEAIVIUTZEG-UHFFFAOYSA-N 1 1 540.506 4.503 50 0 KJAAMO COc1ccc(NC(=O)CCN(CCC[NH+]2CCOCC2)c2nc(-c3ccc(OC)cc3)nc3ccccc32)cc1 ZINC000098009826 554071287 /nfs/dbraw/zinc/07/12/87/554071287.db2.gz KWJSUXKHGZEKTL-UHFFFAOYSA-N 1 1 555.679 4.872 50 0 KJAAMO COc1ccc(-c2nc3ccccc3c(N(CCC[NH+]3CCOCC3)CCC(=O)N3CCN(c4ccccc4F)CC3)n2)cc1 ZINC000098009830 554071676 /nfs/dbraw/zinc/07/16/76/554071676.db2.gz CNLCUCFBOZKIFA-UHFFFAOYSA-N 1 1 612.750 4.712 50 0 KJAAMO O=C(CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccccc2Cl)nc2ccccc21)NCc1ccco1 ZINC000098009841 554071576 /nfs/dbraw/zinc/07/15/76/554071576.db2.gz ZFDDOGQXVWWLFE-UHFFFAOYSA-N 1 1 534.060 4.778 50 0 KJAAMO O=C(CCN(CCC[NH+]1CCOCC1)c1nc(-c2cccs2)nc2ccccc21)N1CCN(c2ccccc2F)CC1 ZINC000098009856 554071727 /nfs/dbraw/zinc/07/17/27/554071727.db2.gz UHOKUGBARYKWFA-UHFFFAOYSA-N 1 1 588.753 4.765 50 0 KJAAMO O=C(c1ccc(CSc2nc(-c3ccccc3)cc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n2)o1)N1CCOCC1 ZINC000098015136 554096193 /nfs/dbraw/zinc/09/61/93/554096193.db2.gz KXIAKYGULYBQIF-UHFFFAOYSA-N 1 1 599.713 4.552 50 0 KJAAMO Cc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc(SCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)n1 ZINC000098015218 554096835 /nfs/dbraw/zinc/09/68/35/554096835.db2.gz NNXRSDYUTNWJGF-UHFFFAOYSA-N 1 1 570.685 4.810 50 0 KJAAMO Cc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc(SCc2cccc(C(=O)N3CC[NH+](C)CC3)c2)n1 ZINC000098015229 554097244 /nfs/dbraw/zinc/09/72/44/554097244.db2.gz TVQIQMSEVPEYMO-UHFFFAOYSA-N 1 1 570.685 4.810 50 0 KJAAMO COc1ccc(-n2ncc(Oc3ccc(Cl)cc3)c(Nc3cccc(C(=O)N4CC[NH+](C)CC4)c3)c2=O)cc1 ZINC000098015392 554098798 /nfs/dbraw/zinc/09/87/98/554098798.db2.gz SVNBDJKYISODCK-UHFFFAOYSA-N 1 1 546.027 4.818 50 0 KJAAMO Cc1nc(SCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)nc(N2CCN(c3ccccc3Cl)CC2)c1C ZINC000098015419 554099295 /nfs/dbraw/zinc/09/92/95/554099295.db2.gz YDGPKUDYWJMAFD-UHFFFAOYSA-N 1 1 551.160 4.753 50 0 KJAAMO CC[NH+]1CCN(C(=O)c2cccc(Nc3c(Oc4ccc5c(c4)OCO5)cnn(-c4ccc(C)cc4)c3=O)c2)CC1 ZINC000098015428 554099171 /nfs/dbraw/zinc/09/91/71/554099171.db2.gz NRYQCVDEBDHKDZ-UHFFFAOYSA-N 1 1 553.619 4.583 50 0 KJAAMO C[NH+]1CCN(C(=O)c2cccc(Nc3c(Oc4ccc5c(c4)OCO5)cnn(-c4cccc(Cl)c4)c3=O)c2)CC1 ZINC000098015470 554099442 /nfs/dbraw/zinc/09/94/42/554099442.db2.gz GTDHFEVJGQTEIW-UHFFFAOYSA-N 1 1 560.010 4.538 50 0 KJAAMO COc1ccc(-n2ncc(Oc3ccc4c(c3)CCC4)c(Nc3cccc(C(=O)N4CC[NH+](C)CC4)c3)c2=O)cc1 ZINC000098015582 554100627 /nfs/dbraw/zinc/10/06/27/554100627.db2.gz CJNPNVSWPCLLNC-UHFFFAOYSA-N 1 1 551.647 4.653 50 0 KJAAMO COc1ccc(-n2ncc(Oc3ccc4c(c3)CCC4)c(Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)c2=O)cc1 ZINC000098015597 554100975 /nfs/dbraw/zinc/10/09/75/554100975.db2.gz ZBWYARAYOOIYMD-UHFFFAOYSA-N 1 1 551.647 4.653 50 0 KJAAMO CCCCc1ccc(C(=O)N(CCC[NH+]2CCOCC2)CC(=O)N(Cc2ccco2)Cc2ccc3c(c2)OCO3)cc1 ZINC000098017840 554110536 /nfs/dbraw/zinc/11/05/36/554110536.db2.gz UGDKCANZZQIMPH-UHFFFAOYSA-N 1 1 575.706 4.744 50 0 KJAAMO O=C(CN(CCC[NH+]1CCOCC1)C(=O)c1cccc(C(F)(F)F)c1)N(Cc1ccco1)Cc1ccccc1 ZINC000098017904 554111093 /nfs/dbraw/zinc/11/10/93/554111093.db2.gz JJTHKBRSDAAJJL-UHFFFAOYSA-N 1 1 543.586 4.692 50 0 KJAAMO O=C(CN(CCC[NH+]1CCOCC1)C(=O)c1cc(Cl)cc(Cl)c1)N(Cc1ccco1)Cc1ccccc1 ZINC000098017908 554111131 /nfs/dbraw/zinc/11/11/31/554111131.db2.gz QUAMDNOAHILLNU-UHFFFAOYSA-N 1 1 544.479 4.980 50 0 KJAAMO CCCCOc1ccc(C(=O)N(CCC[NH+]2CCOCC2)CC(=O)N(Cc2ccco2)Cc2ccccc2)cc1 ZINC000098017920 554111114 /nfs/dbraw/zinc/11/11/14/554111114.db2.gz MNAQMGVTRCYIIP-UHFFFAOYSA-N 1 1 547.696 4.852 50 0 KJAAMO O=C(CN(CCC[NH+]1CCOCC1)C(=O)c1ccc(Cl)c(Cl)c1)N(Cc1ccco1)Cc1ccc2c(c1)OCO2 ZINC000098017950 554111330 /nfs/dbraw/zinc/11/13/30/554111330.db2.gz HBCPSYVRCPUEFY-UHFFFAOYSA-N 1 1 588.488 4.709 50 0 KJAAMO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000098019827 554114676 /nfs/dbraw/zinc/11/46/76/554114676.db2.gz GCGIGGXOPCMRNP-UHFFFAOYSA-N 1 1 597.778 4.662 50 0 KJAAMO CC(C)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)CC(=O)N1CCOCC1 ZINC000098020071 554116469 /nfs/dbraw/zinc/11/64/69/554116469.db2.gz CLRLBDXDFPVAAA-UHFFFAOYSA-N 1 1 559.538 4.863 50 0 KJAAMO CC(C)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)CC(=O)N1CCOCC1 ZINC000098020071 554116466 /nfs/dbraw/zinc/11/64/66/554116466.db2.gz CLRLBDXDFPVAAA-UHFFFAOYSA-N 1 1 559.538 4.863 50 0 KJAAMO CCOC(=O)C1=C(C)N(CC(=O)NCCC[N@H+]2CCCC[C@@H]2C)C(=O)C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000098022843 554119519 /nfs/dbraw/zinc/11/95/19/554119519.db2.gz ZHYYLFHJKMOQOJ-PWUYWRBVSA-N 1 1 561.723 4.799 50 0 KJAAMO CCOC(=O)C1=C(C)N(CC(=O)NCCC[N@H+]2CCCC[C@@H]2C)C(=O)C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000098022844 554119504 /nfs/dbraw/zinc/11/95/04/554119504.db2.gz ZHYYLFHJKMOQOJ-OUTSHDOLSA-N 1 1 561.723 4.799 50 0 KJAAMO Cc1[nH+]ccn1C[C@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000098023100 554120325 /nfs/dbraw/zinc/12/03/25/554120325.db2.gz JHXSDBGLEQNHFC-HNNXBMFYSA-N 1 1 557.173 4.570 50 0 KJAAMO Cc1[nH+]ccn1C[C@@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000098023102 554120275 /nfs/dbraw/zinc/12/02/75/554120275.db2.gz JHXSDBGLEQNHFC-OAHLLOKOSA-N 1 1 557.173 4.570 50 0 KJAAMO Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(C[NH+]4CCOCC4)cc3)cc3c2cnn3C2CCCC2)c(=O)[nH]1 ZINC000098043813 554128956 /nfs/dbraw/zinc/12/89/56/554128956.db2.gz ZOIBZSZLMJDVDQ-UHFFFAOYSA-N 1 1 539.680 4.886 50 0 in-vitro KJAAMO O=C1C[C@H](N2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccc(N2C(=O)C[C@H]([NH+]3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000098044502 554128975 /nfs/dbraw/zinc/12/89/75/554128975.db2.gz POTHIAUAXXFKSJ-HEVIKAOCSA-N 1 1 618.778 4.860 50 0 KJAAMO O=C(c1cc(S(=O)(=O)N2CCCC2)c(Cl)cc1Cl)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000098045982 554134982 /nfs/dbraw/zinc/13/49/82/554134982.db2.gz ZGJDKQRNBWCBOD-UHFFFAOYSA-N 1 1 532.493 4.889 50 0 KJAAMO O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000100250749 554262373 /nfs/dbraw/zinc/26/23/73/554262373.db2.gz YTAABPGORRTTNR-UHFFFAOYSA-N 1 1 532.493 4.529 50 0 KJAAMO CCN(c1cc(-c2ccc(C[NH+]3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000100285161 554279195 /nfs/dbraw/zinc/27/91/95/554279195.db2.gz NSQSAUGJQHDYNO-UHFFFAOYSA-N 1 1 572.750 4.735 50 0 investigational KJAAMO C[C@@H]1C[C@H](C)CN(CCS(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)CC[N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)cc2)C1 ZINC000100578980 554424374 /nfs/dbraw/zinc/42/43/74/554424374.db2.gz XKKAUSKWRNFREM-POYMRFPPSA-N 1 1 576.825 4.982 50 0 KJAAMO C[C@@H]1C[C@H](C)CN(CCS(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)CC[N@H+]4C[C@H](C)C[C@H](C)C4)cc3)cc2)C1 ZINC000100578980 554424367 /nfs/dbraw/zinc/42/43/67/554424367.db2.gz XKKAUSKWRNFREM-POYMRFPPSA-N 1 1 576.825 4.982 50 0 KJAAMO O=C(NCCC[NH+]1CCOCC1)/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)NC(=O)c1ccccc1 ZINC000100728184 554458428 /nfs/dbraw/zinc/45/84/28/554458428.db2.gz FLJKZWMVMUVBKQ-MOHJPFBDSA-N 1 1 528.436 4.863 50 0 KJAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)sc2c1CC[N@H+](C(C)C)C2 ZINC000100817692 554477994 /nfs/dbraw/zinc/47/79/94/554477994.db2.gz WKWZASJKBFPOLF-OALUTQOASA-N 1 1 547.743 4.610 50 0 KJAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000100817692 554477989 /nfs/dbraw/zinc/47/79/89/554477989.db2.gz WKWZASJKBFPOLF-OALUTQOASA-N 1 1 547.743 4.610 50 0 KJAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)sc2c1CC[N@H+](C(C)C)C2 ZINC000100817695 554478063 /nfs/dbraw/zinc/47/80/63/554478063.db2.gz WKWZASJKBFPOLF-RTBURBONSA-N 1 1 547.743 4.610 50 0 KJAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000100817695 554478060 /nfs/dbraw/zinc/47/80/60/554478060.db2.gz WKWZASJKBFPOLF-RTBURBONSA-N 1 1 547.743 4.610 50 0 KJAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000100818105 554478521 /nfs/dbraw/zinc/47/85/21/554478521.db2.gz ZHUMGZZBKUVOOV-UHFFFAOYSA-N 1 1 568.746 4.676 50 0 KJAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000100818105 554478520 /nfs/dbraw/zinc/47/85/20/554478520.db2.gz ZHUMGZZBKUVOOV-UHFFFAOYSA-N 1 1 568.746 4.676 50 0 KJAAMO CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CC[N@H+](C)C4)cc2)CC1 ZINC000100818134 554478429 /nfs/dbraw/zinc/47/84/29/554478429.db2.gz KMJHAJQYFYDERS-UHFFFAOYSA-N 1 1 625.798 4.728 50 0 KJAAMO CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CC[N@@H+](C)C4)cc2)CC1 ZINC000100818134 554478426 /nfs/dbraw/zinc/47/84/26/554478426.db2.gz KMJHAJQYFYDERS-UHFFFAOYSA-N 1 1 625.798 4.728 50 0 KJAAMO O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000100832663 554482844 /nfs/dbraw/zinc/48/28/44/554482844.db2.gz BISAJBMTDUXRBX-YXYCRFMBSA-N 1 1 593.768 4.961 50 0 KJAAMO O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000100832665 554482850 /nfs/dbraw/zinc/48/28/50/554482850.db2.gz BISAJBMTDUXRBX-CVGMVULCSA-N 1 1 593.768 4.961 50 0 KJAAMO CC[NH+]1CCN(C(=O)c2csc(CSc3nnc(-c4ccncc4)n3-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000100891167 554511983 /nfs/dbraw/zinc/51/19/83/554511983.db2.gz JOQMITQHONKEEP-UHFFFAOYSA-N 1 1 559.643 4.875 50 0 KJAAMO O=C(CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(Cl)cc1)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000100915591 554519740 /nfs/dbraw/zinc/51/97/40/554519740.db2.gz YGXNPVCMODFBPA-AREMUKBSSA-N 1 1 592.158 4.832 50 0 KJAAMO O=C(CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(Cl)cc1)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000100915592 554519716 /nfs/dbraw/zinc/51/97/16/554519716.db2.gz YGXNPVCMODFBPA-SANMLTNESA-N 1 1 592.158 4.832 50 0 KJAAMO CCOc1ccc(Br)cc1S(=O)(=O)N1CCN(c2nc(Nc3ccc(C)cc3)cc(C)[nH+]2)CC1 ZINC000100956867 554539874 /nfs/dbraw/zinc/53/98/74/554539874.db2.gz DMSFEYIMVBIBOW-UHFFFAOYSA-N 1 1 546.491 4.509 50 0 KJAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4ccc(Oc5ccccc5)cc4)CC3)n2)cc1 ZINC000100956893 554539858 /nfs/dbraw/zinc/53/98/58/554539858.db2.gz UWHQUFGMZJYMMJ-UHFFFAOYSA-N 1 1 531.638 4.840 50 0 KJAAMO CCOC(=O)c1sc2nc(C[N@@H+](CC(C)C)C[C@H](O)COc3ccc(Cl)cc3)[nH]c(=O)c2c1C(C)C ZINC000101043938 554568169 /nfs/dbraw/zinc/56/81/69/554568169.db2.gz WPELDMNYQOCOPH-SFHVURJKSA-N 1 1 536.094 4.836 50 0 KJAAMO CCOC(=O)c1sc2nc(C[N@H+](CC(C)C)C[C@H](O)COc3ccc(Cl)cc3)[nH]c(=O)c2c1C(C)C ZINC000101043938 554568168 /nfs/dbraw/zinc/56/81/68/554568168.db2.gz WPELDMNYQOCOPH-SFHVURJKSA-N 1 1 536.094 4.836 50 0 KJAAMO CCOC(=O)c1sc2nc(C[N@@H+](CC(C)C)C[C@@H](O)COc3ccc(Cl)cc3)[nH]c(=O)c2c1C(C)C ZINC000101043942 554568149 /nfs/dbraw/zinc/56/81/49/554568149.db2.gz WPELDMNYQOCOPH-GOSISDBHSA-N 1 1 536.094 4.836 50 0 KJAAMO CCOC(=O)c1sc2nc(C[N@H+](CC(C)C)C[C@@H](O)COc3ccc(Cl)cc3)[nH]c(=O)c2c1C(C)C ZINC000101043942 554568147 /nfs/dbraw/zinc/56/81/47/554568147.db2.gz WPELDMNYQOCOPH-GOSISDBHSA-N 1 1 536.094 4.836 50 0 KJAAMO O=S(=O)(c1nnn2c1nc(NC1CC[NH+](Cc3ccccc3)CC1)c1ccccc12)c1ccc(Br)cc1 ZINC000101083321 554579817 /nfs/dbraw/zinc/57/98/17/554579817.db2.gz LJGBUEYKBGMOIG-UHFFFAOYSA-N 1 1 577.508 4.949 50 0 KJAAMO O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000101086994 554580904 /nfs/dbraw/zinc/58/09/04/554580904.db2.gz KSBUOAVGXJIOGO-KEZOAJOQSA-N 1 1 503.480 4.860 50 0 KJAAMO O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000101086994 554580902 /nfs/dbraw/zinc/58/09/02/554580902.db2.gz KSBUOAVGXJIOGO-KEZOAJOQSA-N 1 1 503.480 4.860 50 0 KJAAMO Cc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1C ZINC000101091126 554582155 /nfs/dbraw/zinc/58/21/55/554582155.db2.gz NFKOYNWAIWHZQI-HKBQPEDESA-N 1 1 606.565 4.587 50 0 KJAAMO Cc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1C ZINC000101091127 554582140 /nfs/dbraw/zinc/58/21/40/554582140.db2.gz NFKOYNWAIWHZQI-WJOKGBTCSA-N 1 1 606.565 4.587 50 0 KJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000101098535 554585405 /nfs/dbraw/zinc/58/54/05/554585405.db2.gz OJQMTASHYDGOCV-AREMUKBSSA-N 1 1 538.511 4.751 50 0 KJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000101098535 554585401 /nfs/dbraw/zinc/58/54/01/554585401.db2.gz OJQMTASHYDGOCV-AREMUKBSSA-N 1 1 538.511 4.751 50 0 KJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000101098537 554585394 /nfs/dbraw/zinc/58/53/94/554585394.db2.gz OJQMTASHYDGOCV-SANMLTNESA-N 1 1 538.511 4.751 50 0 KJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000101098537 554585391 /nfs/dbraw/zinc/58/53/91/554585391.db2.gz OJQMTASHYDGOCV-SANMLTNESA-N 1 1 538.511 4.751 50 0 KJAAMO C[C@H](NC(=O)COc1ccc(-c2ccc(F)cc2)cc1C[NH+]1CCN(c2ccccn2)CC1)c1nccs1 ZINC000101101103 554587682 /nfs/dbraw/zinc/58/76/82/554587682.db2.gz UJBSEKKNOIPIHH-NRFANRHFSA-N 1 1 531.657 4.923 50 0 KJAAMO C[C@@H](NC(=O)COc1ccc(-c2ccc(F)cc2)cc1C[NH+]1CCN(c2ccccn2)CC1)c1nccs1 ZINC000101101104 554587654 /nfs/dbraw/zinc/58/76/54/554587654.db2.gz UJBSEKKNOIPIHH-OAQYLSRUSA-N 1 1 531.657 4.923 50 0 KJAAMO O=C(COc1ccc(-c2ncccn2)cc1C[NH+]1CCN(c2ccccc2)CC1)NCCc1cccc(Cl)c1 ZINC000101104400 554639743 /nfs/dbraw/zinc/63/97/43/554639743.db2.gz BEFGGLAGZHSNBL-UHFFFAOYSA-N 1 1 542.083 4.857 50 0 KJAAMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000101111256 554641614 /nfs/dbraw/zinc/64/16/14/554641614.db2.gz FFCRDQXEULCJCN-NDBXHCKUSA-N 1 1 533.506 4.868 50 0 KJAAMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000101111256 554641613 /nfs/dbraw/zinc/64/16/13/554641613.db2.gz FFCRDQXEULCJCN-NDBXHCKUSA-N 1 1 533.506 4.868 50 0 KJAAMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000101111258 554641678 /nfs/dbraw/zinc/64/16/78/554641678.db2.gz FFCRDQXEULCJCN-LIONHTAISA-N 1 1 533.506 4.868 50 0 KJAAMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000101111258 554641677 /nfs/dbraw/zinc/64/16/77/554641677.db2.gz FFCRDQXEULCJCN-LIONHTAISA-N 1 1 533.506 4.868 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000101142896 554655050 /nfs/dbraw/zinc/65/50/50/554655050.db2.gz JLXVOHCEACNGOK-KIHHCIJBSA-N 1 1 521.470 4.999 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000101142896 554655048 /nfs/dbraw/zinc/65/50/48/554655048.db2.gz JLXVOHCEACNGOK-KIHHCIJBSA-N 1 1 521.470 4.999 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000101142903 554654980 /nfs/dbraw/zinc/65/49/80/554654980.db2.gz JLXVOHCEACNGOK-KEZOAJOQSA-N 1 1 521.470 4.999 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000101142903 554654977 /nfs/dbraw/zinc/65/49/77/554654977.db2.gz JLXVOHCEACNGOK-KEZOAJOQSA-N 1 1 521.470 4.999 50 0 KJAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000101182685 554668213 /nfs/dbraw/zinc/66/82/13/554668213.db2.gz DMXMMMPKGRBCHA-LIONHTAISA-N 1 1 533.506 4.868 50 0 KJAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000101182685 554668209 /nfs/dbraw/zinc/66/82/09/554668209.db2.gz DMXMMMPKGRBCHA-LIONHTAISA-N 1 1 533.506 4.868 50 0 KJAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000101182690 554668149 /nfs/dbraw/zinc/66/81/49/554668149.db2.gz DMXMMMPKGRBCHA-NDBXHCKUSA-N 1 1 533.506 4.868 50 0 KJAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000101182690 554668145 /nfs/dbraw/zinc/66/81/45/554668145.db2.gz DMXMMMPKGRBCHA-NDBXHCKUSA-N 1 1 533.506 4.868 50 0 KJAAMO Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)cc12 ZINC000101192484 554670986 /nfs/dbraw/zinc/67/09/86/554670986.db2.gz MZHGSOLZEXSQGC-UHFFFAOYSA-N 1 1 560.718 4.720 50 0 KJAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000101194484 554671835 /nfs/dbraw/zinc/67/18/35/554671835.db2.gz OPAFFMVFAQXOMY-XQNUDUSMSA-N 1 1 524.326 4.752 50 0 KJAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000101194484 554671833 /nfs/dbraw/zinc/67/18/33/554671833.db2.gz OPAFFMVFAQXOMY-XQNUDUSMSA-N 1 1 524.326 4.752 50 0 KJAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101202933 554673460 /nfs/dbraw/zinc/67/34/60/554673460.db2.gz VLKSAKVGBZCEKP-URAJONJJSA-N 1 1 591.580 4.653 50 0 biogenic KJAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101202937 554673436 /nfs/dbraw/zinc/67/34/36/554673436.db2.gz VLKSAKVGBZCEKP-SJNNHYBDSA-N 1 1 591.580 4.653 50 0 biogenic KJAAMO CCCC[N@@H+](C)CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101205636 554675659 /nfs/dbraw/zinc/67/56/59/554675659.db2.gz YJMCQCAQVHBOMO-SRILOVTHSA-N 1 1 600.760 4.749 50 0 biogenic KJAAMO CCCC[N@@H+](C)CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101205640 554675645 /nfs/dbraw/zinc/67/56/45/554675645.db2.gz YJMCQCAQVHBOMO-ZLMQMPPYSA-N 1 1 600.760 4.749 50 0 biogenic KJAAMO C[N@@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101205971 554675776 /nfs/dbraw/zinc/67/57/76/554675776.db2.gz KFDGOINRGGKHRC-AXGKCNHXSA-N 1 1 635.603 4.509 50 0 biogenic KJAAMO C[N@@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101205973 554675758 /nfs/dbraw/zinc/67/57/58/554675758.db2.gz KFDGOINRGGKHRC-BIRRFFDLSA-N 1 1 635.603 4.509 50 0 biogenic KJAAMO CC[N@@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101207973 554677389 /nfs/dbraw/zinc/67/73/89/554677389.db2.gz CXLZZGWVYHPGLK-SRILOVTHSA-N 1 1 616.828 4.859 50 0 biogenic KJAAMO CC[N@@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101207976 554677409 /nfs/dbraw/zinc/67/74/09/554677409.db2.gz CXLZZGWVYHPGLK-ZLMQMPPYSA-N 1 1 616.828 4.859 50 0 biogenic KJAAMO CC[C@@H]1CCCC[N@H+]1CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101208501 554677723 /nfs/dbraw/zinc/67/77/23/554677723.db2.gz OZEFJHJIZICZPC-MKYXBXGFSA-N 1 1 576.782 4.613 50 0 biogenic KJAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000101213239 554680503 /nfs/dbraw/zinc/68/05/03/554680503.db2.gz DOBHVABSGZTJFD-DDOIHHOZSA-N 1 1 524.326 4.752 50 0 KJAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000101213239 554680500 /nfs/dbraw/zinc/68/05/00/554680500.db2.gz DOBHVABSGZTJFD-DDOIHHOZSA-N 1 1 524.326 4.752 50 0 KJAAMO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCC[NH+]2CCN(CC)CC2)cc1 ZINC000101216181 554682912 /nfs/dbraw/zinc/68/29/12/554682912.db2.gz GRTDYHLCRFHOFH-HHHXNRCGSA-N 1 1 583.824 4.556 50 0 KJAAMO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCC[NH+]2CCN(CC)CC2)cc1 ZINC000101216183 554682920 /nfs/dbraw/zinc/68/29/20/554682920.db2.gz GRTDYHLCRFHOFH-MHZLTWQESA-N 1 1 583.824 4.556 50 0 KJAAMO COc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCN(C(=O)COc2ccccc2F)CC1 ZINC000101216601 554684175 /nfs/dbraw/zinc/68/41/75/554684175.db2.gz CQLVJICGDKSETN-UHFFFAOYSA-N 1 1 537.595 4.963 50 0 KJAAMO COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101216613 554684312 /nfs/dbraw/zinc/68/43/12/554684312.db2.gz VCKAKQGZASCJPI-GDLZYMKVSA-N 1 1 634.202 4.665 50 0 KJAAMO COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101216618 554684344 /nfs/dbraw/zinc/68/43/44/554684344.db2.gz VCKAKQGZASCJPI-LJAQVGFWSA-N 1 1 634.202 4.665 50 0 KJAAMO CN1CC[NH+](CCCN2C(=S)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000101216717 554684591 /nfs/dbraw/zinc/68/45/91/554684591.db2.gz CLACWCHSGCTKGF-JOCHJYFZSA-N 1 1 568.958 4.615 50 0 KJAAMO CN1CC[NH+](CCCN2C(=S)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000101216719 554684514 /nfs/dbraw/zinc/68/45/14/554684514.db2.gz CLACWCHSGCTKGF-QFIPXVFZSA-N 1 1 568.958 4.615 50 0 KJAAMO Cc1cnn(CC[NH+](Cc2cccc(C(=O)NCc3ccco3)c2)Cc2cccc(C(=O)NCc3ccco3)c2)c1 ZINC000101231203 554689505 /nfs/dbraw/zinc/68/95/05/554689505.db2.gz CEGFWRNRRAQNLG-UHFFFAOYSA-N 1 1 551.647 4.940 50 0 KJAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)[C@]2(O)c3cc(Br)ccc3NC(=O)N2c2ccc(Cl)cc2)C1 ZINC000101233204 554689582 /nfs/dbraw/zinc/68/95/82/554689582.db2.gz FXNCDJMGUBLBPL-VOIUYBSRSA-N 1 1 535.870 4.538 50 0 KJAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)[C@]2(O)c3cc(Br)ccc3NC(=O)N2c2ccc(Cl)cc2)C1 ZINC000101233208 554689673 /nfs/dbraw/zinc/68/96/73/554689673.db2.gz FXNCDJMGUBLBPL-UPCLLVRISA-N 1 1 535.870 4.538 50 0 KJAAMO COc1cc(CN2C(=O)c3cccc(N4CC[NH+](Cc5ccc(OC(F)(F)F)cc5)CC4)c3C2=O)cc(OC)c1OC ZINC000101246439 554693594 /nfs/dbraw/zinc/69/35/94/554693594.db2.gz QTXCAGSGHSZYBN-UHFFFAOYSA-N 1 1 585.579 4.729 50 0 KJAAMO O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1CCC[NH+]1CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000101254850 554695897 /nfs/dbraw/zinc/69/58/97/554695897.db2.gz SMORIIBAWLRQSS-MUUNZHRXSA-N 1 1 576.166 4.879 50 0 KJAAMO O=C(C[C@H]1C(=O)N(c2ccccc2)C(=S)N1CCC[NH+]1CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000101254852 554695934 /nfs/dbraw/zinc/69/59/34/554695934.db2.gz SMORIIBAWLRQSS-NDEPHWFRSA-N 1 1 576.166 4.879 50 0 KJAAMO COc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(Cc4ccccc4)CC3)C2=S)c1 ZINC000101254882 554695852 /nfs/dbraw/zinc/69/58/52/554695852.db2.gz YRTUCDMFJYGNJW-LJAQVGFWSA-N 1 1 606.192 4.887 50 0 KJAAMO COc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(Cc4ccccc4)CC3)C2=S)c1 ZINC000101254885 554695925 /nfs/dbraw/zinc/69/59/25/554695925.db2.gz YRTUCDMFJYGNJW-GDLZYMKVSA-N 1 1 606.192 4.887 50 0 KJAAMO CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCC[NH+]3CCN(Cc4ccccc4)CC3)C2=S)cc1 ZINC000101255004 554696200 /nfs/dbraw/zinc/69/62/00/554696200.db2.gz DSTHUGXCMZUNLO-HKBQPEDESA-N 1 1 615.800 4.633 50 0 KJAAMO CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CCC[NH+]3CCN(Cc4ccccc4)CC3)C2=S)cc1 ZINC000101255008 554696182 /nfs/dbraw/zinc/69/61/82/554696182.db2.gz DSTHUGXCMZUNLO-WJOKGBTCSA-N 1 1 615.800 4.633 50 0 KJAAMO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101255012 554696175 /nfs/dbraw/zinc/69/61/75/554696175.db2.gz UMZNHOBMACATAB-PMERELPUSA-N 1 1 585.774 4.542 50 0 KJAAMO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101255015 554696229 /nfs/dbraw/zinc/69/62/29/554696229.db2.gz UMZNHOBMACATAB-SSEXGKCCSA-N 1 1 585.774 4.542 50 0 KJAAMO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101255029 554696159 /nfs/dbraw/zinc/69/61/59/554696159.db2.gz ZSIDPFQBBVNYGG-GDLZYMKVSA-N 1 1 606.192 4.887 50 0 KJAAMO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101255033 554696107 /nfs/dbraw/zinc/69/61/07/554696107.db2.gz 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ZINC000101340950 554735449 /nfs/dbraw/zinc/73/54/49/554735449.db2.gz GNYVPMWIYNOREY-PMERELPUSA-N 1 1 563.720 4.911 50 0 KJAAMO O=C(CC[N@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000101340953 554735231 /nfs/dbraw/zinc/73/52/31/554735231.db2.gz GNYVPMWIYNOREY-SSEXGKCCSA-N 1 1 563.720 4.911 50 0 KJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000101340972 554735347 /nfs/dbraw/zinc/73/53/47/554735347.db2.gz SFSHDUFWMWEENB-LYZGTLIUSA-N 1 1 558.169 4.969 50 0 KJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000101340974 554735457 /nfs/dbraw/zinc/73/54/57/554735457.db2.gz SFSHDUFWMWEENB-PIKZIKFNSA-N 1 1 558.169 4.969 50 0 KJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341043 554735390 /nfs/dbraw/zinc/73/53/90/554735390.db2.gz RZKGZAIUXHYULW-RXFWQSSRSA-N 1 1 544.142 4.579 50 0 KJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341046 554735373 /nfs/dbraw/zinc/73/53/73/554735373.db2.gz RZKGZAIUXHYULW-FNZWTVRRSA-N 1 1 544.142 4.579 50 0 KJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341067 554735257 /nfs/dbraw/zinc/73/52/57/554735257.db2.gz OGLOYWRHCATQHZ-MUUNZHRXSA-N 1 1 558.169 4.971 50 0 KJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341070 554735279 /nfs/dbraw/zinc/73/52/79/554735279.db2.gz OGLOYWRHCATQHZ-NDEPHWFRSA-N 1 1 558.169 4.971 50 0 KJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341076 554735363 /nfs/dbraw/zinc/73/53/63/554735363.db2.gz KUYMYAXDHLLKHV-HHHXNRCGSA-N 1 1 544.142 4.581 50 0 KJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341080 554735266 /nfs/dbraw/zinc/73/52/66/554735266.db2.gz KUYMYAXDHLLKHV-MHZLTWQESA-N 1 1 544.142 4.581 50 0 KJAAMO O=C(CC[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341150 554735700 /nfs/dbraw/zinc/73/57/00/554735700.db2.gz GBGFMSOPROSQRR-HHHXNRCGSA-N 1 1 544.142 4.662 50 0 KJAAMO O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341151 554735617 /nfs/dbraw/zinc/73/56/17/554735617.db2.gz GBGFMSOPROSQRR-MHZLTWQESA-N 1 1 544.142 4.662 50 0 KJAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](C)C2)cc1 ZINC000101341259 554735519 /nfs/dbraw/zinc/73/55/19/554735519.db2.gz LIHAPFGHEHDVAF-NFQMXDRXSA-N 1 1 544.142 4.579 50 0 KJAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](C)C2)cc1 ZINC000101341259 554735518 /nfs/dbraw/zinc/73/55/18/554735518.db2.gz LIHAPFGHEHDVAF-NFQMXDRXSA-N 1 1 544.142 4.579 50 0 KJAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](C)C2)cc1 ZINC000101341260 554735693 /nfs/dbraw/zinc/73/56/93/554735693.db2.gz LIHAPFGHEHDVAF-HRFSGMKKSA-N 1 1 544.142 4.579 50 0 KJAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](C)C2)cc1 ZINC000101341260 554735689 /nfs/dbraw/zinc/73/56/89/554735689.db2.gz LIHAPFGHEHDVAF-HRFSGMKKSA-N 1 1 544.142 4.579 50 0 KJAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000101341486 554735530 /nfs/dbraw/zinc/73/55/30/554735530.db2.gz MEKPHYJMPOQCOE-WINIVTDRSA-N 1 1 562.132 4.800 50 0 KJAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000101341488 554735733 /nfs/dbraw/zinc/73/57/33/554735733.db2.gz MEKPHYJMPOQCOE-PPHZAIPVSA-N 1 1 562.132 4.800 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000101343684 554736357 /nfs/dbraw/zinc/73/63/57/554736357.db2.gz ABVCTJBTGVEOCP-LWSSLDFYSA-N 1 1 503.480 4.860 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000101343684 554736355 /nfs/dbraw/zinc/73/63/55/554736355.db2.gz ABVCTJBTGVEOCP-LWSSLDFYSA-N 1 1 503.480 4.860 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000101343685 554736284 /nfs/dbraw/zinc/73/62/84/554736284.db2.gz ABVCTJBTGVEOCP-YCAMKHIRSA-N 1 1 503.480 4.860 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000101343685 554736282 /nfs/dbraw/zinc/73/62/82/554736282.db2.gz ABVCTJBTGVEOCP-YCAMKHIRSA-N 1 1 503.480 4.860 50 0 KJAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101344097 554736616 /nfs/dbraw/zinc/73/66/16/554736616.db2.gz DOBHVABSGZTJFD-ZHSNQQFMSA-N 1 1 524.326 4.752 50 0 KJAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101344097 554736614 /nfs/dbraw/zinc/73/66/14/554736614.db2.gz DOBHVABSGZTJFD-ZHSNQQFMSA-N 1 1 524.326 4.752 50 0 KJAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101344367 554736637 /nfs/dbraw/zinc/73/66/37/554736637.db2.gz OPAFFMVFAQXOMY-VGHKVXAASA-N 1 1 524.326 4.752 50 0 KJAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101344367 554736634 /nfs/dbraw/zinc/73/66/34/554736634.db2.gz OPAFFMVFAQXOMY-VGHKVXAASA-N 1 1 524.326 4.752 50 0 KJAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)NCCc2ccccn2)CC1 ZINC000101346036 554737404 /nfs/dbraw/zinc/73/74/04/554737404.db2.gz UQORDMPWGRRQIY-BHBYDHKZSA-N 1 1 576.185 4.895 50 0 KJAAMO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)NCCc2ccccn2)CC1 ZINC000101346036 554737403 /nfs/dbraw/zinc/73/74/03/554737403.db2.gz UQORDMPWGRRQIY-BHBYDHKZSA-N 1 1 576.185 4.895 50 0 KJAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2CCC(=O)NC2CCCCCC2)CC1 ZINC000101346083 554737393 /nfs/dbraw/zinc/73/73/93/554737393.db2.gz QEPBYKCAQPUTFQ-LITSAYRRSA-N 1 1 533.761 4.722 50 0 KJAAMO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2CCC(=O)NC2CCCCCC2)CC1 ZINC000101346083 554737390 /nfs/dbraw/zinc/73/73/90/554737390.db2.gz QEPBYKCAQPUTFQ-LITSAYRRSA-N 1 1 533.761 4.722 50 0 KJAAMO CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N1CC2 ZINC000101352159 554738500 /nfs/dbraw/zinc/73/85/00/554738500.db2.gz WKVORRJFRTYPPX-ROJLCIKYSA-N 1 1 603.163 4.913 50 0 KJAAMO CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N1CC2 ZINC000101352162 554738526 /nfs/dbraw/zinc/73/85/26/554738526.db2.gz WKVORRJFRTYPPX-ZWXJPIIXSA-N 1 1 603.163 4.913 50 0 KJAAMO CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N1CC2 ZINC000101352164 554738462 /nfs/dbraw/zinc/73/84/62/554738462.db2.gz WKVORRJFRTYPPX-AJQTZOPKSA-N 1 1 603.163 4.913 50 0 KJAAMO CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N1CC2 ZINC000101352168 554738546 /nfs/dbraw/zinc/73/85/46/554738546.db2.gz WKVORRJFRTYPPX-ACHIHNKUSA-N 1 1 603.163 4.913 50 0 KJAAMO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000101356543 554740250 /nfs/dbraw/zinc/74/02/50/554740250.db2.gz FHODYBGIAYUNRR-HHHXNRCGSA-N 1 1 583.154 4.855 50 0 KJAAMO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000101356546 554740262 /nfs/dbraw/zinc/74/02/62/554740262.db2.gz FHODYBGIAYUNRR-MHZLTWQESA-N 1 1 583.154 4.855 50 0 KJAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000101372568 554744866 /nfs/dbraw/zinc/74/48/66/554744866.db2.gz GBLWOYKQXYSRTR-RRAHZORUSA-N 1 1 531.653 4.958 50 0 KJAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000101372767 554745178 /nfs/dbraw/zinc/74/51/78/554745178.db2.gz HNZISONJPMLKJB-RRAHZORUSA-N 1 1 531.653 4.958 50 0 KJAAMO COc1ccc(/C=C2\Sc3ccc(C(=O)NCCC[NH+]4CCN(c5ccccc5F)CC4)cc3N(C)C2=O)cc1 ZINC000101373131 554745075 /nfs/dbraw/zinc/74/50/75/554745075.db2.gz OFBFWRTWAWCRBG-BRPDVVIDSA-N 1 1 560.695 4.886 50 0 KJAAMO COc1ccccc1/C=C1/Sc2ccc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)cc2N(C)C1=O ZINC000101373299 554745067 /nfs/dbraw/zinc/74/50/67/554745067.db2.gz GIUUODWOUQNAER-XHLNEMQHSA-N 1 1 560.695 4.886 50 0 KJAAMO COc1ccc([C@@H]2C=C3c4cc(OC)c(OC)cc4CCN3C(=[NH2+])C2S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000101373888 554745522 /nfs/dbraw/zinc/74/55/22/554745522.db2.gz SCSBZEYROPRAQR-QHCPKHFHSA-N 1 1 539.053 4.964 50 0 KJAAMO COc1ccc([C@H]2C=C3c4cc(OC)c(OC)cc4CCN3C(=[NH2+])C2S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000101373893 554745517 /nfs/dbraw/zinc/74/55/17/554745517.db2.gz SCSBZEYROPRAQR-HSZRJFAPSA-N 1 1 539.053 4.964 50 0 KJAAMO COc1cccc([C@@H]2C=C3c4cc(OC)c(OC)cc4CCN3C(=[NH2+])C2S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000101378012 554747333 /nfs/dbraw/zinc/74/73/33/554747333.db2.gz GKNNJBWCFHREFR-QHCPKHFHSA-N 1 1 539.053 4.964 50 0 KJAAMO COc1cccc([C@H]2C=C3c4cc(OC)c(OC)cc4CCN3C(=[NH2+])C2S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000101378020 554747353 /nfs/dbraw/zinc/74/73/53/554747353.db2.gz GKNNJBWCFHREFR-HSZRJFAPSA-N 1 1 539.053 4.964 50 0 KJAAMO COc1cc(NC(=O)C(C)(C)N(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)C(=O)c2cc(OC)cc(OC)c2)cc(OC)c1 ZINC000101378458 554747511 /nfs/dbraw/zinc/74/75/11/554747511.db2.gz NNEKNKRPIKOYEZ-RBTNQOKQSA-N 1 1 553.700 4.845 50 0 KJAAMO COc1cc(NC(=O)C(C)(C)N(C[C@H]2CCC[N@H+]3CCCC[C@H]23)C(=O)c2cc(OC)cc(OC)c2)cc(OC)c1 ZINC000101378459 554747546 /nfs/dbraw/zinc/74/75/46/554747546.db2.gz NNEKNKRPIKOYEZ-LYZGTLIUSA-N 1 1 553.700 4.845 50 0 KJAAMO C[C@H](C(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000101410889 554763756 /nfs/dbraw/zinc/76/37/56/554763756.db2.gz PMTLXCAVSGYPCU-PZGXJGMVSA-N 1 1 564.702 4.937 50 0 KJAAMO C[C@@H](C(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000101410894 554763693 /nfs/dbraw/zinc/76/36/93/554763693.db2.gz PMTLXCAVSGYPCU-KPURRNSFSA-N 1 1 564.702 4.937 50 0 KJAAMO C[C@H](C(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000101410896 554763689 /nfs/dbraw/zinc/76/36/89/554763689.db2.gz PMTLXCAVSGYPCU-ZTOMLWHTSA-N 1 1 564.702 4.937 50 0 KJAAMO C[C@@H](C(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000101410897 554763663 /nfs/dbraw/zinc/76/36/63/554763663.db2.gz PMTLXCAVSGYPCU-MNNSJKJDSA-N 1 1 564.702 4.937 50 0 KJAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O ZINC000101416037 554764865 /nfs/dbraw/zinc/76/48/65/554764865.db2.gz PJYLVERCUXNWHK-UHFFFAOYSA-N 1 1 630.717 4.900 50 0 KJAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O ZINC000101416671 554765495 /nfs/dbraw/zinc/76/54/95/554765495.db2.gz MBRJMKQYNJCWCE-UHFFFAOYSA-N 1 1 612.727 4.761 50 0 KJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000101416973 554765954 /nfs/dbraw/zinc/76/59/54/554765954.db2.gz HBWHILHVWGBLDC-ZRZAMGCNSA-N 1 1 545.705 4.778 50 0 KJAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@H](C(=O)NCCCN2CCN(c3ccccc3F)CC2)C1 ZINC000101417366 554766217 /nfs/dbraw/zinc/76/62/17/554766217.db2.gz HUOSIUBRPLRZQH-DEOSSOPVSA-N 1 1 554.110 4.983 50 0 KJAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@@H](C(=O)NCCCN2CCN(c3ccccc3F)CC2)C1 ZINC000101417369 554766254 /nfs/dbraw/zinc/76/62/54/554766254.db2.gz HUOSIUBRPLRZQH-XMMPIXPASA-N 1 1 554.110 4.983 50 0 KJAAMO COc1ccccc1Oc1nc(N2CC[NH+](C)CC2)nc2c1CN(C(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000101422078 554767509 /nfs/dbraw/zinc/76/75/09/554767509.db2.gz SYDCXFBMTAJRPH-UHFFFAOYSA-N 1 1 528.440 4.535 50 0 KJAAMO Cc1cccc(N2CC[NH+](CCNC(=O)C3CCN(c4nc5ccccc5n4Cc4cccc(F)c4)CC3)CC2)c1C ZINC000101427639 554769218 /nfs/dbraw/zinc/76/92/18/554769218.db2.gz RBVMOMQHSVDLGQ-UHFFFAOYSA-N 1 1 568.741 4.995 50 0 KJAAMO Cc1cccc(N2CC[NH+](CCNC(=O)C3CCN(c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)CC2)c1C ZINC000101427869 554769413 /nfs/dbraw/zinc/76/94/13/554769413.db2.gz CFSHUIRTBNKJCM-UHFFFAOYSA-N 1 1 568.741 4.995 50 0 KJAAMO COc1ccc(-n2nc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000101440892 554773186 /nfs/dbraw/zinc/77/31/86/554773186.db2.gz CKCDGGICETVIPX-UHFFFAOYSA-N 1 1 544.055 4.791 50 0 KJAAMO COc1ccc(-n2nc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000101441156 554773322 /nfs/dbraw/zinc/77/33/22/554773322.db2.gz MQXXNSAJBQDIPV-UHFFFAOYSA-N 1 1 603.098 4.621 50 0 KJAAMO CCn1cc(C(=O)NCC[N@@H+](Cc2ccccc2)C(C)C)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000101447930 554774801 /nfs/dbraw/zinc/77/48/01/554774801.db2.gz RBSSKEJFFYAMSL-UHFFFAOYSA-N 1 1 566.768 4.615 50 0 KJAAMO Cc1cccc(CN2c3cc(C(=O)NCC[N@H+](C)CCc4ccccc4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000101456090 554777197 /nfs/dbraw/zinc/77/71/97/554777197.db2.gz PRXRVBLOIWCEMO-UHFFFAOYSA-N 1 1 567.711 4.893 50 0 KJAAMO Cc1cccc(CN2c3cc(C(=O)NCC[N@@H+](C)CCc4ccccc4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000101456090 554777196 /nfs/dbraw/zinc/77/71/96/554777196.db2.gz PRXRVBLOIWCEMO-UHFFFAOYSA-N 1 1 567.711 4.893 50 0 KJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000101456277 554777400 /nfs/dbraw/zinc/77/74/00/554777400.db2.gz WABOOBRTCQKTSW-JOCHJYFZSA-N 1 1 538.069 4.547 50 0 KJAAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000101456277 554777397 /nfs/dbraw/zinc/77/73/97/554777397.db2.gz WABOOBRTCQKTSW-JOCHJYFZSA-N 1 1 538.069 4.547 50 0 KJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000101456281 554777366 /nfs/dbraw/zinc/77/73/66/554777366.db2.gz WABOOBRTCQKTSW-QFIPXVFZSA-N 1 1 538.069 4.547 50 0 KJAAMO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000101456281 554777362 /nfs/dbraw/zinc/77/73/62/554777362.db2.gz WABOOBRTCQKTSW-QFIPXVFZSA-N 1 1 538.069 4.547 50 0 KJAAMO O=C(NCC[NH+]1CCCCCC1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000101456327 554777385 /nfs/dbraw/zinc/77/73/85/554777385.db2.gz AHDAFPMWXRIYDL-UHFFFAOYSA-N 1 1 552.096 4.939 50 0 KJAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000101456340 554777409 /nfs/dbraw/zinc/77/74/09/554777409.db2.gz OTJWXLQMEHKFFX-HXUWFJFHSA-N 1 1 552.096 4.937 50 0 KJAAMO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000101456340 554777406 /nfs/dbraw/zinc/77/74/06/554777406.db2.gz OTJWXLQMEHKFFX-HXUWFJFHSA-N 1 1 552.096 4.937 50 0 KJAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000101456344 554777328 /nfs/dbraw/zinc/77/73/28/554777328.db2.gz OTJWXLQMEHKFFX-FQEVSTJZSA-N 1 1 552.096 4.937 50 0 KJAAMO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000101456344 554777323 /nfs/dbraw/zinc/77/73/23/554777323.db2.gz OTJWXLQMEHKFFX-FQEVSTJZSA-N 1 1 552.096 4.937 50 0 KJAAMO Cc1ccc(C)c(CN2c3cc(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000101456885 554777551 /nfs/dbraw/zinc/77/75/51/554777551.db2.gz DQDNUUMXPUAFBQ-QHCPKHFHSA-N 1 1 545.705 4.901 50 0 KJAAMO Cc1ccc(C)c(CN2c3cc(C(=O)NCC[N@H+]4CCCC[C@@H]4C)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000101456885 554777549 /nfs/dbraw/zinc/77/75/49/554777549.db2.gz DQDNUUMXPUAFBQ-QHCPKHFHSA-N 1 1 545.705 4.901 50 0 KJAAMO Cc1ccc(C)c(CN2c3cc(C(=O)NCC[N@@H+]4CCCC[C@H]4C)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000101456887 554777587 /nfs/dbraw/zinc/77/75/87/554777587.db2.gz DQDNUUMXPUAFBQ-HSZRJFAPSA-N 1 1 545.705 4.901 50 0 KJAAMO Cc1ccc(C)c(CN2c3cc(C(=O)NCC[N@H+]4CCCC[C@H]4C)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000101456887 554777585 /nfs/dbraw/zinc/77/75/85/554777585.db2.gz DQDNUUMXPUAFBQ-HSZRJFAPSA-N 1 1 545.705 4.901 50 0 KJAAMO COc1ccc(C[NH+]2CCN(c3ccccc3C)CC2)cc1OCCNS(=O)(=O)c1cccc(Cl)c1C ZINC000101474971 1066206833 /nfs/dbraw/zinc/20/68/33/1066206833.db2.gz JTUUYQVRHRLRFA-UHFFFAOYSA-N 1 1 544.117 4.645 50 0 KJAAMO COc1ccc(C[NH+]2CCN(c3ccccc3C)CC2)cc1OCCNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000101480165 1066206923 /nfs/dbraw/zinc/20/69/23/1066206923.db2.gz AHHWUPIVWCPPQW-UHFFFAOYSA-N 1 1 563.642 4.702 50 0 KJAAMO COc1ccc(C[NH+]2CCN(c3ccccc3C)CC2)cc1OCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000101481928 1066497733 /nfs/dbraw/zinc/49/77/33/1066497733.db2.gz YCYGQICLWLRFBB-UHFFFAOYSA-N 1 1 563.642 4.702 50 0 KJAAMO O=C1[C@H]2[C@H]3CCC[N@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl ZINC000101487444 554785587 /nfs/dbraw/zinc/78/55/87/554785587.db2.gz JSQUVSBDJKAQBK-KBADEGBASA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl ZINC000101487444 554785586 /nfs/dbraw/zinc/78/55/86/554785586.db2.gz JSQUVSBDJKAQBK-KBADEGBASA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@H]3CCC[N@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl ZINC000101487447 554785565 /nfs/dbraw/zinc/78/55/65/554785565.db2.gz JSQUVSBDJKAQBK-KYDPCDFDSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl ZINC000101487447 554785563 /nfs/dbraw/zinc/78/55/63/554785563.db2.gz JSQUVSBDJKAQBK-KYDPCDFDSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@@H]3CCC[N@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl ZINC000101487450 554785560 /nfs/dbraw/zinc/78/55/60/554785560.db2.gz JSQUVSBDJKAQBK-GYJOCFJSSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@@H]3CCC[N@@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl ZINC000101487450 554785558 /nfs/dbraw/zinc/78/55/58/554785558.db2.gz JSQUVSBDJKAQBK-GYJOCFJSSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl ZINC000101487452 554785612 /nfs/dbraw/zinc/78/56/12/554785612.db2.gz JSQUVSBDJKAQBK-GDQXJVMJSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl ZINC000101487452 554785610 /nfs/dbraw/zinc/78/56/10/554785610.db2.gz JSQUVSBDJKAQBK-GDQXJVMJSA-N 1 1 543.410 4.533 50 0 KJAAMO CC(C)[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]12 ZINC000101493147 554786279 /nfs/dbraw/zinc/78/62/79/554786279.db2.gz YRHOUXNGDKMWMJ-QCKMMZMISA-N 1 1 545.426 4.683 50 0 KJAAMO CC(C)[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]12 ZINC000101493150 554786229 /nfs/dbraw/zinc/78/62/29/554786229.db2.gz YRHOUXNGDKMWMJ-DWDWSSDJSA-N 1 1 545.426 4.683 50 0 KJAAMO CC(C)[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]12 ZINC000101493155 554786303 /nfs/dbraw/zinc/78/63/03/554786303.db2.gz YRHOUXNGDKMWMJ-BMUWGPQISA-N 1 1 545.426 4.683 50 0 KJAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]12 ZINC000101493157 554786351 /nfs/dbraw/zinc/78/63/51/554786351.db2.gz YRHOUXNGDKMWMJ-FKFIADBHSA-N 1 1 545.426 4.683 50 0 KJAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(Br)c1 ZINC000101495247 554786493 /nfs/dbraw/zinc/78/64/93/554786493.db2.gz UUJGVDLCRVCTAO-DXSIMJTGSA-N 1 1 583.486 4.837 50 0 KJAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(Br)c1 ZINC000101495249 554786909 /nfs/dbraw/zinc/78/69/09/554786909.db2.gz UUJGVDLCRVCTAO-JKGCRDSPSA-N 1 1 583.486 4.837 50 0 KJAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(Br)c1 ZINC000101495251 554786855 /nfs/dbraw/zinc/78/68/55/554786855.db2.gz UUJGVDLCRVCTAO-KXLMYSQUSA-N 1 1 583.486 4.837 50 0 KJAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(Br)c1 ZINC000101495252 554786826 /nfs/dbraw/zinc/78/68/26/554786826.db2.gz UUJGVDLCRVCTAO-JXXDWEOVSA-N 1 1 583.486 4.837 50 0 KJAAMO C[C@@H]1CCC[C@H]([N@@H+](CCCNC(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)Cc2ccco2)[C@@H]1C ZINC000101495353 554786903 /nfs/dbraw/zinc/78/69/03/554786903.db2.gz VPGCDAFMBQRQMQ-ZLRJYYBNSA-N 1 1 541.696 4.809 50 0 KJAAMO C[C@@H]1CCC[C@@H]([N@@H+](CCCNC(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)Cc2ccco2)[C@@H]1C ZINC000101495359 554786832 /nfs/dbraw/zinc/78/68/32/554786832.db2.gz VPGCDAFMBQRQMQ-BOYVUMAVSA-N 1 1 541.696 4.809 50 0 KJAAMO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000101495863 554786900 /nfs/dbraw/zinc/78/69/00/554786900.db2.gz GCSFJKUUFZLWCQ-RFFSZZMTSA-N 1 1 569.459 4.529 50 0 KJAAMO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000101495865 554786879 /nfs/dbraw/zinc/78/68/79/554786879.db2.gz GCSFJKUUFZLWCQ-CCPXWOOUSA-N 1 1 569.459 4.529 50 0 KJAAMO CC(C)C[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000101495866 554786817 /nfs/dbraw/zinc/78/68/17/554786817.db2.gz GCSFJKUUFZLWCQ-NIVHOULJSA-N 1 1 569.459 4.529 50 0 KJAAMO CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000101495869 554786896 /nfs/dbraw/zinc/78/68/96/554786896.db2.gz GCSFJKUUFZLWCQ-MTBINSJKSA-N 1 1 569.459 4.529 50 0 KJAAMO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000101497358 554787063 /nfs/dbraw/zinc/78/70/63/554787063.db2.gz QKVFMUSRIBHIJA-UXIIFZHGSA-N 1 1 540.623 4.920 50 0 KJAAMO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000101497362 554787097 /nfs/dbraw/zinc/78/70/97/554787097.db2.gz QKVFMUSRIBHIJA-ASXOZOEASA-N 1 1 540.623 4.920 50 0 KJAAMO CC(C)C[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000101497364 554787044 /nfs/dbraw/zinc/78/70/44/554787044.db2.gz QKVFMUSRIBHIJA-CERKNEJRSA-N 1 1 540.623 4.920 50 0 KJAAMO CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000101497367 554787112 /nfs/dbraw/zinc/78/71/12/554787112.db2.gz QKVFMUSRIBHIJA-SCSDCZBSSA-N 1 1 540.623 4.920 50 0 KJAAMO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000101499820 554787571 /nfs/dbraw/zinc/78/75/71/554787571.db2.gz PDYKNSIXGVNDRH-RFFSZZMTSA-N 1 1 558.560 4.785 50 0 KJAAMO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000101499822 554787544 /nfs/dbraw/zinc/78/75/44/554787544.db2.gz PDYKNSIXGVNDRH-CCPXWOOUSA-N 1 1 558.560 4.785 50 0 KJAAMO CC(C)C[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000101499823 554787580 /nfs/dbraw/zinc/78/75/80/554787580.db2.gz PDYKNSIXGVNDRH-NIVHOULJSA-N 1 1 558.560 4.785 50 0 KJAAMO CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000101499824 554787609 /nfs/dbraw/zinc/78/76/09/554787609.db2.gz PDYKNSIXGVNDRH-MTBINSJKSA-N 1 1 558.560 4.785 50 0 KJAAMO O=C1[C@H]2[C@H]3CCC[N@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cccc(Cl)c1Cl ZINC000101500748 554788239 /nfs/dbraw/zinc/78/82/39/554788239.db2.gz GTHDBWXQSJWIKU-CAZUSIACSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cccc(Cl)c1Cl ZINC000101500748 554788236 /nfs/dbraw/zinc/78/82/36/554788236.db2.gz GTHDBWXQSJWIKU-CAZUSIACSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@H]3CCC[N@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cccc(Cl)c1Cl ZINC000101500749 554788435 /nfs/dbraw/zinc/78/84/35/554788435.db2.gz GTHDBWXQSJWIKU-KLSUDGHFSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cccc(Cl)c1Cl ZINC000101500749 554788433 /nfs/dbraw/zinc/78/84/33/554788433.db2.gz GTHDBWXQSJWIKU-KLSUDGHFSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@@H]3CCC[N@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cccc(Cl)c1Cl ZINC000101500750 554788466 /nfs/dbraw/zinc/78/84/66/554788466.db2.gz GTHDBWXQSJWIKU-PIUHWARJSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@@H]3CCC[N@@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cccc(Cl)c1Cl ZINC000101500750 554788464 /nfs/dbraw/zinc/78/84/64/554788464.db2.gz GTHDBWXQSJWIKU-PIUHWARJSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cccc(Cl)c1Cl ZINC000101500753 554788490 /nfs/dbraw/zinc/78/84/90/554788490.db2.gz GTHDBWXQSJWIKU-FNZHFSSOSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cccc(Cl)c1Cl ZINC000101500753 554788488 /nfs/dbraw/zinc/78/84/88/554788488.db2.gz GTHDBWXQSJWIKU-FNZHFSSOSA-N 1 1 543.410 4.533 50 0 KJAAMO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]12 ZINC000101500877 554788394 /nfs/dbraw/zinc/78/83/94/554788394.db2.gz AMFTWLGBALJBNF-SYCPYCSESA-N 1 1 540.623 4.920 50 0 KJAAMO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]12 ZINC000101500879 554788400 /nfs/dbraw/zinc/78/84/00/554788400.db2.gz AMFTWLGBALJBNF-FRLRTBHBSA-N 1 1 540.623 4.920 50 0 KJAAMO CC(C)C[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]12 ZINC000101500880 554788363 /nfs/dbraw/zinc/78/83/63/554788363.db2.gz AMFTWLGBALJBNF-GSDNUHMKSA-N 1 1 540.623 4.920 50 0 KJAAMO CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]12 ZINC000101500883 554788369 /nfs/dbraw/zinc/78/83/69/554788369.db2.gz AMFTWLGBALJBNF-UDUVIOQSSA-N 1 1 540.623 4.920 50 0 KJAAMO Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H](CC(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101501688 554788740 /nfs/dbraw/zinc/78/87/40/554788740.db2.gz ILYNZLZMQUNSLX-DXSIMJTGSA-N 1 1 539.035 4.728 50 0 KJAAMO Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H](CC(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101501691 554788684 /nfs/dbraw/zinc/78/86/84/554788684.db2.gz ILYNZLZMQUNSLX-JKGCRDSPSA-N 1 1 539.035 4.728 50 0 KJAAMO Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@H](CC(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101501694 554788679 /nfs/dbraw/zinc/78/86/79/554788679.db2.gz ILYNZLZMQUNSLX-KXLMYSQUSA-N 1 1 539.035 4.728 50 0 KJAAMO Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@H](CC(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101501698 554788710 /nfs/dbraw/zinc/78/87/10/554788710.db2.gz ILYNZLZMQUNSLX-JXXDWEOVSA-N 1 1 539.035 4.728 50 0 KJAAMO CC(C)[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 ZINC000101503832 554789258 /nfs/dbraw/zinc/78/92/58/554789258.db2.gz LTXVSCVJHDCNGT-XTGAJNFRSA-N 1 1 545.426 4.683 50 0 KJAAMO CC(C)[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 ZINC000101503836 554789212 /nfs/dbraw/zinc/78/92/12/554789212.db2.gz LTXVSCVJHDCNGT-CHCBTGSZSA-N 1 1 545.426 4.683 50 0 KJAAMO CC(C)[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 ZINC000101503840 554789221 /nfs/dbraw/zinc/78/92/21/554789221.db2.gz LTXVSCVJHDCNGT-RWJVBYDYSA-N 1 1 545.426 4.683 50 0 KJAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 ZINC000101503841 554789249 /nfs/dbraw/zinc/78/92/49/554789249.db2.gz LTXVSCVJHDCNGT-IDCDSMMUSA-N 1 1 545.426 4.683 50 0 KJAAMO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]12 ZINC000101503856 554789287 /nfs/dbraw/zinc/78/92/87/554789287.db2.gz GAXRLZJQFGZOJI-RFFSZZMTSA-N 1 1 542.998 4.559 50 0 KJAAMO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]12 ZINC000101503858 554789156 /nfs/dbraw/zinc/78/91/56/554789156.db2.gz GAXRLZJQFGZOJI-CCPXWOOUSA-N 1 1 542.998 4.559 50 0 KJAAMO CC(C)C[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]12 ZINC000101503860 554789275 /nfs/dbraw/zinc/78/92/75/554789275.db2.gz GAXRLZJQFGZOJI-NIVHOULJSA-N 1 1 542.998 4.559 50 0 KJAAMO CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]12 ZINC000101503861 554789280 /nfs/dbraw/zinc/78/92/80/554789280.db2.gz GAXRLZJQFGZOJI-MTBINSJKSA-N 1 1 542.998 4.559 50 0 KJAAMO O=C1[C@H]2[C@H]3CCC[N@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000101505230 554789761 /nfs/dbraw/zinc/78/97/61/554789761.db2.gz LRUVXUQSSSZDSJ-CDLOMYRSSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000101505230 554789759 /nfs/dbraw/zinc/78/97/59/554789759.db2.gz LRUVXUQSSSZDSJ-CDLOMYRSSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@H]3CCC[N@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000101505233 554789772 /nfs/dbraw/zinc/78/97/72/554789772.db2.gz LRUVXUQSSSZDSJ-HZTMJRFTSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000101505233 554789770 /nfs/dbraw/zinc/78/97/70/554789770.db2.gz LRUVXUQSSSZDSJ-HZTMJRFTSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@@H]3CCC[N@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000101505237 554789749 /nfs/dbraw/zinc/78/97/49/554789749.db2.gz LRUVXUQSSSZDSJ-PHBCIFJZSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@@H]3CCC[N@@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000101505237 554789748 /nfs/dbraw/zinc/78/97/48/554789748.db2.gz LRUVXUQSSSZDSJ-PHBCIFJZSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000101505239 554789766 /nfs/dbraw/zinc/78/97/66/554789766.db2.gz LRUVXUQSSSZDSJ-OODISRMCSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000101505239 554789764 /nfs/dbraw/zinc/78/97/64/554789764.db2.gz LRUVXUQSSSZDSJ-OODISRMCSA-N 1 1 543.410 4.533 50 0 KJAAMO CC(C)[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000101505259 554789725 /nfs/dbraw/zinc/78/97/25/554789725.db2.gz BGPSQIYEIAYDFE-XTGAJNFRSA-N 1 1 545.426 4.683 50 0 KJAAMO CC(C)[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000101505260 554789753 /nfs/dbraw/zinc/78/97/53/554789753.db2.gz BGPSQIYEIAYDFE-CHCBTGSZSA-N 1 1 545.426 4.683 50 0 KJAAMO CC(C)[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000101505262 554789695 /nfs/dbraw/zinc/78/96/95/554789695.db2.gz BGPSQIYEIAYDFE-RWJVBYDYSA-N 1 1 545.426 4.683 50 0 KJAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000101505263 554789719 /nfs/dbraw/zinc/78/97/19/554789719.db2.gz BGPSQIYEIAYDFE-IDCDSMMUSA-N 1 1 545.426 4.683 50 0 KJAAMO CC(C)[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 ZINC000101506396 554790200 /nfs/dbraw/zinc/79/02/00/554790200.db2.gz MBVXBBBUSFLOFU-XTGAJNFRSA-N 1 1 545.426 4.683 50 0 KJAAMO CC(C)[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 ZINC000101506399 554790192 /nfs/dbraw/zinc/79/01/92/554790192.db2.gz MBVXBBBUSFLOFU-CHCBTGSZSA-N 1 1 545.426 4.683 50 0 KJAAMO CC(C)[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 ZINC000101506402 554790206 /nfs/dbraw/zinc/79/02/06/554790206.db2.gz MBVXBBBUSFLOFU-RWJVBYDYSA-N 1 1 545.426 4.683 50 0 KJAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 ZINC000101506406 554790210 /nfs/dbraw/zinc/79/02/10/554790210.db2.gz MBVXBBBUSFLOFU-IDCDSMMUSA-N 1 1 545.426 4.683 50 0 KJAAMO Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](CC(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101507724 554791565 /nfs/dbraw/zinc/79/15/65/554791565.db2.gz UCVGRVLDZOLRQX-DXSIMJTGSA-N 1 1 539.035 4.728 50 0 KJAAMO Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](CC(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101507726 554791515 /nfs/dbraw/zinc/79/15/15/554791515.db2.gz UCVGRVLDZOLRQX-JKGCRDSPSA-N 1 1 539.035 4.728 50 0 KJAAMO Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](CC(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101507728 554791534 /nfs/dbraw/zinc/79/15/34/554791534.db2.gz UCVGRVLDZOLRQX-KXLMYSQUSA-N 1 1 539.035 4.728 50 0 KJAAMO Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](CC(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101507730 554791506 /nfs/dbraw/zinc/79/15/06/554791506.db2.gz UCVGRVLDZOLRQX-JXXDWEOVSA-N 1 1 539.035 4.728 50 0 KJAAMO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 ZINC000101507774 554791537 /nfs/dbraw/zinc/79/15/37/554791537.db2.gz QYKMTOOSQRDMTF-RFFSZZMTSA-N 1 1 569.459 4.529 50 0 KJAAMO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 ZINC000101507776 554791473 /nfs/dbraw/zinc/79/14/73/554791473.db2.gz QYKMTOOSQRDMTF-CCPXWOOUSA-N 1 1 569.459 4.529 50 0 KJAAMO CC(C)C[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 ZINC000101507777 554791520 /nfs/dbraw/zinc/79/15/20/554791520.db2.gz QYKMTOOSQRDMTF-NIVHOULJSA-N 1 1 569.459 4.529 50 0 KJAAMO CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 ZINC000101507778 554791524 /nfs/dbraw/zinc/79/15/24/554791524.db2.gz QYKMTOOSQRDMTF-MTBINSJKSA-N 1 1 569.459 4.529 50 0 KJAAMO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 ZINC000101508674 554791728 /nfs/dbraw/zinc/79/17/28/554791728.db2.gz MPDMUKBWBMNURO-LUASENJMSA-N 1 1 558.560 4.785 50 0 KJAAMO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 ZINC000101508676 554791718 /nfs/dbraw/zinc/79/17/18/554791718.db2.gz MPDMUKBWBMNURO-DIKZQZFXSA-N 1 1 558.560 4.785 50 0 KJAAMO CC(C)C[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 ZINC000101508677 554791807 /nfs/dbraw/zinc/79/18/07/554791807.db2.gz MPDMUKBWBMNURO-RHRDVFBWSA-N 1 1 558.560 4.785 50 0 KJAAMO CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 ZINC000101508678 554791787 /nfs/dbraw/zinc/79/17/87/554791787.db2.gz MPDMUKBWBMNURO-OBWDDDHRSA-N 1 1 558.560 4.785 50 0 KJAAMO O=C1[C@H]2[C@H]3CCC[N@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000101508691 554791702 /nfs/dbraw/zinc/79/17/02/554791702.db2.gz LACKUSYFZIZRCA-CDLOMYRSSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000101508691 554791699 /nfs/dbraw/zinc/79/16/99/554791699.db2.gz LACKUSYFZIZRCA-CDLOMYRSSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@H]3CCC[N@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000101508693 554791769 /nfs/dbraw/zinc/79/17/69/554791769.db2.gz LACKUSYFZIZRCA-HZTMJRFTSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000101508693 554791766 /nfs/dbraw/zinc/79/17/66/554791766.db2.gz LACKUSYFZIZRCA-HZTMJRFTSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@@H]3CCC[N@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000101508695 554791681 /nfs/dbraw/zinc/79/16/81/554791681.db2.gz LACKUSYFZIZRCA-PHBCIFJZSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@@H]3CCC[N@@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000101508695 554791678 /nfs/dbraw/zinc/79/16/78/554791678.db2.gz LACKUSYFZIZRCA-PHBCIFJZSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000101508696 554791741 /nfs/dbraw/zinc/79/17/41/554791741.db2.gz LACKUSYFZIZRCA-OODISRMCSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000101508696 554791740 /nfs/dbraw/zinc/79/17/40/554791740.db2.gz LACKUSYFZIZRCA-OODISRMCSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000101557684 554797338 /nfs/dbraw/zinc/79/73/38/554797338.db2.gz BAJNMHYMKAMWOB-UHFFFAOYSA-N 1 1 572.704 4.908 50 0 KJAAMO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC[N@H+]4CCCC[C@@H]4C)CC3)s2)cc1 ZINC000101575509 554799119 /nfs/dbraw/zinc/79/91/19/554799119.db2.gz ULJRITTZPBQPET-QFIPXVFZSA-N 1 1 551.761 4.547 50 0 KJAAMO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC[N@H+]4CCCC[C@H]4C)CC3)s2)cc1 ZINC000101575516 554799031 /nfs/dbraw/zinc/79/90/31/554799031.db2.gz ULJRITTZPBQPET-JOCHJYFZSA-N 1 1 551.761 4.547 50 0 KJAAMO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCC[NH+]4CCN(Cc5ccccc5)CC4)CC3)s2)cc1 ZINC000101575705 554799099 /nfs/dbraw/zinc/79/90/99/554799099.db2.gz SNXLYGDHNQBBNG-UHFFFAOYSA-N 1 1 642.874 4.880 50 0 KJAAMO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC[N@@H+](C)C4CCCCC4)CC3)s2)cc1 ZINC000101575754 554799000 /nfs/dbraw/zinc/79/90/00/554799000.db2.gz ZZRCDIRCDBDSIO-UHFFFAOYSA-N 1 1 565.788 4.937 50 0 KJAAMO CC(C)[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000101599808 554803916 /nfs/dbraw/zinc/80/39/16/554803916.db2.gz XFMFTOKPFCFGTG-NPJKBUODSA-N 1 1 526.596 4.530 50 0 KJAAMO CC(C)[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000101599813 554803887 /nfs/dbraw/zinc/80/38/87/554803887.db2.gz XFMFTOKPFCFGTG-RPWGJLQWSA-N 1 1 526.596 4.530 50 0 KJAAMO CC(C)[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000101599819 554803894 /nfs/dbraw/zinc/80/38/94/554803894.db2.gz XFMFTOKPFCFGTG-UJCZQSIQSA-N 1 1 526.596 4.530 50 0 KJAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000101599827 554803890 /nfs/dbraw/zinc/80/38/90/554803890.db2.gz XFMFTOKPFCFGTG-LUYUGSQRSA-N 1 1 526.596 4.530 50 0 KJAAMO CC(C)[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 ZINC000101606692 554805108 /nfs/dbraw/zinc/80/51/08/554805108.db2.gz GVFOAYGGUFXSIM-XTGAJNFRSA-N 1 1 545.426 4.683 50 0 KJAAMO CC(C)[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 ZINC000101606696 554805080 /nfs/dbraw/zinc/80/50/80/554805080.db2.gz GVFOAYGGUFXSIM-CHCBTGSZSA-N 1 1 545.426 4.683 50 0 KJAAMO CC(C)[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 ZINC000101606701 554805085 /nfs/dbraw/zinc/80/50/85/554805085.db2.gz GVFOAYGGUFXSIM-RWJVBYDYSA-N 1 1 545.426 4.683 50 0 KJAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 ZINC000101606707 554805026 /nfs/dbraw/zinc/80/50/26/554805026.db2.gz GVFOAYGGUFXSIM-IDCDSMMUSA-N 1 1 545.426 4.683 50 0 KJAAMO CC(C)[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]12 ZINC000101609277 554805302 /nfs/dbraw/zinc/80/53/02/554805302.db2.gz YWZHRYBPRQRKJJ-NPJKBUODSA-N 1 1 526.596 4.530 50 0 KJAAMO CC(C)[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]12 ZINC000101609281 554805313 /nfs/dbraw/zinc/80/53/13/554805313.db2.gz YWZHRYBPRQRKJJ-RPWGJLQWSA-N 1 1 526.596 4.530 50 0 KJAAMO CC(C)[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]12 ZINC000101609286 554805386 /nfs/dbraw/zinc/80/53/86/554805386.db2.gz YWZHRYBPRQRKJJ-UJCZQSIQSA-N 1 1 526.596 4.530 50 0 KJAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]12 ZINC000101609290 554805362 /nfs/dbraw/zinc/80/53/62/554805362.db2.gz YWZHRYBPRQRKJJ-LUYUGSQRSA-N 1 1 526.596 4.530 50 0 KJAAMO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1cccc(OC)c1OC)C3=O ZINC000101614412 554805868 /nfs/dbraw/zinc/80/58/68/554805868.db2.gz YLEFLRSGHVDWLP-KVSUUNMHSA-N 1 1 576.738 4.566 50 0 KJAAMO CCOc1ccccc1CN1C(=O)c2cc3ccc(OC)cc3n2C[C@@]1(C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000101622055 554809572 /nfs/dbraw/zinc/80/95/72/554809572.db2.gz QKQRDLIKZUEZJT-LOTJKCTMSA-N 1 1 560.739 4.948 50 0 KJAAMO CCOc1ccccc1CN1C(=O)c2cc3ccc(OC)cc3n2C[C@]1(C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000101622061 554809601 /nfs/dbraw/zinc/80/96/01/554809601.db2.gz QKQRDLIKZUEZJT-KECSPFHLSA-N 1 1 560.739 4.948 50 0 KJAAMO CCOc1ccc(CN2C(=O)c3cc4ccc(OC)cc4n3C[C@@]2(C)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000101622114 554809598 /nfs/dbraw/zinc/80/95/98/554809598.db2.gz BWPXUZSMNPJVMG-LOTJKCTMSA-N 1 1 560.739 4.948 50 0 KJAAMO CCOc1ccc(CN2C(=O)c3cc4ccc(OC)cc4n3C[C@]2(C)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000101622118 554809559 /nfs/dbraw/zinc/80/95/59/554809559.db2.gz BWPXUZSMNPJVMG-KECSPFHLSA-N 1 1 560.739 4.948 50 0 KJAAMO COc1ccc(CN2C(=O)c3cc4ccc(OC)cc4n3C[C@@]2(C)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000101622897 554810329 /nfs/dbraw/zinc/81/03/29/554810329.db2.gz MDPOCKBXLAANEA-YBBGPBPVSA-N 1 1 546.712 4.557 50 0 KJAAMO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1ccccc1OC)C3=O ZINC000101623031 554810577 /nfs/dbraw/zinc/81/05/77/554810577.db2.gz IMTTWSUYJSHMAS-YBBGPBPVSA-N 1 1 546.712 4.557 50 0 KJAAMO O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000101629754 554811386 /nfs/dbraw/zinc/81/13/86/554811386.db2.gz DSIIZFPYVWKWKR-RRAHZORUSA-N 1 1 548.659 4.773 50 0 KJAAMO O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)Oc2ccccc21)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000101632556 554812034 /nfs/dbraw/zinc/81/20/34/554812034.db2.gz UYOVOKPPWZOLKW-OVVQPSECSA-N 1 1 551.474 4.698 50 0 KJAAMO C[C@H](C(=O)N1CCC(Oc2ccc(C[NH+]3CCN(c4ccccc4F)CC3)cc2)CC1)c1n[nH]c(=O)c2ccccc21 ZINC000101641022 554814464 /nfs/dbraw/zinc/81/44/64/554814464.db2.gz LZFWXYDBBQMEIY-QHCPKHFHSA-N 1 1 569.681 4.558 50 0 KJAAMO C[C@@H](C(=O)N1CCC(Oc2ccc(C[NH+]3CCN(c4ccccc4F)CC3)cc2)CC1)c1n[nH]c(=O)c2ccccc21 ZINC000101641027 554814440 /nfs/dbraw/zinc/81/44/40/554814440.db2.gz LZFWXYDBBQMEIY-HSZRJFAPSA-N 1 1 569.681 4.558 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000101672048 554825513 /nfs/dbraw/zinc/82/55/13/554825513.db2.gz MEUGUJJXQASHQF-QYOOZWMWSA-N 1 1 561.516 4.631 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000101672048 554825511 /nfs/dbraw/zinc/82/55/11/554825511.db2.gz MEUGUJJXQASHQF-QYOOZWMWSA-N 1 1 561.516 4.631 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000101672052 554825555 /nfs/dbraw/zinc/82/55/55/554825555.db2.gz MEUGUJJXQASHQF-QUMGSSFMSA-N 1 1 561.516 4.631 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000101672052 554825553 /nfs/dbraw/zinc/82/55/53/554825553.db2.gz MEUGUJJXQASHQF-QUMGSSFMSA-N 1 1 561.516 4.631 50 0 KJAAMO CCCC[N@@H+](CCCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCOCC3)cc21)Cc1ccccc1 ZINC000101681349 554828497 /nfs/dbraw/zinc/82/84/97/554828497.db2.gz AKZVTKBWJBTXHN-UHFFFAOYSA-N 1 1 601.773 4.740 50 0 KJAAMO COc1ccc(Br)cc1CNC(=O)CNC(=S)N1CC[N@@H+](Cc2ccc(C)cc2)C2(CCCCC2)C1 ZINC000101685148 554829442 /nfs/dbraw/zinc/82/94/42/554829442.db2.gz RZBUPTWPKACLIJ-UHFFFAOYSA-N 1 1 573.601 4.778 50 0 KJAAMO O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000101687668 554829956 /nfs/dbraw/zinc/82/99/56/554829956.db2.gz YNPOYPYDUQKEBE-OOAXWGSJSA-N 1 1 533.097 4.758 50 0 KJAAMO CC1CCN(S(=O)(=O)c2ccc3nc(-c4cccnc4)cc(C(=O)NCC[N@@H+](C)Cc4ccccc4)c3c2)CC1 ZINC000101687776 554829961 /nfs/dbraw/zinc/82/99/61/554829961.db2.gz HMRIEZXARWTMFW-UHFFFAOYSA-N 1 1 557.720 4.579 50 0 KJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@H](O)COCc1ccccc1 ZINC000101740470 554834014 /nfs/dbraw/zinc/83/40/14/554834014.db2.gz ISOZENFDVPJHPA-AHWVRZQESA-N 1 1 538.710 4.551 50 0 KJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@@H](O)COCc1ccccc1 ZINC000101740477 554833981 /nfs/dbraw/zinc/83/39/81/554833981.db2.gz ISOZENFDVPJHPA-RSXGOPAZSA-N 1 1 538.710 4.551 50 0 KJAAMO O=C(CC[C@H]1C[N@H+](Cc2ccccc2Cl)CC[C@H]1N1CCN(c2ccccc2F)CC1)NCc1cccnc1 ZINC000101888717 554846209 /nfs/dbraw/zinc/84/62/09/554846209.db2.gz IVNFFUKKLKLRLS-LITSAYRRSA-N 1 1 550.122 4.983 50 0 KJAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccccc2Cl)CC[C@H]1N1CCN(c2ccccc2F)CC1)NCc1cccnc1 ZINC000101888717 554846208 /nfs/dbraw/zinc/84/62/08/554846208.db2.gz IVNFFUKKLKLRLS-LITSAYRRSA-N 1 1 550.122 4.983 50 0 KJAAMO O=C(CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCN(c2ccccc2F)CC1)NCc1cccnc1 ZINC000101890172 554846477 /nfs/dbraw/zinc/84/64/77/554846477.db2.gz CNAQGCDXSIKDGG-LITSAYRRSA-N 1 1 550.122 4.983 50 0 KJAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCN(c2ccccc2F)CC1)NCc1cccnc1 ZINC000101890172 554846476 /nfs/dbraw/zinc/84/64/76/554846476.db2.gz CNAQGCDXSIKDGG-LITSAYRRSA-N 1 1 550.122 4.983 50 0 KJAAMO COc1ccc(C(=O)N2CCN(CCOc3ccc(C[N@@H+](C)Cc4ccc5ncccc5c4)cc3)CC2)cc1OC ZINC000101900738 554847400 /nfs/dbraw/zinc/84/74/00/554847400.db2.gz JSQUHFDGEPYSQJ-UHFFFAOYSA-N 1 1 554.691 4.721 50 0 KJAAMO O=C1Nc2ccccc2Oc2cc(N3CC[NH+](Cc4ccccc4)CC3)c(S(=O)(=O)N3CCCCCC3)cc21 ZINC000101901675 554847616 /nfs/dbraw/zinc/84/76/16/554847616.db2.gz ZPANHSMROJLKCW-UHFFFAOYSA-N 1 1 546.693 4.932 50 0 KJAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000101903756 554847839 /nfs/dbraw/zinc/84/78/39/554847839.db2.gz XKCYCXIZYYSPCE-AREMUKBSSA-N 1 1 536.673 4.576 50 0 KJAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000101903763 554847792 /nfs/dbraw/zinc/84/77/92/554847792.db2.gz XKCYCXIZYYSPCE-SANMLTNESA-N 1 1 536.673 4.576 50 0 KJAAMO CC[NH+]1CCN(c2ccc(NC(=O)CCc3ccccc3)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000101903806 554847805 /nfs/dbraw/zinc/84/78/05/554847805.db2.gz MGOIVESFUDNQQX-MUUNZHRXSA-N 1 1 546.737 4.756 50 0 KJAAMO CC[NH+]1CCN(c2ccc(NC(=O)CCc3ccccc3)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000101903809 554847842 /nfs/dbraw/zinc/84/78/42/554847842.db2.gz MGOIVESFUDNQQX-NDEPHWFRSA-N 1 1 546.737 4.756 50 0 KJAAMO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000101904012 554848025 /nfs/dbraw/zinc/84/80/25/554848025.db2.gz DOPYYKLFRUUISL-ZGIBFIJWSA-N 1 1 558.748 4.927 50 0 KJAAMO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000101904015 554848004 /nfs/dbraw/zinc/84/80/04/554848004.db2.gz DOPYYKLFRUUISL-NHKHRBQYSA-N 1 1 558.748 4.927 50 0 KJAAMO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000101904019 554848067 /nfs/dbraw/zinc/84/80/67/554848067.db2.gz DOPYYKLFRUUISL-YTCPBCGMSA-N 1 1 558.748 4.927 50 0 KJAAMO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000101904026 554848039 /nfs/dbraw/zinc/84/80/39/554848039.db2.gz DOPYYKLFRUUISL-AWCRTANDSA-N 1 1 558.748 4.927 50 0 KJAAMO CC[NH+]1CCN(c2ccc(NC(=O)CSc3ccccc3)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000101904035 554848070 /nfs/dbraw/zinc/84/80/70/554848070.db2.gz HHAPZYOLNZTVGO-HHHXNRCGSA-N 1 1 564.777 4.915 50 0 KJAAMO CC[NH+]1CCN(c2ccc(NC(=O)CSc3ccccc3)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000101904042 554848055 /nfs/dbraw/zinc/84/80/55/554848055.db2.gz HHAPZYOLNZTVGO-MHZLTWQESA-N 1 1 564.777 4.915 50 0 KJAAMO CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 ZINC000101917446 554850652 /nfs/dbraw/zinc/85/06/52/554850652.db2.gz YNFAUOWPSDJLOH-UHFFFAOYSA-N 1 1 624.804 4.744 50 0 KJAAMO O=C(COc1ccc(-c2csc3ccccc32)cc1C[NH+]1CCN(c2ccccn2)CC1)N1CCC[C@H](CO)C1 ZINC000101935852 554852064 /nfs/dbraw/zinc/85/20/64/554852064.db2.gz YJQBEPAGHBUBHQ-DEOSSOPVSA-N 1 1 556.732 4.895 50 0 KJAAMO O=C(COc1ccc(-c2csc3ccccc32)cc1C[NH+]1CCN(c2ccccn2)CC1)N1CCC[C@@H](CO)C1 ZINC000101935861 554851989 /nfs/dbraw/zinc/85/19/89/554851989.db2.gz YJQBEPAGHBUBHQ-XMMPIXPASA-N 1 1 556.732 4.895 50 0 KJAAMO Cc1cc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2cccc(C(F)(F)F)c2)CC3)ccc1F ZINC000101945696 554852643 /nfs/dbraw/zinc/85/26/43/554852643.db2.gz QQRYRENFRBQOSC-UHFFFAOYSA-N 1 1 529.538 4.686 50 0 KJAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)c(F)c4)n2)CN(C(=O)c2ccc(C(F)(F)F)cc2)CC3)CC1 ZINC000101945878 554852615 /nfs/dbraw/zinc/85/26/15/554852615.db2.gz NTCOJYFCXWLULS-UHFFFAOYSA-N 1 1 533.501 4.516 50 0 KJAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)c(F)c4)n2)CN(C(=O)c2cccc(C(F)(F)F)c2)CC3)CC1 ZINC000101946466 554852621 /nfs/dbraw/zinc/85/26/21/554852621.db2.gz MHJAITOMEDLYNH-UHFFFAOYSA-N 1 1 533.501 4.516 50 0 KJAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)c(F)c4)n2)CN(C(=O)c2ccc(Cl)c(Cl)c2)CC3)CC1 ZINC000101946685 554852564 /nfs/dbraw/zinc/85/25/64/554852564.db2.gz MIYVLCTWDBMAIX-UHFFFAOYSA-N 1 1 534.394 4.804 50 0 KJAAMO Cc1cc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2ccc(C(F)(F)F)cc2)CC3)ccc1F ZINC000101947928 554852569 /nfs/dbraw/zinc/85/25/69/554852569.db2.gz HPYOKMWEVGZVIB-UHFFFAOYSA-N 1 1 529.538 4.686 50 0 KJAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)cc4F)n2)CN(C(=O)c2ccc(Cl)c(Cl)c2)CC3)CC1 ZINC000101948343 554852926 /nfs/dbraw/zinc/85/29/26/554852926.db2.gz HCBBWRYNPVJROZ-UHFFFAOYSA-N 1 1 534.394 4.804 50 0 KJAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)cc4F)n2)CN(C(=O)c2cccc(C(F)(F)F)c2)CC3)CC1 ZINC000101948395 554852861 /nfs/dbraw/zinc/85/28/61/554852861.db2.gz ODKHLGUCTVMBCH-UHFFFAOYSA-N 1 1 533.501 4.516 50 0 KJAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)cc4F)n2)CN(C(=O)c2ccc(C(F)(F)F)cc2)CC3)CC1 ZINC000101948413 554852856 /nfs/dbraw/zinc/85/28/56/554852856.db2.gz RBRZPTKNLCSHAZ-UHFFFAOYSA-N 1 1 533.501 4.516 50 0 KJAAMO O=C(COc1ccc(-c2ncccn2)cc1C[N@H+]1CCc2ccccc2C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000101952017 1066211870 /nfs/dbraw/zinc/21/18/70/1066211870.db2.gz XXUKLBVXGSYKPC-UHFFFAOYSA-N 1 1 537.639 4.569 50 0 KJAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C[C@@H]2CCC(=O)N(C)Cc2cscn2)CC1 ZINC000101960686 554853594 /nfs/dbraw/zinc/85/35/94/554853594.db2.gz HGFIVBSIYFGRKQ-XTEPFMGCSA-N 1 1 547.769 4.603 50 0 KJAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CCC(=O)N(C)Cc2cscn2)CC1 ZINC000101960686 554853592 /nfs/dbraw/zinc/85/35/92/554853592.db2.gz HGFIVBSIYFGRKQ-XTEPFMGCSA-N 1 1 547.769 4.603 50 0 KJAAMO COc1ccc(C[N@H+]2C[C@H](n3cnnn3)C[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)c2ccccc12 ZINC000101965485 554853948 /nfs/dbraw/zinc/85/39/48/554853948.db2.gz ZUPJPPATGXCEBH-NAKRPHOHSA-N 1 1 518.621 4.556 50 0 KJAAMO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(CCCc1ccccc1)C3=O ZINC000101991052 554863917 /nfs/dbraw/zinc/86/39/17/554863917.db2.gz JMAUDSZGGIKASF-DVIHYUSWSA-N 1 1 544.740 4.981 50 0 KJAAMO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1cccc(OC)c1)C3=O ZINC000101991093 554863895 /nfs/dbraw/zinc/86/38/95/554863895.db2.gz QEWPEIDXZOGOIU-YBBGPBPVSA-N 1 1 546.712 4.557 50 0 KJAAMO COc1cccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1OC ZINC000101991195 554864195 /nfs/dbraw/zinc/86/41/95/554864195.db2.gz TWNUZWJIHMARIM-YBBGPBPVSA-N 1 1 546.712 4.557 50 0 KJAAMO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@@H+](Cc3ccc(OC)c(OC)c3)C2)cc1 ZINC000101996704 554865393 /nfs/dbraw/zinc/86/53/93/554865393.db2.gz VCTAZFCTKXOUEH-RRPNLBNLSA-N 1 1 557.691 4.594 50 0 KJAAMO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC(Oc2cccc(C[NH+]3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000101998692 1066217348 /nfs/dbraw/zinc/21/73/48/1066217348.db2.gz ICTWNWTXAVZVJT-UHFFFAOYSA-N 1 1 590.668 4.530 50 0 KJAAMO COc1cccc(CN2CC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)[C@@H](CCC(=O)N3CCC(C)CC3)C2)c1OC ZINC000102011418 554866895 /nfs/dbraw/zinc/86/68/95/554866895.db2.gz UECIXLPSKDONPL-LITSAYRRSA-N 1 1 566.762 4.894 50 0 KJAAMO COc1cccc(C[N@H+]2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@@H](CCC(=O)N3CCC(C)CC3)C2)c1OC ZINC000102011418 554866894 /nfs/dbraw/zinc/86/68/94/554866894.db2.gz UECIXLPSKDONPL-LITSAYRRSA-N 1 1 566.762 4.894 50 0 KJAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(OC)c(C)c2OC)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102019290 554867172 /nfs/dbraw/zinc/86/71/72/554867172.db2.gz YBLIQASHVHJFBO-BKMJKUGQSA-N 1 1 563.661 4.997 50 0 KJAAMO COC(=O)CC[C@H]1C[N@H+](Cc2ccc(OC)c(C)c2OC)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102019290 554867171 /nfs/dbraw/zinc/86/71/71/554867171.db2.gz YBLIQASHVHJFBO-BKMJKUGQSA-N 1 1 563.661 4.997 50 0 KJAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(OC)c3ccccc23)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000102019655 554867203 /nfs/dbraw/zinc/86/72/03/554867203.db2.gz SADIWQFHQRITTR-LBNVMWSVSA-N 1 1 531.697 4.823 50 0 KJAAMO CC[NH+]1CCN(C(=O)CCN(Cc2ccco2)C(=O)c2csc(Nc3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000102021174 554867352 /nfs/dbraw/zinc/86/73/52/554867352.db2.gz SHOVNBWITFYYNM-UHFFFAOYSA-N 1 1 536.485 4.983 50 0 KJAAMO CC[NH+]1CCN(C(=O)CCN(Cc2ccco2)C(=O)c2csc(Nc3cccc(C(F)(F)F)c3)n2)CC1 ZINC000102021186 554867455 /nfs/dbraw/zinc/86/74/55/554867455.db2.gz UZEYSXOIZAUMCA-UHFFFAOYSA-N 1 1 535.592 4.695 50 0 KJAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCc3ccc(C)cc3)C2)cc1OC ZINC000102048564 554870764 /nfs/dbraw/zinc/87/07/64/554870764.db2.gz QZEVDSSFOUTDDQ-WUFINQPMSA-N 1 1 541.692 4.894 50 0 KJAAMO COc1cc2[nH+]c(N(C)C)c(CN(CCc3ccc(F)cc3)C(=O)c3cn4ccccc4n3)cc2c(OC)c1OC ZINC000102052399 1066217832 /nfs/dbraw/zinc/21/78/32/1066217832.db2.gz TXJHHUVLOFPOLL-UHFFFAOYSA-N 1 1 557.626 4.999 50 0 KJAAMO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc1I ZINC000102081365 554875805 /nfs/dbraw/zinc/87/58/05/554875805.db2.gz WNIBNBNVCLEGMV-OAQYLSRUSA-N 1 1 531.419 4.774 50 0 KJAAMO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc1I ZINC000102081365 554875803 /nfs/dbraw/zinc/87/58/03/554875803.db2.gz WNIBNBNVCLEGMV-OAQYLSRUSA-N 1 1 531.419 4.774 50 0 KJAAMO COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc1I ZINC000102081367 554875785 /nfs/dbraw/zinc/87/57/85/554875785.db2.gz WNIBNBNVCLEGMV-NRFANRHFSA-N 1 1 531.419 4.774 50 0 KJAAMO COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc1I ZINC000102081367 554875783 /nfs/dbraw/zinc/87/57/83/554875783.db2.gz WNIBNBNVCLEGMV-NRFANRHFSA-N 1 1 531.419 4.774 50 0 KJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(I)cc(I)c2OC)N3)C1 ZINC000102098497 554880405 /nfs/dbraw/zinc/88/04/05/554880405.db2.gz SEVVJMQKVSOWHR-INIZCTEOSA-N 1 1 595.244 4.773 50 0 KJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(I)cc(I)c2OC)N3)C1 ZINC000102098500 554880370 /nfs/dbraw/zinc/88/03/70/554880370.db2.gz SEVVJMQKVSOWHR-MRXNPFEDSA-N 1 1 595.244 4.773 50 0 KJAAMO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)cnn2-c2ccc(F)cc2)CC1 ZINC000102129700 554884348 /nfs/dbraw/zinc/88/43/48/554884348.db2.gz RNUDPNTWBYWDTC-UHFFFAOYSA-N 1 1 576.717 4.678 50 0 KJAAMO Cc1ccc(-n2ncc(C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000102130374 554885284 /nfs/dbraw/zinc/88/52/84/554885284.db2.gz OXBOIJZDQLCODG-UHFFFAOYSA-N 1 1 572.754 4.847 50 0 KJAAMO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)cnn2-c2ccccc2)CC1 ZINC000102130522 554885291 /nfs/dbraw/zinc/88/52/91/554885291.db2.gz KUZFQEKMYMGDGY-UHFFFAOYSA-N 1 1 558.727 4.539 50 0 KJAAMO COc1ccc(CNC(=O)CC[C@H]2C[N@H+](C3Cc4ccccc4C3)CC[C@H]2N2CCN(c3ccccc3F)CC2)cc1 ZINC000102153820 554889680 /nfs/dbraw/zinc/88/96/80/554889680.db2.gz VESMCDMBVCPZET-RYCFQHDISA-N 1 1 570.753 4.911 50 0 KJAAMO O=S(=O)(c1cccc2ccccc21)N1CCC(Oc2cccc(C[NH+]3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000102157291 1066218599 /nfs/dbraw/zinc/21/85/99/1066218599.db2.gz FNFHXZUKKHNACD-UHFFFAOYSA-N 1 1 556.732 4.785 50 0 KJAAMO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OCC[C@H]1CCCCN1C(=O)c1cc(C)nn1C ZINC000102182136 1066498148 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ZINC000102230588 554899890 /nfs/dbraw/zinc/89/98/90/554899890.db2.gz ACYHKFKXUNGGBB-IZZNHLLZSA-N 1 1 532.666 4.535 50 0 KJAAMO CC[NH+]1CCN(C(=O)[C@H]2[C@@H](c3ccc(NC(=O)c4cccs4)cc3)OC(=O)N2Cc2cccc(C)c2)CC1 ZINC000102230592 554900003 /nfs/dbraw/zinc/90/00/03/554900003.db2.gz ACYHKFKXUNGGBB-CLJLJLNGSA-N 1 1 532.666 4.535 50 0 KJAAMO COc1cccc(C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccc(C(F)(F)F)cc3)C4=O)CC2)c1OC ZINC000102261446 554905154 /nfs/dbraw/zinc/90/51/54/554905154.db2.gz DIQIIEAFTKNNTH-UHFFFAOYSA-N 1 1 539.554 4.841 50 0 KJAAMO O=C(C[N@@H+](C[C@@H](O)COCc1ccccc1)CC1CC1)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000102275500 554906429 /nfs/dbraw/zinc/90/64/29/554906429.db2.gz GKDPDFJSNIDVSF-NAKRPHOHSA-N 1 1 538.685 4.682 50 0 KJAAMO O=C(C[N@@H+](C[C@H](O)COCc1ccccc1)CC1CC1)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000102275505 554906391 /nfs/dbraw/zinc/90/63/91/554906391.db2.gz GKDPDFJSNIDVSF-LSYYVWMOSA-N 1 1 538.685 4.682 50 0 KJAAMO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@@H+](Cc3c[nH]c4ccccc34)C2)cc1OC ZINC000102299925 554908433 /nfs/dbraw/zinc/90/84/33/554908433.db2.gz DEKQTKHDSVPZHB-FCHUYYIVSA-N 1 1 544.627 4.717 50 0 KJAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCc3ccc(F)cc3)C2)cc1OC ZINC000102307536 554909502 /nfs/dbraw/zinc/90/95/02/554909502.db2.gz ZWCIVKQHLKOFMW-IZZNHLLZSA-N 1 1 545.655 4.725 50 0 KJAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(OC)cc2OC)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102312061 554909736 /nfs/dbraw/zinc/90/97/36/554909736.db2.gz KEYQLHXPHXDSIW-HFZDXXHNSA-N 1 1 549.634 4.689 50 0 KJAAMO COC(=O)CC[C@H]1C[N@H+](Cc2ccc(OC)cc2OC)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102312061 554909735 /nfs/dbraw/zinc/90/97/35/554909735.db2.gz KEYQLHXPHXDSIW-HFZDXXHNSA-N 1 1 549.634 4.689 50 0 KJAAMO COc1cc(OC)cc(C(=O)N2CCCN(C(=O)[C@H](C)[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)c1 ZINC000102337421 554912944 /nfs/dbraw/zinc/91/29/44/554912944.db2.gz RHHFFIGCVYAZFR-PZGXJGMVSA-N 1 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/nfs/dbraw/zinc/22/20/41/1066222041.db2.gz SXAMPMCZKUGZLW-UHFFFAOYSA-N 1 1 574.669 4.650 50 0 KJAAMO CCOc1cc2nc(-c3ccc(OC)c(OC)c3)nc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2cc1OC ZINC000102452709 554933198 /nfs/dbraw/zinc/93/31/98/554933198.db2.gz JFXZPWPKCZYTTH-UHFFFAOYSA-N 1 1 558.635 4.772 50 0 KJAAMO Cc1ccc(-c2c([C@@H]3c4ccccc4C(=O)N3CC(=O)NCCC[NH+]3CCOCC3)c3ccccc3n2C)cc1 ZINC000102508339 554945583 /nfs/dbraw/zinc/94/55/83/554945583.db2.gz LYXBHCOHHIUOJN-YTTGMZPUSA-N 1 1 536.676 4.537 50 0 KJAAMO Cc1ccc(-c2c([C@H]3c4ccccc4C(=O)N3CC(=O)NCCC[NH+]3CCOCC3)c3ccccc3n2C)cc1 ZINC000102508343 554945544 /nfs/dbraw/zinc/94/55/44/554945544.db2.gz LYXBHCOHHIUOJN-JGCGQSQUSA-N 1 1 536.676 4.537 50 0 KJAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCCc3ccccc3)C2)cc1OC ZINC000102526377 554952205 /nfs/dbraw/zinc/95/22/05/554952205.db2.gz YVVGSTRLSMMXEM-WUFINQPMSA-N 1 1 541.692 4.628 50 0 KJAAMO Cc1ccc2nc(C[NH+](CCc3ccc(Cl)cc3Cl)Cc3cc(=O)n4cc(C)ccc4n3)cc(=O)n2c1 ZINC000102557728 554965513 /nfs/dbraw/zinc/96/55/13/554965513.db2.gz HQSXFUIDRSAKKZ-UHFFFAOYSA-N 1 1 534.447 4.871 50 0 KJAAMO O=C(Cn1cnc2ccccc21)N1CCC[C@H](COc2cccc(C[NH+]3CCN(c4ccccc4F)CC3)c2)C1 ZINC000102585110 1066223677 /nfs/dbraw/zinc/22/36/77/1066223677.db2.gz JMLRMHSPCRZQLX-SANMLTNESA-N 1 1 541.671 4.815 50 0 KJAAMO O=C(Cn1cnc2ccccc21)N1CCC[C@@H](COc2cccc(C[NH+]3CCN(c4ccccc4F)CC3)c2)C1 ZINC000102585112 1066224372 /nfs/dbraw/zinc/22/43/72/1066224372.db2.gz JMLRMHSPCRZQLX-AREMUKBSSA-N 1 1 541.671 4.815 50 0 KJAAMO COc1cc2[nH+]c(N(C)C)c(CN(CCc3ccc(F)cc3)C(=O)c3cc4c([nH]c3=O)CCCC4)cc2c(OC)c1OC ZINC000102592898 1066223960 /nfs/dbraw/zinc/22/39/60/1066223960.db2.gz ZIMCUTPMRAZHID-UHFFFAOYSA-N 1 1 588.680 4.918 50 0 KJAAMO COc1cc2[nH+]c(N(C)C)c(CN(CCc3ccc(F)cc3)C(=O)c3n[nH]c4c3CCC4)cc2c(OC)c1OC ZINC000102599567 1066223732 /nfs/dbraw/zinc/22/37/32/1066223732.db2.gz IPDDQHGCPJKLHF-UHFFFAOYSA-N 1 1 547.631 4.563 50 0 KJAAMO O=C(Cc1ccc(N2CCNC2=O)cc1)N1CCC[C@@H](COc2cccc(C[NH+]3CCN(c4ccccc4F)CC3)c2)C1 ZINC000102607098 1066224435 /nfs/dbraw/zinc/22/44/35/1066224435.db2.gz FFFXCOKYPDHTIF-MUUNZHRXSA-N 1 1 585.724 4.538 50 0 KJAAMO O=C(Cc1ccc(N2CCNC2=O)cc1)N1CCC[C@H](COc2cccc(C[NH+]3CCN(c4ccccc4F)CC3)c2)C1 ZINC000102607102 1066224664 /nfs/dbraw/zinc/22/46/64/1066224664.db2.gz FFFXCOKYPDHTIF-NDEPHWFRSA-N 1 1 585.724 4.538 50 0 KJAAMO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)N2CCC([N@@H+](C)C3CCCC3)CC2)CC1 ZINC000102612952 554982348 /nfs/dbraw/zinc/98/23/48/554982348.db2.gz KSFPRLGNJCJXFI-OUKQBFOZSA-N 1 1 554.757 4.728 50 0 KJAAMO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000102613018 554982254 /nfs/dbraw/zinc/98/22/54/554982254.db2.gz DVYLQTFUAZMZLQ-CCEZHUSRSA-N 1 1 542.746 4.633 50 0 KJAAMO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)N2CCC([N@@H+](C)C3CCCCC3)CC2)CC1 ZINC000102613529 554983115 /nfs/dbraw/zinc/98/31/15/554983115.db2.gz ZZHJUAUXBHPBTJ-OUKQBFOZSA-N 1 1 572.747 4.949 50 0 KJAAMO COc1ccc(/C=C/C(=O)N2CCC(Oc3cccc(C[NH+]4CCN(c5ccccn5)CC4)c3)CC2)cc1OC ZINC000102615604 1066224517 /nfs/dbraw/zinc/22/45/17/1066224517.db2.gz NNOOTLCIKNZPBI-ZRDIBKRKSA-N 1 1 542.680 4.504 50 0 KJAAMO C[N@@H+](Cc1cccc(OCCN2CCN(S(=O)(=O)c3cccs3)CC2)c1)Cc1cccc2ccccc21 ZINC000102625629 1066224617 /nfs/dbraw/zinc/22/46/17/1066224617.db2.gz HNJKLWKXJYQCLS-UHFFFAOYSA-N 1 1 535.735 4.919 50 0 KJAAMO O=C(CC[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)NC[C@@H]1CCCO1 ZINC000102656665 554999253 /nfs/dbraw/zinc/99/92/53/554999253.db2.gz PSVSJCIBYULYLS-OWPQXHQJSA-N 1 1 558.689 4.794 50 0 KJAAMO O=C(CC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)NC[C@@H]1CCCO1 ZINC000102656665 554999250 /nfs/dbraw/zinc/99/92/50/554999250.db2.gz PSVSJCIBYULYLS-OWPQXHQJSA-N 1 1 558.689 4.794 50 0 KJAAMO O=C(CC[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)NC[C@H]1CCCO1 ZINC000102656668 554999215 /nfs/dbraw/zinc/99/92/15/554999215.db2.gz PSVSJCIBYULYLS-RFYMFKDESA-N 1 1 558.689 4.794 50 0 KJAAMO O=C(CC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)NC[C@H]1CCCO1 ZINC000102656668 554999212 /nfs/dbraw/zinc/99/92/12/554999212.db2.gz PSVSJCIBYULYLS-RFYMFKDESA-N 1 1 558.689 4.794 50 0 KJAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)NCCc3c[nH]c4ccccc34)C2)cc1OC ZINC000102664077 555001107 /nfs/dbraw/zinc/00/11/07/555001107.db2.gz TUYREYQZMNZRIK-BJKOFHAPSA-N 1 1 558.654 4.760 50 0 KJAAMO C[N@@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)cc1 ZINC000102667288 1066224723 /nfs/dbraw/zinc/22/47/23/1066224723.db2.gz LZEHZVCGSOYDHY-UHFFFAOYSA-N 1 1 543.737 4.972 50 0 KJAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@@]2(c3ccc(C)c(C)c3NC2=O)[C@]12c1ccccc1NC2=O ZINC000102669545 555002398 /nfs/dbraw/zinc/00/23/98/555002398.db2.gz QEBRGKUXJSEWSI-IHAJHMTMSA-N 1 1 521.617 4.717 50 0 KJAAMO C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)NCCc2nc3ccccc3n2C)C1 ZINC000102669570 1066225197 /nfs/dbraw/zinc/22/51/97/1066225197.db2.gz 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COc1ccc(-c2nc(N3CC[NH+](Cc4ccc(F)cc4)CC3)nc3nn(-c4ccc(OC)cc4)c(N)c32)cc1 ZINC000103016341 555209561 /nfs/dbraw/zinc/20/95/61/555209561.db2.gz KOIVPWUWIFTTLK-UHFFFAOYSA-N 1 1 539.615 4.543 50 0 KJAAMO COc1ccc(C[NH+]2CCN(c3nc4nn(-c5ccc(OC)cc5)c(N)c4c(-c4cccc(F)c4)n3)CC2)cc1 ZINC000103016417 555209584 /nfs/dbraw/zinc/20/95/84/555209584.db2.gz NFFLFXOYNKPRIZ-UHFFFAOYSA-N 1 1 539.615 4.543 50 0 KJAAMO COc1ccc(C[NH+]2CCN(c3nc4nn(-c5ccc(OC)cc5)c(N)c4c(-c4cccc(F)c4F)n3)CC2)cc1 ZINC000103016479 555209655 /nfs/dbraw/zinc/20/96/55/555209655.db2.gz CYWVSNXPHMCTBH-UHFFFAOYSA-N 1 1 557.605 4.682 50 0 KJAAMO CC(=O)n1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@]3(C(=O)OCc4ccccc4)CCC[N@@H+]23)c2ccccc21 ZINC000103020719 555211850 /nfs/dbraw/zinc/21/18/50/555211850.db2.gz NFUKRLRCVZFCOA-OZLMZZSTSA-N 1 1 547.611 4.740 50 0 KJAAMO CC(=O)n1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@]3(C(=O)OCc4ccccc4)CCC[N@H+]23)c2ccccc21 ZINC000103020719 555211847 /nfs/dbraw/zinc/21/18/47/555211847.db2.gz 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555233676 /nfs/dbraw/zinc/23/36/76/555233676.db2.gz UUPBWYJPABSUPR-MHZLTWQESA-N 1 1 532.666 4.781 50 0 KJAAMO CCC1=C(C(=O)OC)[C@@H](c2cccc(Oc3ccccc3)c2)N2C(CC(=O)N3CC[NH+](C)CC3)=CSC2=N1 ZINC000103051286 555233656 /nfs/dbraw/zinc/23/36/56/555233656.db2.gz UUPBWYJPABSUPR-HHHXNRCGSA-N 1 1 532.666 4.781 50 0 KJAAMO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](C)CC3)N2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000103052789 555234527 /nfs/dbraw/zinc/23/45/27/555234527.db2.gz BCRZDKHBVYLLIN-MUUNZHRXSA-N 1 1 546.693 4.568 50 0 KJAAMO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](C)CC3)N2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000103052794 555234543 /nfs/dbraw/zinc/23/45/43/555234543.db2.gz BCRZDKHBVYLLIN-NDEPHWFRSA-N 1 1 546.693 4.568 50 0 KJAAMO O=C(NCCc1ccccn1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000103061662 555242812 /nfs/dbraw/zinc/24/28/12/555242812.db2.gz AFEVTPWGVDUURZ-AOYPEHQESA-N 1 1 529.006 4.976 50 0 KJAAMO O=C(NCCc1ccccn1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000103061664 555242874 /nfs/dbraw/zinc/24/28/74/555242874.db2.gz AFEVTPWGVDUURZ-AZGAKELHSA-N 1 1 529.006 4.976 50 0 KJAAMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2csc(Nc3cccc(Cl)c3Cl)n2)CC1 ZINC000103063667 555244474 /nfs/dbraw/zinc/24/44/74/555244474.db2.gz FAWQELXZHDRFHX-HXUWFJFHSA-N 1 1 532.497 4.699 50 0 KJAAMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2csc(Nc3cccc(Cl)c3Cl)n2)CC1 ZINC000103063669 555244465 /nfs/dbraw/zinc/24/44/65/555244465.db2.gz FAWQELXZHDRFHX-FQEVSTJZSA-N 1 1 532.497 4.699 50 0 KJAAMO O=C(CCCNC(=O)OCc1ccccc1)N1CC[NH+](Cc2ccc(-c3noc(-c4ccccc4)n3)cc2)CC1 ZINC000103075788 555255248 /nfs/dbraw/zinc/25/52/48/555255248.db2.gz VZPMFMRCYKQARR-UHFFFAOYSA-N 1 1 539.636 4.754 50 0 KJAAMO Cc1ccc2c(c1)OCC(=O)N2Cc1nc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cs1 ZINC000103085437 555264061 /nfs/dbraw/zinc/26/40/61/555264061.db2.gz HFPGGQXCOWGXDV-UHFFFAOYSA-N 1 1 538.673 4.925 50 0 KJAAMO COc1ccc(N(C2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000103089883 555268935 /nfs/dbraw/zinc/26/89/35/555268935.db2.gz ZUAKZAYAZLJHAO-UHFFFAOYSA-N 1 1 574.671 4.729 50 0 KJAAMO CCN1C2=C(C(=O)N([C@@H](C(=O)N3CC[NH+](CC)CC3)c3ccccc3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000103133215 555302800 /nfs/dbraw/zinc/30/28/00/555302800.db2.gz XGFYPFQGVLFHEW-IOWSJCHKSA-N 1 1 579.701 4.567 50 0 KJAAMO CCN1C2=C(C(=O)N([C@H](C(=O)N3CC[NH+](CC)CC3)c3ccccc3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000103133217 555302882 /nfs/dbraw/zinc/30/28/82/555302882.db2.gz XGFYPFQGVLFHEW-CONSDPRKSA-N 1 1 579.701 4.567 50 0 KJAAMO CCN1C2=C(C(=O)N([C@@H](C(=O)N3CC[NH+](CC)CC3)c3ccccc3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000103133220 555302806 /nfs/dbraw/zinc/30/28/06/555302806.db2.gz XGFYPFQGVLFHEW-FIRIVFDPSA-N 1 1 579.701 4.567 50 0 KJAAMO CCN1C2=C(C(=O)N([C@H](C(=O)N3CC[NH+](CC)CC3)c3ccccc3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000103133221 555302840 /nfs/dbraw/zinc/30/28/40/555302840.db2.gz XGFYPFQGVLFHEW-JSOSNVBQSA-N 1 1 579.701 4.567 50 0 KJAAMO COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](Cc4ccc(C)cc4)CC3)N2[C@H]1c1ccsc1 ZINC000103149136 555315569 /nfs/dbraw/zinc/31/55/69/555315569.db2.gz KLPOUKCQPYUQJC-VWLOTQADSA-N 1 1 522.696 4.539 50 0 KJAAMO COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](Cc4ccc(C)cc4)CC3)N2[C@@H]1c1ccsc1 ZINC000103149138 555315556 /nfs/dbraw/zinc/31/55/56/555315556.db2.gz KLPOUKCQPYUQJC-RUZDIDTESA-N 1 1 522.696 4.539 50 0 KJAAMO CC[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000103163998 555322166 /nfs/dbraw/zinc/32/21/66/555322166.db2.gz OLBFWVBETNUSOK-QHCPKHFHSA-N 1 1 578.760 4.822 50 0 KJAAMO CC[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2S(=O)(=O)N[C@H](C)c2ccccc2)CC1 ZINC000103164001 555322154 /nfs/dbraw/zinc/32/21/54/555322154.db2.gz OLBFWVBETNUSOK-HSZRJFAPSA-N 1 1 578.760 4.822 50 0 KJAAMO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](CCc4ccccc4)CC3)N2[C@@H]1c1ccccc1C ZINC000103168227 555324072 /nfs/dbraw/zinc/32/40/72/555324072.db2.gz WGOJIOJABWYBGY-GDLZYMKVSA-N 1 1 544.721 4.910 50 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0 KJAAMO COc1cc(C[NH+]2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc(OC)c1 ZINC000103255461 555345462 /nfs/dbraw/zinc/34/54/62/555345462.db2.gz HVAOSJXOGPKBHC-UHFFFAOYSA-N 1 1 545.057 4.946 50 0 KJAAMO COc1cc(C[NH+]2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1O ZINC000103255493 555345762 /nfs/dbraw/zinc/34/57/62/555345762.db2.gz SAZYIDMUENRECL-UHFFFAOYSA-N 1 1 531.030 4.643 50 0 KJAAMO COc1ccc(C[NH+]2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000103255535 555345729 /nfs/dbraw/zinc/34/57/29/555345729.db2.gz RRQHYPKXHFZIED-UHFFFAOYSA-N 1 1 545.057 4.946 50 0 KJAAMO COc1cccc(N(C2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000103255575 555345748 /nfs/dbraw/zinc/34/57/48/555345748.db2.gz JPEWPNGISVJORX-UHFFFAOYSA-N 1 1 540.682 4.889 50 0 KJAAMO COc1ccc(C[NH+]2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(Cl)cc3)CC2)c(OC)c1OC ZINC000103255588 555345754 /nfs/dbraw/zinc/34/57/54/555345754.db2.gz VERSLHWXJDIAPK-UHFFFAOYSA-N 1 1 575.083 4.954 50 0 KJAAMO 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QGEDBRHFAANVLU-PMERELPUSA-N 1 1 542.680 4.598 50 0 KJAAMO CCOc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000103283522 555352155 /nfs/dbraw/zinc/35/21/55/555352155.db2.gz QGEDBRHFAANVLU-SSEXGKCCSA-N 1 1 542.680 4.598 50 0 KJAAMO COc1ccc(NC(=O)C2=C(C)N=C3SC=C(CC(=O)N4CC[NH+](C)CC4)N3[C@H]2c2cccc(Cl)c2)cc1 ZINC000103283746 555352071 /nfs/dbraw/zinc/35/20/71/555352071.db2.gz KIRMFVGFAJLTGI-SANMLTNESA-N 1 1 552.100 4.726 50 0 KJAAMO COc1ccc(NC(=O)C2=C(C)N=C3SC=C(CC(=O)N4CC[NH+](C)CC4)N3[C@@H]2c2cccc(Cl)c2)cc1 ZINC000103283751 555352043 /nfs/dbraw/zinc/35/20/43/555352043.db2.gz KIRMFVGFAJLTGI-AREMUKBSSA-N 1 1 552.100 4.726 50 0 KJAAMO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CC[NH+](C)CC3)N2[C@@H]1c1cccc(Cl)c1 ZINC000103297624 555355175 /nfs/dbraw/zinc/35/51/75/555355175.db2.gz AYXSWSGGQPHOEY-AREMUKBSSA-N 1 1 537.085 4.779 50 0 KJAAMO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CC[NH+](C)CC3)N2[C@H]1c1cccc(Cl)c1 ZINC000103297628 555355059 /nfs/dbraw/zinc/35/50/59/555355059.db2.gz AYXSWSGGQPHOEY-SANMLTNESA-N 1 1 537.085 4.779 50 0 KJAAMO COc1cc(C[NH+]2CCC(N(c3ccc(OC)c(OC)c3)S(=O)(=O)c3ccc(F)cc3)CC2)cc(OC)c1 ZINC000103301900 555355797 /nfs/dbraw/zinc/35/57/97/555355797.db2.gz PWSHOWOEJUJMKH-UHFFFAOYSA-N 1 1 544.645 4.720 50 0 KJAAMO COc1ccc(C[NH+]2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(C)cc3)CC2)c(OC)c1OC ZINC000103305566 555356056 /nfs/dbraw/zinc/35/60/56/555356056.db2.gz ZFZGBPOUMMRAOF-UHFFFAOYSA-N 1 1 554.665 4.609 50 0 KJAAMO C[NH+](C)CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C(=O)c1cccc(Cl)c1 ZINC000103306170 555356431 /nfs/dbraw/zinc/35/64/31/555356431.db2.gz VASNLONFFMZKJG-UHFFFAOYSA-N 1 1 551.112 4.763 50 0 KJAAMO COc1ccc(C[NH+]2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3cccc(C)c3)CC2)c(OC)c1OC ZINC000103309341 555357857 /nfs/dbraw/zinc/35/78/57/555357857.db2.gz PBZHDXPUXCJJLZ-UHFFFAOYSA-N 1 1 554.665 4.609 50 0 KJAAMO COc1ccc(N(C2CC[NH+](Cc3cccc(OC)c3OC)CC2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000103310125 555357833 /nfs/dbraw/zinc/35/78/33/555357833.db2.gz DFNFEOHPXLBZNI-UHFFFAOYSA-N 1 1 544.645 4.720 50 0 KJAAMO COc1ccc(N(C2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)S(=O)(=O)c2ccccc2)cc1OC ZINC000103310196 555357822 /nfs/dbraw/zinc/35/78/22/555357822.db2.gz VTXRUQPWEFSOKK-UHFFFAOYSA-N 1 1 556.681 4.590 50 0 KJAAMO CC[NH+]1CCN(C(=O)c2ccc(Nc3c(Oc4ccc(F)cc4)cnn(-c4ccc(F)cc4)c3=O)cc2)CC1 ZINC000103324796 555358996 /nfs/dbraw/zinc/35/89/96/555358996.db2.gz VAPXPKSIQSQAFJ-UHFFFAOYSA-N 1 1 531.563 4.824 50 0 KJAAMO COc1ccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(F)cc3)CC2)c(OC)c1OC ZINC000103347638 555362538 /nfs/dbraw/zinc/36/25/38/555362538.db2.gz XIPSERSPQWTTRI-UHFFFAOYSA-N 1 1 532.609 4.851 50 0 KJAAMO CCc1cc(N2CCN(c3ccccc3Cl)CC2)nc(SCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)n1 ZINC000103403350 555389431 /nfs/dbraw/zinc/38/94/31/555389431.db2.gz UBXYCNYBMOZNNW-UHFFFAOYSA-N 1 1 551.160 4.699 50 0 KJAAMO CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(Cl)c2)N2C(CC(=O)N3CC[NH+](C)CC3)=CSC2=N1 ZINC000103408204 555393695 /nfs/dbraw/zinc/39/36/95/555393695.db2.gz LPUNZXMSXQURPM-SANMLTNESA-N 1 1 537.085 4.822 50 0 KJAAMO CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Cl)c2)N2C(CC(=O)N3CC[NH+](C)CC3)=CSC2=N1 ZINC000103408205 555393767 /nfs/dbraw/zinc/39/37/67/555393767.db2.gz LPUNZXMSXQURPM-AREMUKBSSA-N 1 1 537.085 4.822 50 0 KJAAMO COc1ccc(C[NH+]2CCN(c3nc4nn(Cc5ccccc5)c(N)c4c(-c4ccc(OC)cc4F)n3)CC2)cc1 ZINC000103426305 555407714 /nfs/dbraw/zinc/40/77/14/555407714.db2.gz MSINTTMCWYRLPI-UHFFFAOYSA-N 1 1 553.642 4.602 50 0 KJAAMO COc1ccc(C[NH+]2CCN(c3nc4nn(-c5cccc(F)c5)c(N)c4c(-c4ccc(OC)c(OC)c4)n3)CC2)cc1 ZINC000103426316 555407735 /nfs/dbraw/zinc/40/77/35/555407735.db2.gz UDOWUDGXUOFMCG-UHFFFAOYSA-N 1 1 569.641 4.552 50 0 KJAAMO COc1ccc(-c2nc(N3CC[NH+](Cc4ccc(F)cc4)CC3)nc3nn(Cc4ccccc4)c(N)c32)c(F)c1 ZINC000103426428 555407669 /nfs/dbraw/zinc/40/76/69/555407669.db2.gz VUSBJYAXESVNCI-UHFFFAOYSA-N 1 1 541.606 4.733 50 0 KJAAMO COc1ccc(-c2nc(N3CC[NH+](Cc4ccc(F)cc4)CC3)nc3nn(-c4cccc(F)c4)c(N)c32)cc1OC ZINC000103426453 555407603 /nfs/dbraw/zinc/40/76/03/555407603.db2.gz BILCXKZYUKPIPE-UHFFFAOYSA-N 1 1 557.605 4.682 50 0 KJAAMO CCOC(=O)CCC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000103431709 555413570 /nfs/dbraw/zinc/41/35/70/555413570.db2.gz FUCIRFCOORIZAL-YTTGMZPUSA-N 1 1 642.797 4.845 50 0 KJAAMO CCOC(=O)CCC(=O)NCCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000103431711 555413542 /nfs/dbraw/zinc/41/35/42/555413542.db2.gz FUCIRFCOORIZAL-JGCGQSQUSA-N 1 1 642.797 4.845 50 0 KJAAMO CC[NH+]1CCN(C(=O)c2cccc(CSc3nnc(Cc4ccccc4)n3-c3ccc(OC)cc3)c2)CC1 ZINC000103484612 555421120 /nfs/dbraw/zinc/42/11/20/555421120.db2.gz LIMHVHUURDOBCG-UHFFFAOYSA-N 1 1 527.694 4.937 50 0 KJAAMO COc1ccc(C[C@@]2(C[N@H+]3CCc4cc(OC)c(OC)cc4[C@H]3C)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000103512346 555422294 /nfs/dbraw/zinc/42/22/94/555422294.db2.gz RPOCLRMLCJYPNM-PLTNMMHCSA-N 1 1 543.620 4.984 50 0 KJAAMO COc1ccc(C[C@@]2(C[N@@H+]3CCc4cc(OC)c(OC)cc4[C@H]3C)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000103512346 555422292 /nfs/dbraw/zinc/42/22/92/555422292.db2.gz RPOCLRMLCJYPNM-PLTNMMHCSA-N 1 1 543.620 4.984 50 0 KJAAMO COc1cc(NC(=O)C(C)(C)N(C[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C(=O)c2cc(OC)cc(OC)c2)cc(OC)c1 ZINC000103578539 555450956 /nfs/dbraw/zinc/45/09/56/555450956.db2.gz NNEKNKRPIKOYEZ-KMRXNPHXSA-N 1 1 553.700 4.845 50 0 KJAAMO COc1cc(NC(=O)C(C)(C)N(C[C@H]2CCC[N@H+]3CCCC[C@@H]23)C(=O)c2cc(OC)cc(OC)c2)cc(OC)c1 ZINC000103578543 555450990 /nfs/dbraw/zinc/45/09/90/555450990.db2.gz NNEKNKRPIKOYEZ-PIKZIKFNSA-N 1 1 553.700 4.845 50 0 KJAAMO CC[N@@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000103579837 555451245 /nfs/dbraw/zinc/45/12/45/555451245.db2.gz GUOUPJRUUYCXRS-VMPREFPWSA-N 1 1 517.645 4.781 50 0 KJAAMO CC[N@@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000103579844 555451287 /nfs/dbraw/zinc/45/12/87/555451287.db2.gz GUOUPJRUUYCXRS-WDYNHAJCSA-N 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Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000107176354 571419865 /nfs/dbraw/zinc/41/98/65/571419865.db2.gz DOBHVABSGZTJFD-ORQYLMBXSA-N 1 1 524.326 4.752 50 0 KJAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000107176354 571419864 /nfs/dbraw/zinc/41/98/64/571419864.db2.gz DOBHVABSGZTJFD-ORQYLMBXSA-N 1 1 524.326 4.752 50 0 KJAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000107176358 571419834 /nfs/dbraw/zinc/41/98/34/571419834.db2.gz DOBHVABSGZTJFD-FXKZBUDASA-N 1 1 524.326 4.752 50 0 KJAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000107176358 571419833 /nfs/dbraw/zinc/41/98/33/571419833.db2.gz DOBHVABSGZTJFD-FXKZBUDASA-N 1 1 524.326 4.752 50 0 KJAAMO CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000108522858 571426096 /nfs/dbraw/zinc/42/60/96/571426096.db2.gz GCSFJKUUFZLWCQ-HUULLNBQSA-N 1 1 569.459 4.529 50 0 KJAAMO CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000108522880 571426162 /nfs/dbraw/zinc/42/61/62/571426162.db2.gz QKVFMUSRIBHIJA-PDRGBRDOSA-N 1 1 540.623 4.920 50 0 KJAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000108523079 571426141 /nfs/dbraw/zinc/42/61/41/571426141.db2.gz XFMFTOKPFCFGTG-UUZIFAJNSA-N 1 1 526.596 4.530 50 0 KJAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]12 ZINC000108523118 571426076 /nfs/dbraw/zinc/42/60/76/571426076.db2.gz YWZHRYBPRQRKJJ-UUZIFAJNSA-N 1 1 526.596 4.530 50 0 KJAAMO Cc1nn(C)c(C)c1CN1C(=O)c2cccc(N3CC[NH+](Cc4cccc(Oc5ccccc5)c4)CC3)c2C1=O ZINC000109897630 1066470869 /nfs/dbraw/zinc/47/08/69/1066470869.db2.gz BMFKHAQJXBNYDO-UHFFFAOYSA-N 1 1 535.648 4.948 50 0 KJAAMO 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571483460 /nfs/dbraw/zinc/48/34/60/571483460.db2.gz PTNOMTMZMWBHOP-BQRNWKATSA-N 1 1 649.744 4.886 50 0 KJAAMO COc1ccc(C(C2C(=O)NC(=O)[C@@H](c3ccc(C)cc3)C2=O)C2C(=O)NC(=O)[C@@H](c3ccc(C)cc3)C2=O)cc1C[NH+]1CCCCC1 ZINC000150410997 571483402 /nfs/dbraw/zinc/48/34/02/571483402.db2.gz PTNOMTMZMWBHOP-KYJUHHDHSA-N 1 1 649.744 4.886 50 0 KJAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OCC)cc3)N(CCC[NH+]3CCN(Cc4ccccc4)CC3)C2=S)cc1 ZINC000150414410 571485193 /nfs/dbraw/zinc/48/51/93/571485193.db2.gz IRUIPYXCRSMSBU-JGCGQSQUSA-N 1 1 657.837 4.801 50 0 KJAAMO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OCC)cc3)N(CCC[NH+]3CCN(Cc4ccccc4)CC3)C2=S)cc1 ZINC000150414415 571485158 /nfs/dbraw/zinc/48/51/58/571485158.db2.gz IRUIPYXCRSMSBU-YTTGMZPUSA-N 1 1 657.837 4.801 50 0 KJAAMO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000150414421 571485147 /nfs/dbraw/zinc/48/51/47/571485147.db2.gz JCYLJGYAJNFQNJ-YTTGMZPUSA-N 1 1 657.837 4.801 50 0 KJAAMO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000150414428 571485161 /nfs/dbraw/zinc/48/51/61/571485161.db2.gz JCYLJGYAJNFQNJ-JGCGQSQUSA-N 1 1 657.837 4.801 50 0 KJAAMO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000150414435 571485072 /nfs/dbraw/zinc/48/50/72/571485072.db2.gz IDZIMMNGKPYCRB-JGCGQSQUSA-N 1 1 685.847 4.579 50 0 KJAAMO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000150414443 571485030 /nfs/dbraw/zinc/48/50/30/571485030.db2.gz IDZIMMNGKPYCRB-YTTGMZPUSA-N 1 1 685.847 4.579 50 0 KJAAMO CC[N@@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000150416910 571486184 /nfs/dbraw/zinc/48/61/84/571486184.db2.gz GTBJPQVRTNBVIN-QRHBHCOUSA-N 1 1 649.630 4.899 50 0 KJAAMO CC[N@@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000150416916 571486140 /nfs/dbraw/zinc/48/61/40/571486140.db2.gz GTBJPQVRTNBVIN-LNVHHCMDSA-N 1 1 649.630 4.899 50 0 KJAAMO CCOc1cc(CC2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000150427411 571491542 /nfs/dbraw/zinc/49/15/42/571491542.db2.gz FISMYCCFHQOSAK-RPWUZVMVSA-N 1 1 667.590 4.831 50 0 KJAAMO O[C@@H](COc1ccc(Br)cc1Br)C[NH+]1CCN(C[C@H](O)COc2ccc(Br)cc2Br)CC1 ZINC000150611594 571523097 /nfs/dbraw/zinc/52/30/97/571523097.db2.gz WTXHUJHBOPKXJC-HDICACEKSA-N 1 1 702.076 4.534 50 0 KJAAMO O[C@@H](COc1ccc(Br)cc1Br)CN1CC[NH+](C[C@H](O)COc2ccc(Br)cc2Br)CC1 ZINC000150611594 571523094 /nfs/dbraw/zinc/52/30/94/571523094.db2.gz WTXHUJHBOPKXJC-HDICACEKSA-N 1 1 702.076 4.534 50 0 KJAAMO O[C@H](COc1ccc(Br)cc1Br)CN1CC[NH+](C[C@H](O)COc2ccc(Br)cc2Br)CC1 ZINC000150611599 571522998 /nfs/dbraw/zinc/52/29/98/571522998.db2.gz WTXHUJHBOPKXJC-ROUUACIJSA-N 1 1 702.076 4.534 50 0 KJAAMO O[C@@H](COc1ccc(Br)cc1Br)CN1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2Br)CC1 ZINC000150611602 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521.253 4.612 50 0 KJAAMO O=C(CC[NH+]1CCOCC1)N1N=C(c2cccc(Br)c2)C[C@@H]1c1ccc(Br)cc1 ZINC000170619439 571562468 /nfs/dbraw/zinc/56/24/68/571562468.db2.gz ROSLMIKYTPNZEP-OAQYLSRUSA-N 1 1 521.253 4.612 50 0 KJAAMO C[N@H+]1CCCN(S(=O)(=O)c2nc(-c3ccc(Br)cc3)oc2-c2ccc(Cl)cc2)CC1 ZINC000170623627 1066474848 /nfs/dbraw/zinc/47/48/48/1066474848.db2.gz INYMAUWZTVOMEF-UHFFFAOYSA-N 1 1 510.841 4.751 50 0 KJAAMO C[N@@H+]1CCCN(S(=O)(=O)c2nc(-c3ccc(Br)cc3)oc2-c2ccc(Cl)cc2)CC1 ZINC000170623627 1066474842 /nfs/dbraw/zinc/47/48/42/1066474842.db2.gz INYMAUWZTVOMEF-UHFFFAOYSA-N 1 1 510.841 4.751 50 0 KJAAMO O=C(NCCN1CCOCC1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000200502859 1066505702 /nfs/dbraw/zinc/50/57/02/1066505702.db2.gz YICUCGNNLPTNNX-RPLLCQBOSA-N 1 1 555.641 4.824 50 0 KJAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2ccc3c(c2)OCO3)C[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000200545135 1066505681 /nfs/dbraw/zinc/50/56/81/1066505681.db2.gz QREZDLAKAAOPJJ-LOSJGSFVSA-N 1 1 550.659 4.779 50 0 KJAAMO O=C(NCCN1CCNC1=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000200596559 1066505793 /nfs/dbraw/zinc/50/57/93/1066505793.db2.gz JBHDXHCRHVBBSE-WIOPSUGQSA-N 1 1 554.613 4.517 50 0 KJAAMO CC[C@@H]1CCCC[N@H+]1CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000225420968 571788214 /nfs/dbraw/zinc/78/82/14/571788214.db2.gz OZEFJHJIZICZPC-UFSCWTOFSA-N 1 1 576.782 4.613 50 0 KJAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]21 ZINC000226844118 572143527 /nfs/dbraw/zinc/14/35/27/572143527.db2.gz YWZHRYBPRQRKJJ-XAEBNIDXSA-N 1 1 526.596 4.530 50 0 KJAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]21 ZINC000226844186 572143568 /nfs/dbraw/zinc/14/35/68/572143568.db2.gz XFMFTOKPFCFGTG-XAEBNIDXSA-N 1 1 526.596 4.530 50 0 KJAAMO CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]21 ZINC000226845881 572143376 /nfs/dbraw/zinc/14/33/76/572143376.db2.gz QKVFMUSRIBHIJA-DFBDWLKHSA-N 1 1 540.623 4.920 50 0 KJAAMO CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 ZINC000226845912 572143315 /nfs/dbraw/zinc/14/33/15/572143315.db2.gz GCSFJKUUFZLWCQ-YBLWUUOLSA-N 1 1 569.459 4.529 50 0 KJAAMO O=C1[C@@H]2[C@H](C(=O)N1c1cc(Cl)ccc1Cl)[C@@H]1CCC[N@H+]1[C@@]21c2ccccc2-n2c1nc1ccccc1c2=O ZINC000226932174 572146112 /nfs/dbraw/zinc/14/61/12/572146112.db2.gz JSQUVSBDJKAQBK-XSKUOYIVSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@@H]2[C@H](C(=O)N1c1cc(Cl)ccc1Cl)[C@@H]1CCC[N@@H+]1[C@@]21c2ccccc2-n2c1nc1ccccc1c2=O ZINC000226932174 572146109 /nfs/dbraw/zinc/14/61/09/572146109.db2.gz JSQUVSBDJKAQBK-XSKUOYIVSA-N 1 1 543.410 4.533 50 0 KJAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000229611917 572156383 /nfs/dbraw/zinc/15/63/83/572156383.db2.gz JVKNTDSYNORIEP-YAGSXNBFSA-N 1 1 558.034 4.680 50 0 KJAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000229611917 572156378 /nfs/dbraw/zinc/15/63/78/572156378.db2.gz JVKNTDSYNORIEP-YAGSXNBFSA-N 1 1 558.034 4.680 50 0 KJAAMO O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000229613599 572156457 /nfs/dbraw/zinc/15/64/57/572156457.db2.gz ZCXXUEHMDPRKLK-KIHHCIJBSA-N 1 1 514.379 4.603 50 0 KJAAMO O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000229613599 572156453 /nfs/dbraw/zinc/15/64/53/572156453.db2.gz ZCXXUEHMDPRKLK-KIHHCIJBSA-N 1 1 514.379 4.603 50 0 KJAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000229620722 572157558 /nfs/dbraw/zinc/15/75/58/572157558.db2.gz RGOIEQIXJJUYKS-YAGSXNBFSA-N 1 1 558.034 4.680 50 0 KJAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000229620722 572157556 /nfs/dbraw/zinc/15/75/56/572157556.db2.gz RGOIEQIXJJUYKS-YAGSXNBFSA-N 1 1 558.034 4.680 50 0 KJAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000229894182 572166046 /nfs/dbraw/zinc/16/60/46/572166046.db2.gz OPAFFMVFAQXOMY-XITLKHQFSA-N 1 1 524.326 4.752 50 0 KJAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000229894182 572166045 /nfs/dbraw/zinc/16/60/45/572166045.db2.gz OPAFFMVFAQXOMY-XITLKHQFSA-N 1 1 524.326 4.752 50 0 KJAAMO CC(=O)n1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@]3(C(=O)OCc4ccccc4)CCC[N@@H+]23)c2ccccc21 ZINC000230044286 572181088 /nfs/dbraw/zinc/18/10/88/572181088.db2.gz NFUKRLRCVZFCOA-HKFRAXQBSA-N 1 1 547.611 4.740 50 0 KJAAMO CC(=O)n1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@]3(C(=O)OCc4ccccc4)CCC[N@H+]23)c2ccccc21 ZINC000230044286 572181084 /nfs/dbraw/zinc/18/10/84/572181084.db2.gz NFUKRLRCVZFCOA-HKFRAXQBSA-N 1 1 547.611 4.740 50 0 KJAAMO CC[N@@H+](CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000230068428 572182371 /nfs/dbraw/zinc/18/23/71/572182371.db2.gz OGTXQGWCGVKKBD-CONSDPRKSA-N 1 1 575.706 4.660 50 0 KJAAMO CC[N@@H+](CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000230068437 572182428 /nfs/dbraw/zinc/18/24/28/572182428.db2.gz OGTXQGWCGVKKBD-JSOSNVBQSA-N 1 1 575.706 4.660 50 0 KJAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+]2CCN(c3cccc(C)c3)[C@@H](C)C2)[C@H]1c1cccs1 ZINC000230076415 572182667 /nfs/dbraw/zinc/18/26/67/572182667.db2.gz CNDZFDGPXXKIIO-QZFRTWIZSA-N 1 1 560.764 4.701 50 0 KJAAMO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000230077638 572182848 /nfs/dbraw/zinc/18/28/48/572182848.db2.gz FWWIJJHVQMKHDW-LZBZAAENSA-N 1 1 539.742 4.820 50 0 KJAAMO CCCC[N@@H+](CC)CCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(SC)cc1 ZINC000230077657 572182556 /nfs/dbraw/zinc/18/25/56/572182556.db2.gz WGGRPTGUNCWWHC-UIOOFZCWSA-N 1 1 513.704 4.574 50 0 KJAAMO CCCC[N@@H+](CC)CCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(SC)cc1 ZINC000230077663 572182548 /nfs/dbraw/zinc/18/25/48/572182548.db2.gz WGGRPTGUNCWWHC-FTJBHMTQSA-N 1 1 513.704 4.574 50 0 KJAAMO Cc1ccc(-c2nc3sc(N(C)CC(=O)NCCC[N@@H+]4CCCC[C@H]4C)nn3c2NC(C)(C)C)cc1 ZINC000230095847 572183431 /nfs/dbraw/zinc/18/34/31/572183431.db2.gz YITFXEQZEFRMHX-HXUWFJFHSA-N 1 1 511.740 4.794 50 0 KJAAMO O=C1[C@@H]2[C@H](C(=O)N1c1cc(Cl)ccc1Cl)[C@@H]1CCC[N@H+]1[C@]21c2ccccc2-n2c1nc1ccccc1c2=O ZINC000230190069 572185013 /nfs/dbraw/zinc/18/50/13/572185013.db2.gz JSQUVSBDJKAQBK-PTCCMZDBSA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@@H]2[C@H](C(=O)N1c1cc(Cl)ccc1Cl)[C@@H]1CCC[N@@H+]1[C@]21c2ccccc2-n2c1nc1ccccc1c2=O ZINC000230190069 572185010 /nfs/dbraw/zinc/18/50/10/572185010.db2.gz JSQUVSBDJKAQBK-PTCCMZDBSA-N 1 1 543.410 4.533 50 0 KJAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C)[C@@H]3c3cccs3)C[C@H]2C)c1 ZINC000245228486 572204942 /nfs/dbraw/zinc/20/49/42/572204942.db2.gz AEJGEXGPOFVQGY-MWVDVNALSA-N 1 1 516.711 4.684 50 0 KJAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C)[C@H]3c3cccs3)C[C@H]2C)c1 ZINC000245228487 572204922 /nfs/dbraw/zinc/20/49/22/572204922.db2.gz AEJGEXGPOFVQGY-OFEZKSIWSA-N 1 1 516.711 4.684 50 0 KJAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C)[C@H]3c3cccs3)C[C@@H]2C)c1 ZINC000245228488 572205344 /nfs/dbraw/zinc/20/53/44/572205344.db2.gz AEJGEXGPOFVQGY-ZGOJTZKKSA-N 1 1 516.711 4.684 50 0 KJAAMO C[C@@H]1CCC[C@@H]([N@@H+](CCCNC(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)Cc2ccco2)[C@H]1C ZINC000245236746 572210506 /nfs/dbraw/zinc/21/05/06/572210506.db2.gz VPGCDAFMBQRQMQ-FSGGQHMVSA-N 1 1 541.696 4.809 50 0 KJAAMO C[C@@H]1CCC[C@H]([N@@H+](CCCNC(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)Cc2ccco2)[C@H]1C ZINC000245236749 572210535 /nfs/dbraw/zinc/21/05/35/572210535.db2.gz VPGCDAFMBQRQMQ-QEGDFHJFSA-N 1 1 541.696 4.809 50 0 KJAAMO CCc1ccc(-c2nc3sc(N(C)CC(=O)NCC[N@H+]4CCCC[C@H]4C)nn3c2NC(C)(C)C)cc1 ZINC000245238160 572211510 /nfs/dbraw/zinc/21/15/10/572211510.db2.gz ZOPHNQAKAFQNFV-LJQANCHMSA-N 1 1 511.740 4.657 50 0 KJAAMO O=C(c1nn2c(c1Cl)N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000245238579 572212401 /nfs/dbraw/zinc/21/24/01/572212401.db2.gz UTDNFSHITUPIRW-HRCADAONSA-N 1 1 532.792 4.880 50 0 KJAAMO O=C1[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl ZINC000245240020 572213568 /nfs/dbraw/zinc/21/35/68/572213568.db2.gz JSQUVSBDJKAQBK-GRDDUQFASA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl ZINC000245240020 572213567 /nfs/dbraw/zinc/21/35/67/572213567.db2.gz JSQUVSBDJKAQBK-GRDDUQFASA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl ZINC000245240023 572213493 /nfs/dbraw/zinc/21/34/93/572213493.db2.gz JSQUVSBDJKAQBK-JLOCYCDASA-N 1 1 543.410 4.533 50 0 KJAAMO O=C1[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl ZINC000245240023 572213490 /nfs/dbraw/zinc/21/34/90/572213490.db2.gz JSQUVSBDJKAQBK-JLOCYCDASA-N 1 1 543.410 4.533 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000245246464 572219225 /nfs/dbraw/zinc/21/92/25/572219225.db2.gz MEUGUJJXQASHQF-POTDNYQPSA-N 1 1 561.516 4.631 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000245246464 572219223 /nfs/dbraw/zinc/21/92/23/572219223.db2.gz MEUGUJJXQASHQF-POTDNYQPSA-N 1 1 561.516 4.631 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000245246466 572219404 /nfs/dbraw/zinc/21/94/04/572219404.db2.gz MEUGUJJXQASHQF-XPGKHFPBSA-N 1 1 561.516 4.631 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000245246466 572219401 /nfs/dbraw/zinc/21/94/01/572219401.db2.gz MEUGUJJXQASHQF-XPGKHFPBSA-N 1 1 561.516 4.631 50 0 KJAAMO CC(=O)n1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@]3(C(=O)OCc4ccccc4)CCC[N@@H+]23)c2ccccc21 ZINC000245256065 572222535 /nfs/dbraw/zinc/22/25/35/572222535.db2.gz NFUKRLRCVZFCOA-LNHQPZRBSA-N 1 1 547.611 4.740 50 0 KJAAMO CC(=O)n1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@]3(C(=O)OCc4ccccc4)CCC[N@H+]23)c2ccccc21 ZINC000245256065 572222530 /nfs/dbraw/zinc/22/25/30/572222530.db2.gz NFUKRLRCVZFCOA-LNHQPZRBSA-N 1 1 547.611 4.740 50 0 KJAAMO O=C(OCc1ccccc1)[C@]12CCC[N@H+]1[C@@H](c1ccc3ccccc3n1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000245256973 572222566 /nfs/dbraw/zinc/22/25/66/572222566.db2.gz VDIVWQCPHRJJKY-BQUCCUTGSA-N 1 1 517.585 4.673 50 0 KJAAMO O=C(OCc1ccccc1)[C@]12CCC[N@@H+]1[C@@H](c1ccc3ccccc3n1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000245256973 572222562 /nfs/dbraw/zinc/22/25/62/572222562.db2.gz VDIVWQCPHRJJKY-BQUCCUTGSA-N 1 1 517.585 4.673 50 0 KJAAMO O=C(OCc1ccccc1)[C@@]12CCC[N@H+]1[C@@H](c1ccc3ccccc3n1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000245256974 572222717 /nfs/dbraw/zinc/22/27/17/572222717.db2.gz VDIVWQCPHRJJKY-OAJQQGRKSA-N 1 1 517.585 4.673 50 0 KJAAMO O=C(OCc1ccccc1)[C@@]12CCC[N@@H+]1[C@@H](c1ccc3ccccc3n1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000245256974 572222713 /nfs/dbraw/zinc/22/27/13/572222713.db2.gz VDIVWQCPHRJJKY-OAJQQGRKSA-N 1 1 517.585 4.673 50 0 KJAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H]1CCCO1 ZINC000245280851 572224727 /nfs/dbraw/zinc/22/47/27/572224727.db2.gz UQDDDSGRTQNTFO-DHIUTWEWSA-N 1 1 501.574 4.630 50 0 KJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H]1CCCO1 ZINC000245280851 572224723 /nfs/dbraw/zinc/22/47/23/572224723.db2.gz UQDDDSGRTQNTFO-DHIUTWEWSA-N 1 1 501.574 4.630 50 0 KJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H]1CCCO1 ZINC000245280852 572224561 /nfs/dbraw/zinc/22/45/61/572224561.db2.gz UQDDDSGRTQNTFO-XZOQPEGZSA-N 1 1 501.574 4.630 50 0 KJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H]1CCCO1 ZINC000245280852 572224560 /nfs/dbraw/zinc/22/45/60/572224560.db2.gz UQDDDSGRTQNTFO-XZOQPEGZSA-N 1 1 501.574 4.630 50 0 KJAAMO COc1cccc(Oc2c(C[N@@H+](C[C@@H](O)COC(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000245281360 572225170 /nfs/dbraw/zinc/22/51/70/572225170.db2.gz XMRWHHIGMCGADM-ZEQKJWHPSA-N 1 1 509.647 4.655 50 0 KJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@H]1CCCO1 ZINC000245281379 572225294 /nfs/dbraw/zinc/22/52/94/572225294.db2.gz YAFFMTNTXOMLGW-FCHUYYIVSA-N 1 1 500.039 4.911 50 0 KJAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@H]1CCCO1 ZINC000245281381 572225261 /nfs/dbraw/zinc/22/52/61/572225261.db2.gz YAFFMTNTXOMLGW-FGZHOGPDSA-N 1 1 500.039 4.911 50 0 KJAAMO C[C@@H]1C[C@@H](C)CN(CCS(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)CC[NH+]4C[C@H](C)C[C@@H](C)C4)cc3)cc2)C1 ZINC000245298144 572226672 /nfs/dbraw/zinc/22/66/72/572226672.db2.gz XKKAUSKWRNFREM-VEYUFSJPSA-N 1 1 576.825 4.982 50 0 KJAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]3[C@@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000245309476 572227654 /nfs/dbraw/zinc/22/76/54/572227654.db2.gz DMXMMMPKGRBCHA-NGSHPTGOSA-N 1 1 533.506 4.868 50 0 KJAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]3[C@@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000245309476 572227652 /nfs/dbraw/zinc/22/76/52/572227652.db2.gz DMXMMMPKGRBCHA-NGSHPTGOSA-N 1 1 533.506 4.868 50 0 KJAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000245309477 572227480 /nfs/dbraw/zinc/22/74/80/572227480.db2.gz DMXMMMPKGRBCHA-VPBXCIAMSA-N 1 1 533.506 4.868 50 0 KJAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000245309477 572227477 /nfs/dbraw/zinc/22/74/77/572227477.db2.gz DMXMMMPKGRBCHA-VPBXCIAMSA-N 1 1 533.506 4.868 50 0 KJAAMO CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 ZINC000245309759 572227436 /nfs/dbraw/zinc/22/74/36/572227436.db2.gz GCSFJKUUFZLWCQ-MOLUGRFGSA-N 1 1 569.459 4.529 50 0 KJAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]3[C@@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000245310716 572228768 /nfs/dbraw/zinc/22/87/68/572228768.db2.gz KDRKSHRNDJYHBD-NGSHPTGOSA-N 1 1 517.944 4.642 50 0 KJAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]3[C@@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000245310716 572228766 /nfs/dbraw/zinc/22/87/66/572228766.db2.gz KDRKSHRNDJYHBD-NGSHPTGOSA-N 1 1 517.944 4.642 50 0 KJAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000245310717 572228631 /nfs/dbraw/zinc/22/86/31/572228631.db2.gz KDRKSHRNDJYHBD-VPBXCIAMSA-N 1 1 517.944 4.642 50 0 KJAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000245310717 572228626 /nfs/dbraw/zinc/22/86/26/572228626.db2.gz KDRKSHRNDJYHBD-VPBXCIAMSA-N 1 1 517.944 4.642 50 0 KJAAMO CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]21 ZINC000245311694 572229512 /nfs/dbraw/zinc/22/95/12/572229512.db2.gz QKVFMUSRIBHIJA-QEFYAOKTSA-N 1 1 540.623 4.920 50 0 KJAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]21 ZINC000245312795 572230442 /nfs/dbraw/zinc/23/04/42/572230442.db2.gz XFMFTOKPFCFGTG-ZPBGSLHZSA-N 1 1 526.596 4.530 50 0 KJAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]21 ZINC000245313016 572230436 /nfs/dbraw/zinc/23/04/36/572230436.db2.gz YWZHRYBPRQRKJJ-ZPBGSLHZSA-N 1 1 526.596 4.530 50 0 KJAAMO CC(C)[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](O)COc1ccccc1 ZINC000245327900 572234381 /nfs/dbraw/zinc/23/43/81/572234381.db2.gz LCVCALLFNVKNRY-BKMJKUGQSA-N 1 1 512.647 4.542 50 0 KJAAMO CC(C)[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](O)COCc1ccccc1 ZINC000245328430 572234762 /nfs/dbraw/zinc/23/47/62/572234762.db2.gz OLCSTFRJRVNCAV-RPLLCQBOSA-N 1 1 526.674 4.680 50 0 KJAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)NC1CCCCC1 ZINC000245328857 572235172 /nfs/dbraw/zinc/23/51/72/572235172.db2.gz QEAXXCYAUKMUEJ-CCLHPLFOSA-N 1 1 512.695 4.800 50 0 KJAAMO COc1cccc(NC(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)c1 ZINC000245329627 572235985 /nfs/dbraw/zinc/23/59/85/572235985.db2.gz UJHHEFAJFCOLEM-PIIWDFAUSA-N 1 1 536.673 4.998 50 0 KJAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Cc1cccs1 ZINC000245330348 572236453 /nfs/dbraw/zinc/23/64/53/572236453.db2.gz XTFCODZKEGEUJZ-UZTOHYMASA-N 1 1 511.688 4.588 50 0 KJAAMO CC(C)(C)c1ccc(S(=O)(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000245339108 572236891 /nfs/dbraw/zinc/23/68/91/572236891.db2.gz QLTLNMXEVQSQOL-GDLZYMKVSA-N 1 1 551.778 4.916 50 0 KJAAMO CC(C)(C)c1ccc(S(=O)(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000245339108 572236889 /nfs/dbraw/zinc/23/68/89/572236889.db2.gz QLTLNMXEVQSQOL-GDLZYMKVSA-N 1 1 551.778 4.916 50 0 KJAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000245343340 572238535 /nfs/dbraw/zinc/23/85/35/572238535.db2.gz MEKPHYJMPOQCOE-XHCCPWGMSA-N 1 1 562.132 4.800 50 0 KJAAMO COc1cccc(Oc2c(C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000245343341 572238487 /nfs/dbraw/zinc/23/84/87/572238487.db2.gz MFOBETOKXVFUEF-SHQCIBLASA-N 1 1 523.674 4.903 50 0 KJAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)COCc1ccccc1 ZINC000245343430 572238587 /nfs/dbraw/zinc/23/85/87/572238587.db2.gz ORJWKIYMQSHCAJ-SMSORMJASA-N 1 1 535.685 4.501 50 0 KJAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000245343574 572239317 /nfs/dbraw/zinc/23/93/17/572239317.db2.gz SLYHRRLPTAZKKW-ISKFKSNPSA-N 1 1 500.039 4.911 50 0 KJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000245343575 572239374 /nfs/dbraw/zinc/23/93/74/572239374.db2.gz SLYHRRLPTAZKKW-LADGPHEKSA-N 1 1 500.039 4.911 50 0 KJAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000245343578 572239362 /nfs/dbraw/zinc/23/93/62/572239362.db2.gz SMJBVKRFXXMFFP-ACSYHNTCSA-N 1 1 523.649 4.666 50 0 KJAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000245343579 572239492 /nfs/dbraw/zinc/23/94/92/572239492.db2.gz SMJBVKRFXXMFFP-AFJIDDCJSA-N 1 1 523.649 4.666 50 0 KJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000245343598 572239524 /nfs/dbraw/zinc/23/95/24/572239524.db2.gz SZSVCDMMIBRXBM-KPURRNSFSA-N 1 1 519.686 4.835 50 0 KJAAMO COc1ccc(CC(=O)N2CCCN(C(=O)[C@@H](C)[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000245343633 572239346 /nfs/dbraw/zinc/23/93/46/572239346.db2.gz UUWZYDIYLQFQHI-WVXBCFDCSA-N 1 1 531.722 4.705 50 0 KJAAMO CCOc1cc(C(=O)O[C@@H]2C[C@@H]3C[N@H+]4CCc5c6ccc(OC)cc6[nH]c5[C@H]4C[C@@H]3[C@@H](C(=O)OC)[C@H]2OC)cc(OCC)c1OC ZINC000247652627 572243229 /nfs/dbraw/zinc/24/32/29/572243229.db2.gz OAHKGCZRPCQUJS-FVIXZDAGSA-N 1 1 636.742 4.951 50 0 KJAAMO CCOc1cc(C(=O)O[C@@H]2C[C@@H]3C[N@@H+]4CCc5c6ccc(OC)cc6[nH]c5[C@H]4C[C@@H]3[C@@H](C(=O)OC)[C@H]2OC)cc(OCC)c1OC ZINC000247652627 572243226 /nfs/dbraw/zinc/24/32/26/572243226.db2.gz OAHKGCZRPCQUJS-FVIXZDAGSA-N 1 1 636.742 4.951 50 0 KJAAMO CCOc1cc(C(=O)O[C@@H]2C[C@@H]3C[N@H+]4CCc5c6ccc(OC)cc6[nH]c5[C@@H]4C[C@@H]3[C@@H](C(=O)OC)[C@H]2OC)cc(OCC)c1OC ZINC000247652797 572243195 /nfs/dbraw/zinc/24/31/95/572243195.db2.gz OAHKGCZRPCQUJS-WBQVXZFASA-N 1 1 636.742 4.951 50 0 KJAAMO CCOc1cc(C(=O)O[C@@H]2C[C@@H]3C[N@@H+]4CCc5c6ccc(OC)cc6[nH]c5[C@@H]4C[C@@H]3[C@@H](C(=O)OC)[C@H]2OC)cc(OCC)c1OC ZINC000247652797 572243193 /nfs/dbraw/zinc/24/31/93/572243193.db2.gz OAHKGCZRPCQUJS-WBQVXZFASA-N 1 1 636.742 4.951 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000247710849 572243380 /nfs/dbraw/zinc/24/33/80/572243380.db2.gz JLXVOHCEACNGOK-LWSSLDFYSA-N 1 1 521.470 4.999 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000247710849 572243377 /nfs/dbraw/zinc/24/33/77/572243377.db2.gz JLXVOHCEACNGOK-LWSSLDFYSA-N 1 1 521.470 4.999 50 0 KJAAMO O=C(Nc1ccccc1F)[C@@H](C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H]1CCCO1)Oc1cccc(F)c1 ZINC000247724634 572243733 /nfs/dbraw/zinc/24/37/33/572243733.db2.gz CPCDVEWQORVTOI-AJTFRIOCSA-N 1 1 510.537 4.761 50 0 KJAAMO O=C(Nc1ccccc1F)[C@H](C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H]1CCCO1)Oc1cccc(F)c1 ZINC000247724643 572243776 /nfs/dbraw/zinc/24/37/76/572243776.db2.gz CPCDVEWQORVTOI-AMGIVPHBSA-N 1 1 510.537 4.761 50 0 KJAAMO O=C(C[N@@H+](C[C@H](O)COCc1ccccc1)CC1CC1)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000247729908 572244165 /nfs/dbraw/zinc/24/41/65/572244165.db2.gz GKDPDFJSNIDVSF-LBNVMWSVSA-N 1 1 538.685 4.682 50 0 KJAAMO O=C(C[N@@H+](C[C@@H](O)COCc1ccccc1)CC1CC1)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000247729909 572244225 /nfs/dbraw/zinc/24/42/25/572244225.db2.gz GKDPDFJSNIDVSF-LEAFIULHSA-N 1 1 538.685 4.682 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000247746423 572244422 /nfs/dbraw/zinc/24/44/22/572244422.db2.gz PWMYXGFYMMHRTG-LWSSLDFYSA-N 1 1 509.528 4.988 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000247746423 572244420 /nfs/dbraw/zinc/24/44/20/572244420.db2.gz PWMYXGFYMMHRTG-LWSSLDFYSA-N 1 1 509.528 4.988 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000247746429 572244480 /nfs/dbraw/zinc/24/44/80/572244480.db2.gz PWMYXGFYMMHRTG-YCAMKHIRSA-N 1 1 509.528 4.988 50 0 KJAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000247746429 572244479 /nfs/dbraw/zinc/24/44/79/572244479.db2.gz PWMYXGFYMMHRTG-YCAMKHIRSA-N 1 1 509.528 4.988 50 0 KJAAMO O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000247758777 572244766 /nfs/dbraw/zinc/24/47/66/572244766.db2.gz ZCXXUEHMDPRKLK-LWSSLDFYSA-N 1 1 514.379 4.603 50 0 KJAAMO O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000247758777 572244764 /nfs/dbraw/zinc/24/47/64/572244764.db2.gz ZCXXUEHMDPRKLK-LWSSLDFYSA-N 1 1 514.379 4.603 50 0 KJAAMO O=C(c1ccccc1)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247791203 572245057 /nfs/dbraw/zinc/24/50/57/572245057.db2.gz ADOMKIGZKXWXHB-DEOSSOPVSA-N 1 1 586.534 4.985 50 0 KJAAMO O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247791208 572245028 /nfs/dbraw/zinc/24/50/28/572245028.db2.gz ADOMKIGZKXWXHB-XMMPIXPASA-N 1 1 586.534 4.985 50 0 KJAAMO O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000247791888 572244906 /nfs/dbraw/zinc/24/49/06/572244906.db2.gz AKYPVJIRFAXVEH-AREMUKBSSA-N 1 1 556.110 4.935 50 0 KJAAMO O=C(c1ccccc1)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000247791891 572245045 /nfs/dbraw/zinc/24/50/45/572245045.db2.gz AKYPVJIRFAXVEH-SANMLTNESA-N 1 1 556.110 4.935 50 0 KJAAMO O=C(c1ccc(F)cc1)N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(F)cc3)CC2)CC1 ZINC000247798001 572245083 /nfs/dbraw/zinc/24/50/83/572245083.db2.gz DLKRGWMOIRERGG-UHFFFAOYSA-N 1 1 543.618 4.500 50 0 KJAAMO O=C(c1ccccc1)N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)CC1 ZINC000247800087 572244957 /nfs/dbraw/zinc/24/49/57/572244957.db2.gz FISSNFBHTTXNSN-UHFFFAOYSA-N 1 1 586.534 4.985 50 0 KJAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000247806461 572245309 /nfs/dbraw/zinc/24/53/09/572245309.db2.gz BMBQMWVUNOMLOQ-RUZDIDTESA-N 1 1 511.645 4.721 50 0 KJAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000247806466 572245430 /nfs/dbraw/zinc/24/54/30/572245430.db2.gz BMBQMWVUNOMLOQ-VWLOTQADSA-N 1 1 511.645 4.721 50 0 KJAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000247839008 572246021 /nfs/dbraw/zinc/24/60/21/572246021.db2.gz DUYUNVJNGHYGKQ-UHFFFAOYSA-N 1 1 511.645 4.721 50 0 KJAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000247852161 572246238 /nfs/dbraw/zinc/24/62/38/572246238.db2.gz JBBPTNLMTJFOAL-JOCHJYFZSA-N 1 1 515.608 4.865 50 0 KJAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000247852164 572246410 /nfs/dbraw/zinc/24/64/10/572246410.db2.gz JBBPTNLMTJFOAL-QFIPXVFZSA-N 1 1 515.608 4.865 50 0 KJAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000247864248 572246761 /nfs/dbraw/zinc/24/67/61/572246761.db2.gz NUJRHCBQOGPLJH-UHFFFAOYSA-N 1 1 515.608 4.865 50 0 KJAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(c5cccc(OC)c5)CC4)CC3)nc3ccccc32)cc1 ZINC000247865014 572246883 /nfs/dbraw/zinc/24/68/83/572246883.db2.gz AHDXTGXNOCDIDU-UHFFFAOYSA-N 1 1 553.707 4.663 50 0 KJAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(c5ccccc5F)CC4)CC3)nc3ccccc32)cc1 ZINC000247865238 572246865 /nfs/dbraw/zinc/24/68/65/572246865.db2.gz AQEAWFWLYXNIAE-UHFFFAOYSA-N 1 1 541.671 4.793 50 0 KJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CCN(c5ccccc5)CC4)C3)nc3ccccc32)cc1 ZINC000247868433 572247072 /nfs/dbraw/zinc/24/70/72/572247072.db2.gz CEFWKOMSTPRVHZ-AREMUKBSSA-N 1 1 523.681 4.654 50 0 KJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CCN(c5ccccc5)CC4)C3)nc3ccccc32)cc1 ZINC000247868437 572247116 /nfs/dbraw/zinc/24/71/16/572247116.db2.gz CEFWKOMSTPRVHZ-SANMLTNESA-N 1 1 523.681 4.654 50 0 KJAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000247869322 572247095 /nfs/dbraw/zinc/24/70/95/572247095.db2.gz QDGRCSQRYSZXDB-JOCHJYFZSA-N 1 1 515.608 4.865 50 0 KJAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000247869328 572247104 /nfs/dbraw/zinc/24/71/04/572247104.db2.gz QDGRCSQRYSZXDB-QFIPXVFZSA-N 1 1 515.608 4.865 50 0 KJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CCN(c5ccccc5OC)CC4)C3)nc3ccccc32)cc1 ZINC000247874537 572247623 /nfs/dbraw/zinc/24/76/23/572247623.db2.gz GNAHPKKKOAEILY-AREMUKBSSA-N 1 1 553.707 4.663 50 0 KJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CCN(c5ccccc5OC)CC4)C3)nc3ccccc32)cc1 ZINC000247874539 572247462 /nfs/dbraw/zinc/24/74/62/572247462.db2.gz GNAHPKKKOAEILY-SANMLTNESA-N 1 1 553.707 4.663 50 0 KJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CCN(c5ccc(F)cc5F)CC4)C3)nc3ccccc32)cc1 ZINC000247885453 572248282 /nfs/dbraw/zinc/24/82/82/572248282.db2.gz KRPKAFWGMMHUOM-DEOSSOPVSA-N 1 1 559.661 4.932 50 0 KJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CCN(c5ccc(F)cc5F)CC4)C3)nc3ccccc32)cc1 ZINC000247885459 572248254 /nfs/dbraw/zinc/24/82/54/572248254.db2.gz KRPKAFWGMMHUOM-XMMPIXPASA-N 1 1 559.661 4.932 50 0 KJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CCN(c5ccccc5F)CC4)C3)nc3ccccc32)cc1 ZINC000247894520 572248773 /nfs/dbraw/zinc/24/87/73/572248773.db2.gz NWTMIFWTMSKOAG-RUZDIDTESA-N 1 1 541.671 4.793 50 0 KJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CCN(c5ccccc5F)CC4)C3)nc3ccccc32)cc1 ZINC000247894528 572248787 /nfs/dbraw/zinc/24/87/87/572248787.db2.gz NWTMIFWTMSKOAG-VWLOTQADSA-N 1 1 541.671 4.793 50 0 KJAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(C(=O)c5ccccc5Cl)CC4)CC3)nc3ccccc32)cc1 ZINC000247899982 572248944 /nfs/dbraw/zinc/24/89/44/572248944.db2.gz QFODXZKERIXXTF-UHFFFAOYSA-N 1 1 586.136 4.943 50 0 KJAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(Cc5ccccc5)CC4)CC3)nc3ccccc32)cc1 ZINC000247902604 572248915 /nfs/dbraw/zinc/24/89/15/572248915.db2.gz RHRSUNZCWSQPAS-UHFFFAOYSA-N 1 1 537.708 4.650 50 0 KJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CCN(C(=O)c5ccccc5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247902658 572249002 /nfs/dbraw/zinc/24/90/02/572249002.db2.gz RLLCYZPISXJLJJ-RUZDIDTESA-N 1 1 586.136 4.943 50 0 KJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CCN(C(=O)c5ccccc5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247902661 572248909 /nfs/dbraw/zinc/24/89/09/572248909.db2.gz RLLCYZPISXJLJJ-VWLOTQADSA-N 1 1 586.136 4.943 50 0 KJAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(c5ccc(F)cc5)CC4)CC3)nc3ccccc32)cc1 ZINC000247907061 572248998 /nfs/dbraw/zinc/24/89/98/572248998.db2.gz SQPUTBFVJTYWRH-UHFFFAOYSA-N 1 1 541.671 4.793 50 0 KJAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(c5ccc(F)cc5F)CC4)CC3)nc3ccccc32)cc1 ZINC000247915195 572249227 /nfs/dbraw/zinc/24/92/27/572249227.db2.gz VWMZTPPLRPWCCJ-UHFFFAOYSA-N 1 1 559.661 4.932 50 0 KJAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)nc3ccccc32)cc1 ZINC000247918264 572249621 /nfs/dbraw/zinc/24/96/21/572249621.db2.gz WYZCOANYBDMBCV-UHFFFAOYSA-N 1 1 523.681 4.654 50 0 KJAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000247932854 572249990 /nfs/dbraw/zinc/24/99/90/572249990.db2.gz RGOIEQIXJJUYKS-APVDNHQMSA-N 1 1 558.034 4.680 50 0 KJAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000247932854 572249988 /nfs/dbraw/zinc/24/99/88/572249988.db2.gz RGOIEQIXJJUYKS-APVDNHQMSA-N 1 1 558.034 4.680 50 0 KJAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000247932858 572250002 /nfs/dbraw/zinc/25/00/02/572250002.db2.gz RGOIEQIXJJUYKS-LLXHICIGSA-N 1 1 558.034 4.680 50 0 KJAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000247932858 572250001 /nfs/dbraw/zinc/25/00/01/572250001.db2.gz RGOIEQIXJJUYKS-LLXHICIGSA-N 1 1 558.034 4.680 50 0 KJAAMO O=C(c1ccccc1)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247949144 572250574 /nfs/dbraw/zinc/25/05/74/572250574.db2.gz RYHHEPNKPLFDJV-DEOSSOPVSA-N 1 1 586.534 4.985 50 0 KJAAMO O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247949147 572250705 /nfs/dbraw/zinc/25/07/05/572250705.db2.gz RYHHEPNKPLFDJV-XMMPIXPASA-N 1 1 586.534 4.985 50 0 KJAAMO O=C1[C@@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+]1[C@]21c2ccccc2N(Cc2ccccc2)C1=O ZINC000247961085 572250953 /nfs/dbraw/zinc/25/09/53/572250953.db2.gz XPHWSLMTNITVDN-APSVEGKFSA-N 1 1 531.534 4.731 50 0 KJAAMO O=C1[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000247961088 572250838 /nfs/dbraw/zinc/25/08/38/572250838.db2.gz XPHWSLMTNITVDN-GYKHTSFTSA-N 1 1 531.534 4.731 50 0 KJAAMO Cn1c(C[N@H+]2CCC[C@@H](C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2)nc2ccccc21 ZINC000247962330 572250945 /nfs/dbraw/zinc/25/09/45/572250945.db2.gz FOZUOAIIJHBIPB-HHHXNRCGSA-N 1 1 507.682 4.719 50 0 KJAAMO Cn1c(C[N@H+]2CCC[C@H](C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2)nc2ccccc21 ZINC000247962332 572250981 /nfs/dbraw/zinc/25/09/81/572250981.db2.gz FOZUOAIIJHBIPB-MHZLTWQESA-N 1 1 507.682 4.719 50 0 KJAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(C)C ZINC000248041787 572252840 /nfs/dbraw/zinc/25/28/40/572252840.db2.gz VEEDPRNDVLJSFD-JYFHCDHNSA-N 1 1 526.674 4.851 50 0 KJAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(C)C ZINC000248041790 572252779 /nfs/dbraw/zinc/25/27/79/572252779.db2.gz VEEDPRNDVLJSFD-ZEQKJWHPSA-N 1 1 526.674 4.851 50 0 KJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)COCc2ccccc2)CC1 ZINC000248053990 572253013 /nfs/dbraw/zinc/25/30/13/572253013.db2.gz BCYZFUVJTVSGNR-AYWVHJORSA-N 1 1 531.722 4.670 50 0 KJAAMO CC[C@@H](C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000248068226 572253081 /nfs/dbraw/zinc/25/30/81/572253081.db2.gz GLBOXORPOCNQSB-FUFSCUOVSA-N 1 1 501.696 4.869 50 0 KJAAMO CC[C@@H](C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000248068226 572253078 /nfs/dbraw/zinc/25/30/78/572253078.db2.gz GLBOXORPOCNQSB-FUFSCUOVSA-N 1 1 501.696 4.869 50 0 KJAAMO CC[C@H](C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000248068229 572253117 /nfs/dbraw/zinc/25/31/17/572253117.db2.gz GLBOXORPOCNQSB-PWUYWRBVSA-N 1 1 501.696 4.869 50 0 KJAAMO CC[C@H](C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000248068229 572253116 /nfs/dbraw/zinc/25/31/16/572253116.db2.gz GLBOXORPOCNQSB-PWUYWRBVSA-N 1 1 501.696 4.869 50 0 KJAAMO CCc1ccc(C(=O)N2CCN(C(=O)[C@H](C)[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000248074236 572253141 /nfs/dbraw/zinc/25/31/41/572253141.db2.gz HYIFNWWCDWBPAL-RBISFHTESA-N 1 1 501.696 4.940 50 0 KJAAMO CCc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000248074244 572253132 /nfs/dbraw/zinc/25/31/32/572253132.db2.gz HYIFNWWCDWBPAL-SKCUWOTOSA-N 1 1 501.696 4.940 50 0 KJAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(c5ccc(C)cc5)CC4)CC3)nc3ccccc32)cc1 ZINC000248079611 572253268 /nfs/dbraw/zinc/25/32/68/572253268.db2.gz CLGNWLJRDHETQV-UHFFFAOYSA-N 1 1 537.708 4.962 50 0 KJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000248081703 572253294 /nfs/dbraw/zinc/25/32/94/572253294.db2.gz IWKDOZOFNQPQRH-NLFFAJNJSA-N 1 1 523.549 4.691 50 0 KJAAMO CCc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)C[C@H]2C)cc1 ZINC000248086476 572253324 /nfs/dbraw/zinc/25/33/24/572253324.db2.gz LASBGOTXSQHRTQ-KPURRNSFSA-N 1 1 501.696 4.940 50 0 KJAAMO CCc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)C[C@H]2C)cc1 ZINC000248086476 572253323 /nfs/dbraw/zinc/25/33/23/572253323.db2.gz LASBGOTXSQHRTQ-KPURRNSFSA-N 1 1 501.696 4.940 50 0 KJAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(c5cccc(C)c5)CC4)CC3)nc3ccccc32)cc1 ZINC000248089968 572253452 /nfs/dbraw/zinc/25/34/52/572253452.db2.gz GQYCMKOCCJEIJQ-UHFFFAOYSA-N 1 1 537.708 4.962 50 0 KJAAMO CCc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccc(C)cc3)C[C@H]2C)cc1 ZINC000248093156 572253443 /nfs/dbraw/zinc/25/34/43/572253443.db2.gz MWRUVEPUGSTJLS-KPURRNSFSA-N 1 1 501.696 4.940 50 0 KJAAMO CCc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccc(C)cc3)C[C@H]2C)cc1 ZINC000248093156 572253442 /nfs/dbraw/zinc/25/34/42/572253442.db2.gz MWRUVEPUGSTJLS-KPURRNSFSA-N 1 1 501.696 4.940 50 0 KJAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(c5ccccc5C)CC4)CC3)nc3ccccc32)cc1 ZINC000248096753 572253581 /nfs/dbraw/zinc/25/35/81/572253581.db2.gz IGKXVQGSHZNEKY-UHFFFAOYSA-N 1 1 537.708 4.962 50 0 KJAAMO Cn1c(CN2CCC(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)CC2)nc2ccccc21 ZINC000248097067 572253590 /nfs/dbraw/zinc/25/35/90/572253590.db2.gz YFMPVAFIEVQHKC-UHFFFAOYSA-N 1 1 507.682 4.719 50 0 KJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)Cc2cccs2)CC1 ZINC000248102709 572253534 /nfs/dbraw/zinc/25/35/34/572253534.db2.gz PPJXBHVERXQFAG-JIPXPUAJSA-N 1 1 507.725 4.758 50 0 KJAAMO COc1cc(OC)cc(C(=O)N2CCCN(C(=O)[C@@H](C)[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)c1 ZINC000248107940 572253792 /nfs/dbraw/zinc/25/37/92/572253792.db2.gz RHHFFIGCVYAZFR-KPURRNSFSA-N 1 1 547.721 4.784 50 0 KJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000248109892 572253764 /nfs/dbraw/zinc/25/37/64/572253764.db2.gz RZKGZAIUXHYULW-FQRUVTKNSA-N 1 1 544.142 4.579 50 0 KJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000248118433 572254032 /nfs/dbraw/zinc/25/40/32/572254032.db2.gz WFQMAZIXUZIYPM-JIPXPUAJSA-N 1 1 505.659 4.906 50 0 KJAAMO COc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)[N@@H+]4C=Cc5ccccc5[C@H]4[C@H]3C2=O)cc1 ZINC000248121560 572254215 /nfs/dbraw/zinc/25/42/15/572254215.db2.gz FFCRDQXEULCJCN-FQUZAXHOSA-N 1 1 533.506 4.868 50 0 KJAAMO COc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)[N@H+]4C=Cc5ccccc5[C@H]4[C@H]3C2=O)cc1 ZINC000248121560 572254214 /nfs/dbraw/zinc/25/42/14/572254214.db2.gz FFCRDQXEULCJCN-FQUZAXHOSA-N 1 1 533.506 4.868 50 0 KJAAMO COc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000248121564 572254292 /nfs/dbraw/zinc/25/42/92/572254292.db2.gz FFCRDQXEULCJCN-ZYQDXHPFSA-N 1 1 533.506 4.868 50 0 KJAAMO COc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)[N@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000248121564 572254291 /nfs/dbraw/zinc/25/42/91/572254291.db2.gz FFCRDQXEULCJCN-ZYQDXHPFSA-N 1 1 533.506 4.868 50 0 KJAAMO COc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(F)cc3)CC2)CC1 ZINC000248122416 572254280 /nfs/dbraw/zinc/25/42/80/572254280.db2.gz FSRREWWPWJUJDT-UHFFFAOYSA-N 1 1 527.644 4.734 50 0 KJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CCN(c5ccc(C)cc5)CC4)C3)nc3ccccc32)cc1 ZINC000248122601 572254275 /nfs/dbraw/zinc/25/42/75/572254275.db2.gz SJKZEYNUIJLDSS-HHHXNRCGSA-N 1 1 537.708 4.962 50 0 KJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CCN(c5ccc(C)cc5)CC4)C3)nc3ccccc32)cc1 ZINC000248122605 572254234 /nfs/dbraw/zinc/25/42/34/572254234.db2.gz SJKZEYNUIJLDSS-MHZLTWQESA-N 1 1 537.708 4.962 50 0 KJAAMO COc1cccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4ccc(F)cc4)CC3)CC2)c1 ZINC000248129001 572254586 /nfs/dbraw/zinc/25/45/86/572254586.db2.gz JFVVKZCSJUVZIG-UHFFFAOYSA-N 1 1 527.644 4.734 50 0 KJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CCN(c5cccc(C)c5)CC4)C3)nc3ccccc32)cc1 ZINC000248131222 572254639 /nfs/dbraw/zinc/25/46/39/572254639.db2.gz XDURCEYEIWRNKT-HHHXNRCGSA-N 1 1 537.708 4.962 50 0 KJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CCN(c5cccc(C)c5)CC4)C3)nc3ccccc32)cc1 ZINC000248131225 572254631 /nfs/dbraw/zinc/25/46/31/572254631.db2.gz XDURCEYEIWRNKT-MHZLTWQESA-N 1 1 537.708 4.962 50 0 KJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CCN(c5ccccc5C)CC4)C3)nc3ccccc32)cc1 ZINC000248135631 572254953 /nfs/dbraw/zinc/25/49/53/572254953.db2.gz ZOLZVALAKARLQC-HHHXNRCGSA-N 1 1 537.708 4.962 50 0 KJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CCN(c5ccccc5C)CC4)C3)nc3ccccc32)cc1 ZINC000248135635 572254986 /nfs/dbraw/zinc/25/49/86/572254986.db2.gz ZOLZVALAKARLQC-MHZLTWQESA-N 1 1 537.708 4.962 50 0 KJAAMO Cc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000248143026 572255429 /nfs/dbraw/zinc/25/54/29/572255429.db2.gz GHPIKNYQTUTXCM-LYZGTLIUSA-N 1 1 505.659 4.906 50 0 KJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CCN(c5cccc(OC)c5)CC4)C3)nc3ccccc32)cc1 ZINC000248146346 572255392 /nfs/dbraw/zinc/25/53/92/572255392.db2.gz SQRGFJNIGWEFMB-AREMUKBSSA-N 1 1 553.707 4.663 50 0 KJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CCN(c5cccc(OC)c5)CC4)C3)nc3ccccc32)cc1 ZINC000248146349 572255462 /nfs/dbraw/zinc/25/54/62/572255462.db2.gz SQRGFJNIGWEFMB-SANMLTNESA-N 1 1 553.707 4.663 50 0 KJAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(c5ccccc5OC)CC4)CC3)nc3ccccc32)cc1 ZINC000248150680 572255575 /nfs/dbraw/zinc/25/55/75/572255575.db2.gz VPLHPAGBIXKADL-UHFFFAOYSA-N 1 1 553.707 4.663 50 0 KJAAMO COc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c1 ZINC000248151660 572255790 /nfs/dbraw/zinc/25/57/90/572255790.db2.gz WKOLVTOKZXGFNK-HSZRJFAPSA-N 1 1 527.644 4.734 50 0 KJAAMO COc1cccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c1 ZINC000248151663 572255766 /nfs/dbraw/zinc/25/57/66/572255766.db2.gz WKOLVTOKZXGFNK-QHCPKHFHSA-N 1 1 527.644 4.734 50 0 KJAAMO COc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000248151797 572255773 /nfs/dbraw/zinc/25/57/73/572255773.db2.gz WRXCMIWPALOPGL-HSZRJFAPSA-N 1 1 527.644 4.734 50 0 KJAAMO COc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000248151801 572255802 /nfs/dbraw/zinc/25/58/02/572255802.db2.gz WRXCMIWPALOPGL-QHCPKHFHSA-N 1 1 527.644 4.734 50 0 KJAAMO CCCC[NH+]1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000248214644 572256767 /nfs/dbraw/zinc/25/67/67/572256767.db2.gz FSFZYRLJOWHJBY-DEOSSOPVSA-N 1 1 508.110 4.894 50 0 KJAAMO CCCC[NH+]1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000248214645 572256802 /nfs/dbraw/zinc/25/68/02/572256802.db2.gz FSFZYRLJOWHJBY-XMMPIXPASA-N 1 1 508.110 4.894 50 0 KJAAMO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4ccccc4N4CC[N@@H+](Cc5ccccc5)C[C@H]43)C2=O)cc1 ZINC000248289328 572257802 /nfs/dbraw/zinc/25/78/02/572257802.db2.gz JBJYBMJNDUNNLP-IZEXYCQBSA-N 1 1 508.622 4.519 50 0 KJAAMO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4ccccc4N4CC[N@@H+](Cc5ccccc5)C[C@H]43)C2=O)cc1 ZINC000248289329 572257714 /nfs/dbraw/zinc/25/77/14/572257714.db2.gz JBJYBMJNDUNNLP-QCENPCRXSA-N 1 1 508.622 4.519 50 0 KJAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000248333139 572258194 /nfs/dbraw/zinc/25/81/94/572258194.db2.gz JVKNTDSYNORIEP-APVDNHQMSA-N 1 1 558.034 4.680 50 0 KJAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000248333139 572258193 /nfs/dbraw/zinc/25/81/93/572258193.db2.gz JVKNTDSYNORIEP-APVDNHQMSA-N 1 1 558.034 4.680 50 0 KJAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000248333140 572258210 /nfs/dbraw/zinc/25/82/10/572258210.db2.gz JVKNTDSYNORIEP-LLXHICIGSA-N 1 1 558.034 4.680 50 0 KJAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000248333140 572258209 /nfs/dbraw/zinc/25/82/09/572258209.db2.gz JVKNTDSYNORIEP-LLXHICIGSA-N 1 1 558.034 4.680 50 0 KJAAMO CCn1c2ccccc2nc1C[NH+]1CCC(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000249684218 572258677 /nfs/dbraw/zinc/25/86/77/572258677.db2.gz DNXXRZZILRCZNN-UHFFFAOYSA-N 1 1 528.484 4.560 50 0 KJAAMO CCn1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000249684714 572258694 /nfs/dbraw/zinc/25/86/94/572258694.db2.gz DZODBGWNTUMCFI-FQEVSTJZSA-N 1 1 528.484 4.560 50 0 KJAAMO CCn1c2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000249684716 572258784 /nfs/dbraw/zinc/25/87/84/572258784.db2.gz DZODBGWNTUMCFI-HXUWFJFHSA-N 1 1 528.484 4.560 50 0 KJAAMO CCn1c2ccccc2nc1C[NH+]1CCC(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)CC1 ZINC000249686672 572258684 /nfs/dbraw/zinc/25/86/84/572258684.db2.gz HADHUJILNUNOGO-UHFFFAOYSA-N 1 1 528.484 4.560 50 0 KJAAMO CCn1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)C1 ZINC000249687770 572258723 /nfs/dbraw/zinc/25/87/23/572258723.db2.gz HTBQOKLCKXUYPQ-IBGZPJMESA-N 1 1 500.474 4.924 50 0 KJAAMO CCn1c2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)C1 ZINC000249687771 572258661 /nfs/dbraw/zinc/25/86/61/572258661.db2.gz HTBQOKLCKXUYPQ-LJQANCHMSA-N 1 1 500.474 4.924 50 0 KJAAMO CCn1c2ccccc2nc1C[NH+]1CCC(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)CC1 ZINC000249693131 572258872 /nfs/dbraw/zinc/25/88/72/572258872.db2.gz NQTIPGFQIHAFTN-UHFFFAOYSA-N 1 1 500.474 4.924 50 0 KJAAMO CCn1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000249696158 572258803 /nfs/dbraw/zinc/25/88/03/572258803.db2.gz SDCRAFZKOASRMY-IBGZPJMESA-N 1 1 528.484 4.560 50 0 KJAAMO CCn1c2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000249696159 572258832 /nfs/dbraw/zinc/25/88/32/572258832.db2.gz SDCRAFZKOASRMY-LJQANCHMSA-N 1 1 528.484 4.560 50 0 KJAAMO CCn1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000249700655 572258794 /nfs/dbraw/zinc/25/87/94/572258794.db2.gz XRPJIAXKPAGEOB-IBGZPJMESA-N 1 1 528.484 4.560 50 0 KJAAMO CCn1c2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000249700656 572258885 /nfs/dbraw/zinc/25/88/85/572258885.db2.gz XRPJIAXKPAGEOB-LJQANCHMSA-N 1 1 528.484 4.560 50 0 KJAAMO CCn1c2ccccc2nc1C[NH+]1CCC(C(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000249703395 572258881 /nfs/dbraw/zinc/25/88/81/572258881.db2.gz ZRALPRDGFJDOHF-UHFFFAOYSA-N 1 1 528.484 4.560 50 0 KJAAMO COc1ccc(C[C@]2(C[N@H+]3CCc4cc(OC)c(OC)cc4[C@H]3C)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000252347009 572260151 /nfs/dbraw/zinc/26/01/51/572260151.db2.gz RPOCLRMLCJYPNM-QJWGWKRISA-N 1 1 543.620 4.984 50 0 KJAAMO COc1ccc(C[C@]2(C[N@H+]3CCc4cc(OC)c(OC)cc4[C@H]3C)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000252347009 572260149 /nfs/dbraw/zinc/26/01/49/572260149.db2.gz RPOCLRMLCJYPNM-QJWGWKRISA-N 1 1 543.620 4.984 50 0 KJAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000252517276 572262226 /nfs/dbraw/zinc/26/22/26/572262226.db2.gz DOBHVABSGZTJFD-YDSTWLSQSA-N 1 1 524.326 4.752 50 0 KJAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000252517276 572262224 /nfs/dbraw/zinc/26/22/24/572262224.db2.gz DOBHVABSGZTJFD-YDSTWLSQSA-N 1 1 524.326 4.752 50 0 KJAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000252517688 572262248 /nfs/dbraw/zinc/26/22/48/572262248.db2.gz OPAFFMVFAQXOMY-YWYGCRHHSA-N 1 1 524.326 4.752 50 0 KJAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000252517688 572262246 /nfs/dbraw/zinc/26/22/46/572262246.db2.gz OPAFFMVFAQXOMY-YWYGCRHHSA-N 1 1 524.326 4.752 50 0 KJAAMO CCCC[N@@H+](C)CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000252584444 572263886 /nfs/dbraw/zinc/26/38/86/572263886.db2.gz AMKHQRQMVDELJQ-HNMGSOKFSA-N 1 1 578.798 4.572 50 0 KJAAMO CCCC[N@@H+](C)CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000252584445 572263900 /nfs/dbraw/zinc/26/39/00/572263900.db2.gz AMKHQRQMVDELJQ-SUHMZQMOSA-N 1 1 578.798 4.572 50 0 KJAAMO CCCC[N@@H+](C)CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000252584446 572263882 /nfs/dbraw/zinc/26/38/82/572263882.db2.gz AMKHQRQMVDELJQ-ULGNZFCMSA-N 1 1 578.798 4.572 50 0 KJAAMO CCCC[N@@H+](C)CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000252584447 572263893 /nfs/dbraw/zinc/26/38/93/572263893.db2.gz AMKHQRQMVDELJQ-YDSVMRRDSA-N 1 1 578.798 4.572 50 0 KJAAMO 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COc1ccccc1-c1ccc(C(=O)N2CCN(c3ccccc3C)CC2)c(N2CCC([N@H+]3CCC[C@H](CO)C3)CC2)n1 ZINC000299767026 572135532 /nfs/dbraw/zinc/13/55/32/572135532.db2.gz AVARQUAUCMTZGZ-MHZLTWQESA-N 1 1 583.777 4.701 50 0 KJAAMO COC(=O)CC[C@H]1CN(Cc2ccc(OC)c(C)c2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000299772604 572136078 /nfs/dbraw/zinc/13/60/78/572136078.db2.gz AEUUWMYQCMZQSX-JYFHCDHNSA-N 1 1 533.635 4.988 50 0 KJAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(OC)c(C)c2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000299772604 572136073 /nfs/dbraw/zinc/13/60/73/572136073.db2.gz AEUUWMYQCMZQSX-JYFHCDHNSA-N 1 1 533.635 4.988 50 0 KJAAMO Cc1nc(C(=O)N2CCC[C@@H](COc3cccc(C[NH+]4CCN(c5ccccc5F)CC4)c3)C2)cs1 ZINC000299778453 1066393459 /nfs/dbraw/zinc/39/34/59/1066393459.db2.gz RYWLAGPWTVNNLQ-HSZRJFAPSA-N 1 1 508.663 4.844 50 0 KJAAMO Cc1nc(C(=O)N2CCC[C@H](COc3cccc(C[NH+]4CCN(c5ccccc5F)CC4)c3)C2)cs1 ZINC000299778476 1066393514 /nfs/dbraw/zinc/39/35/14/1066393514.db2.gz RYWLAGPWTVNNLQ-QHCPKHFHSA-N 1 1 508.663 4.844 50 0 KJAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3cccnc3)C[C@@H]2CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000299780060 572136456 /nfs/dbraw/zinc/13/64/56/572136456.db2.gz OWJBDIBQBCUQOD-LBNVMWSVSA-N 1 1 531.676 4.661 50 0 KJAAMO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3cccnc3)C[C@@H]2CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000299780060 572136453 /nfs/dbraw/zinc/13/64/53/572136453.db2.gz OWJBDIBQBCUQOD-LBNVMWSVSA-N 1 1 531.676 4.661 50 0 KJAAMO Cc1cc(C)n(Cc2cccc(C(=O)N3CCC(Oc4cccc(C[NH+]5CCN(c6ccccn6)CC5)c4)CC3)c2)n1 ZINC000299783516 1066393982 /nfs/dbraw/zinc/39/39/82/1066393982.db2.gz WBNQEXPFWYVHSP-UHFFFAOYSA-N 1 1 564.734 4.949 50 0 KJAAMO CCOc1cc(C[N@H+]2C[C@H](Sc3ccc(OC)cc3)C[C@H]2C(=O)NCc2cn3ccccc3n2)ccc1OC ZINC000299786998 572136855 /nfs/dbraw/zinc/13/68/55/572136855.db2.gz ORMYLYLGSTWGIH-FTJBHMTQSA-N 1 1 546.693 4.802 50 0 KJAAMO CCOc1cc(C[N@@H+]2C[C@H](Sc3ccc(OC)cc3)C[C@H]2C(=O)NCc2cn3ccccc3n2)ccc1OC ZINC000299786998 572136851 /nfs/dbraw/zinc/13/68/51/572136851.db2.gz ORMYLYLGSTWGIH-FTJBHMTQSA-N 1 1 546.693 4.802 50 0 KJAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2cc(OC)cc(OC)c2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000299788880 572136984 /nfs/dbraw/zinc/13/69/84/572136984.db2.gz YOHCGILQPOQXOP-WXVAWEFUSA-N 1 1 549.634 4.689 50 0 KJAAMO COC(=O)CC[C@H]1C[N@H+](Cc2cc(OC)cc(OC)c2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000299788880 572136980 /nfs/dbraw/zinc/13/69/80/572136980.db2.gz YOHCGILQPOQXOP-WXVAWEFUSA-N 1 1 549.634 4.689 50 0 KJAAMO C[N@@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)cc1 ZINC000299790579 572137169 /nfs/dbraw/zinc/13/71/69/572137169.db2.gz BQYUYRIXIXQNPI-UHFFFAOYSA-N 1 1 529.710 4.582 50 0 KJAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2cccc(F)c2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000299797272 572137049 /nfs/dbraw/zinc/13/70/49/572137049.db2.gz NFPGUNSXNYJIGB-SQJMNOBHSA-N 1 1 507.572 4.810 50 0 KJAAMO COC(=O)CC[C@H]1C[N@H+](Cc2cccc(F)c2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000299797272 572137048 /nfs/dbraw/zinc/13/70/48/572137048.db2.gz NFPGUNSXNYJIGB-SQJMNOBHSA-N 1 1 507.572 4.810 50 0 KJAAMO COC(=O)CC[C@H]1CN(Cc2cccc(C)c2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000299797576 572137084 /nfs/dbraw/zinc/13/70/84/572137084.db2.gz BLFRKYIFBQGUES-JYFHCDHNSA-N 1 1 503.609 4.980 50 0 KJAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2cccc(C)c2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000299797576 572137080 /nfs/dbraw/zinc/13/70/80/572137080.db2.gz BLFRKYIFBQGUES-JYFHCDHNSA-N 1 1 503.609 4.980 50 0 KJAAMO O=C(CC[C@H]1C[N@@H+](C2Cc3ccccc3C2)CC[C@H]1N1CCN(c2ccccc2F)CC1)N1CCCCC1 ZINC000299797784 572138211 /nfs/dbraw/zinc/13/82/11/572138211.db2.gz PGXBJGYSFHFVAG-BHBYDHKZSA-N 1 1 518.721 4.598 50 0 KJAAMO CC(C)C[N@H+]1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@@H](CCC(=O)NCCc2cccc(F)c2)C1 ZINC000299801327 572137913 /nfs/dbraw/zinc/13/79/13/572137913.db2.gz ZQDVGBLZUVCSGY-LBNVMWSVSA-N 1 1 512.689 4.572 50 0 KJAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)COc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2 ZINC000409413206 1066219195 /nfs/dbraw/zinc/21/91/95/1066219195.db2.gz FSYIQMSCWZWWIG-SQJMNOBHSA-N 1 1 552.712 4.504 50 0 KJAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000409413329 1066208066 /nfs/dbraw/zinc/20/80/66/1066208066.db2.gz HZLXZYHYTUDHHU-WNCULLNHSA-N 1 1 504.627 4.578 50 0 KJAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000409413696 1066208650 /nfs/dbraw/zinc/20/86/50/1066208650.db2.gz KGXPRMJLZBXSNL-ABYGYWHVSA-N 1 1 532.681 4.811 50 0 KJAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000409414253 1067168421 /nfs/dbraw/zinc/16/84/21/1067168421.db2.gz JOLWXMTTWQXHCN-NDMKBUGQSA-N 1 1 533.713 4.735 50 0 KJAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000409414254 1067168448 /nfs/dbraw/zinc/16/84/48/1067168448.db2.gz JOLWXMTTWQXHCN-PBNZBDRISA-N 1 1 533.713 4.735 50 0 KJAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000409414255 1067168337 /nfs/dbraw/zinc/16/83/37/1067168337.db2.gz JOLWXMTTWQXHCN-QFUVHFAKSA-N 1 1 533.713 4.735 50 0 KJAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000409414256 1067168397 /nfs/dbraw/zinc/16/83/97/1067168397.db2.gz JOLWXMTTWQXHCN-XPSCAIQQSA-N 1 1 533.713 4.735 50 0 KJAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)COc1ccc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc2c1 ZINC000524729428 1066212384 /nfs/dbraw/zinc/21/23/84/1066212384.db2.gz TUWZTLQRXQEKFV-RPLLCQBOSA-N 1 1 564.679 4.596 50 0 KJAAMO COc1ccc([C@@H](CC(N)=O)c2oc(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1OCc1ccc(C(C)C)cc1 ZINC000524729546 1066213179 /nfs/dbraw/zinc/21/31/79/1066213179.db2.gz YBFZQANFEJAKRF-PZFKOMAXSA-N 1 1 639.749 4.845 50 0 KJAAMO COc1ccc([C@@H](CC(N)=O)c2oc(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1OCc1ccc(C(C)C)cc1 ZINC000524729546 1066213170 /nfs/dbraw/zinc/21/31/70/1066213170.db2.gz YBFZQANFEJAKRF-PZFKOMAXSA-N 1 1 639.749 4.845 50 0 KJAAMO COc1ccc([C@H](CC(N)=O)c2oc(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1OCc1ccc(C(C)C)cc1 ZINC000524729547 1066213299 /nfs/dbraw/zinc/21/32/99/1066213299.db2.gz YBFZQANFEJAKRF-QXGAZULMSA-N 1 1 639.749 4.845 50 0 KJAAMO COc1ccc([C@H](CC(N)=O)c2oc(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1OCc1ccc(C(C)C)cc1 ZINC000524729547 1066213292 /nfs/dbraw/zinc/21/32/92/1066213292.db2.gz YBFZQANFEJAKRF-QXGAZULMSA-N 1 1 639.749 4.845 50 0 KJAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2 ZINC000524731272 1066215893 /nfs/dbraw/zinc/21/58/93/1066215893.db2.gz QYJNWDQLTVVBPW-LADGPHEKSA-N 1 1 540.701 4.713 50 0 KJAAMO Cc1c(Cc2ccccc2)c(=O)oc2c3c(cc(OCC(=O)NCC[N@H+]4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)c12)OC(C)(C)CC3 ZINC000524731621 1066216638 /nfs/dbraw/zinc/21/66/38/1066216638.db2.gz FAVIJYQESRUIGX-FTJBHMTQSA-N 1 1 623.750 4.572 50 0 KJAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)COc1ccc(-c2cc3cccc(OC)c3oc2=O)cc1 ZINC000524731658 1066216511 /nfs/dbraw/zinc/21/65/11/1066216511.db2.gz GGUPPBKPMBBPFH-RPLLCQBOSA-N 1 1 534.653 4.587 50 0 KJAAMO Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@@H](C(=O)N2CCC(c3nc(C(=O)N4CCCC4)c(C)o3)CC2)C1 ZINC000581778189 1066505264 /nfs/dbraw/zinc/50/52/64/1066505264.db2.gz CTNBDTDCSAJCKP-RUZDIDTESA-N 1 1 545.684 4.801 50 0 KJAAMO Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@H](C(=O)N2CCC(c3nc(C(=O)N4CCCC4)c(C)o3)CC2)C1 ZINC000581778190 1066505303 /nfs/dbraw/zinc/50/53/03/1066505303.db2.gz CTNBDTDCSAJCKP-VWLOTQADSA-N 1 1 545.684 4.801 50 0 KJAAMO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000604404966 1066499978 /nfs/dbraw/zinc/49/99/78/1066499978.db2.gz MVUCWLRXTGTLLA-QPLJZLFBSA-N 1 1 634.818 4.778 50 0 KJAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000604405816 1066500622 /nfs/dbraw/zinc/50/06/22/1066500622.db2.gz VZPMBHFTZDVWMR-OCUZPWFOSA-N 1 1 678.871 4.795 50 0 KJAAMO O=C(c1ccc2cccnc2c1)N1CCC([NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000618256010 1066501315 /nfs/dbraw/zinc/50/13/15/1066501315.db2.gz CYWAJWZNVUDWDU-UHFFFAOYSA-N 1 1 503.956 4.729 50 0 KJAAMO C[C@H]1C[N@H+](C2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl ZINC000618256580 1066501740 /nfs/dbraw/zinc/50/17/40/1066501740.db2.gz JSEGCJAOEGCJPD-KRWDZBQOSA-N 1 1 554.038 4.666 50 0 KJAAMO C[C@H]1C[N@@H+](C2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl ZINC000618256580 1066501732 /nfs/dbraw/zinc/50/17/32/1066501732.db2.gz JSEGCJAOEGCJPD-KRWDZBQOSA-N 1 1 554.038 4.666 50 0 KJAAMO C[C@@H]1C[N@H+](C2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl ZINC000618256581 1066501917 /nfs/dbraw/zinc/50/19/17/1066501917.db2.gz JSEGCJAOEGCJPD-QGZVFWFLSA-N 1 1 554.038 4.666 50 0 KJAAMO C[C@@H]1C[N@@H+](C2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl ZINC000618256581 1066501909 /nfs/dbraw/zinc/50/19/09/1066501909.db2.gz JSEGCJAOEGCJPD-QGZVFWFLSA-N 1 1 554.038 4.666 50 0 KJAAMO CC(C)C(=O)Oc1cccc2ccc(C[NH+]3CCC(N4CCN(c5ccc(C(F)(F)F)cn5)CC4)CC3)nc21 ZINC000618256678 1066501952 /nfs/dbraw/zinc/50/19/52/1066501952.db2.gz LPFHUYMMCCRFGP-UHFFFAOYSA-N 1 1 541.618 4.997 50 0 KJAAMO O=C(c1ccc2ncccc2c1)N1CCC([NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000618256927 1066501758 /nfs/dbraw/zinc/50/17/58/1066501758.db2.gz NWOCUIUGZLNVPJ-UHFFFAOYSA-N 1 1 503.956 4.729 50 0 KJAAMO Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC([N@H+]2CCN(c3ncc(C(F)(F)F)cc3Cl)[C@@H](C)C2)CC1 ZINC000618257306 1066501707 /nfs/dbraw/zinc/50/17/07/1066501707.db2.gz UPRBVJKSXGZZSG-INIZCTEOSA-N 1 1 563.090 4.512 50 0 KJAAMO Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC([N@@H+]2CCN(c3ncc(C(F)(F)F)cc3Cl)[C@@H](C)C2)CC1 ZINC000618257306 1066501698 /nfs/dbraw/zinc/50/16/98/1066501698.db2.gz UPRBVJKSXGZZSG-INIZCTEOSA-N 1 1 563.090 4.512 50 0 KJAAMO Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC([N@H+]2CCN(c3ncc(C(F)(F)F)cc3Cl)[C@H](C)C2)CC1 ZINC000618257307 1066501887 /nfs/dbraw/zinc/50/18/87/1066501887.db2.gz UPRBVJKSXGZZSG-MRXNPFEDSA-N 1 1 563.090 4.512 50 0 KJAAMO Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC([N@@H+]2CCN(c3ncc(C(F)(F)F)cc3Cl)[C@H](C)C2)CC1 ZINC000618257307 1066501879 /nfs/dbraw/zinc/50/18/79/1066501879.db2.gz UPRBVJKSXGZZSG-MRXNPFEDSA-N 1 1 563.090 4.512 50 0 KJAAMO COc1cccc(C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3nc(-c5ccccc5)cs3)C4=O)CC2)c1 ZINC000824781029 1066504395 /nfs/dbraw/zinc/50/43/95/1066504395.db2.gz JMLXDZVUWZRYAP-UHFFFAOYSA-N 1 1 524.646 4.937 50 0 KJAAMO COc1cccc(C[N@H+]2CC[C@]34c5ccccc5N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)C4=O)c1 ZINC000952856327 1066507793 /nfs/dbraw/zinc/50/77/93/1066507793.db2.gz YOWVZJKXTSAEGD-SMCANUKXSA-N 1 1 521.621 4.501 50 0 KJAAMO CC(C)Oc1cccc(C[N@H+]2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)c1 ZINC000952856430 1066507723 /nfs/dbraw/zinc/50/77/23/1066507723.db2.gz FKJHQSSCJXTBAQ-XDFJSJKPSA-N 1 1 525.649 4.604 50 0 KJAAMO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952857008 1066508284 /nfs/dbraw/zinc/50/82/84/1066508284.db2.gz PZSUJXCZBDZUJH-KYJUHHDHSA-N 1 1 642.675 4.725 50 0 KJAAMO COc1ccc2cc1Oc1cccc(c1)CO[C@H]1C[N@H+](Cc3ccc(SC)cc3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952859650 1066508732 /nfs/dbraw/zinc/50/87/32/1066508732.db2.gz ZENVDGLHGLLDHX-WNJJXGMVSA-N 1 1 533.694 4.541 50 0 KJAAMO COc1ccc2cc1Oc1cccc(c1)CO[C@H]1C[N@@H+](Cc3ccc(SC)cc3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952859650 1066508726 /nfs/dbraw/zinc/50/87/26/1066508726.db2.gz ZENVDGLHGLLDHX-WNJJXGMVSA-N 1 1 533.694 4.541 50 0 KJAAMO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@@H+](Cc3ccc(C)c4ncccc34)C[C@@H]1OCc1cccc(c1)O2 ZINC000952861900 1066508763 /nfs/dbraw/zinc/50/87/63/1066508763.db2.gz DAJNTOIDUJLKTJ-LQJZCPKCSA-N 1 1 639.753 4.563 50 0 KJAAMO COc1ccccc1C[N@H+]1CC[C@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952862677 1066509298 /nfs/dbraw/zinc/50/92/98/1066509298.db2.gz CWIXWULKDRJAAH-SMCANUKXSA-N 1 1 521.621 4.501 50 0 KJAAMO CCN1CC(=O)N[C@H]2C[N@@H+](Cc3cccc(C)n3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952863340 1066509326 /nfs/dbraw/zinc/50/93/26/1066509326.db2.gz DUSKJAWFSVFENN-CONSDPRKSA-N 1 1 572.706 4.721 50 0 KJAAMO CCN1CC(=O)N[C@H]2C[N@H+](Cc3cccc(C)n3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952863340 1066509315 /nfs/dbraw/zinc/50/93/15/1066509315.db2.gz DUSKJAWFSVFENN-CONSDPRKSA-N 1 1 572.706 4.721 50 0 KJAAMO COc1ccc(C[N@H+]2CC[C@]34c5ccccc5N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)C4=O)cc1 ZINC000952865232 1066509821 /nfs/dbraw/zinc/50/98/21/1066509821.db2.gz VPSHFAOCGFYANV-SMCANUKXSA-N 1 1 521.621 4.501 50 0 KJAAMO O=C1N2Cc3cn(nn3)CCCOc3cccc(c3)[C@@H]3[N@@H+](Cc4ccc(F)cc4)CC[C@@]13c1ccccc12 ZINC000952972490 1066509909 /nfs/dbraw/zinc/50/99/09/1066509909.db2.gz OZQJMHOGHWRQDJ-JDXGNMNLSA-N 1 1 509.585 4.632 50 0 KJAAMO COc1cccc(C[N@H+]2CC[C@@]34c5ccccc5N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)C4=O)c1 ZINC000952979494 1066510558 /nfs/dbraw/zinc/51/05/58/1066510558.db2.gz YOWVZJKXTSAEGD-IGYGKHONSA-N 1 1 521.621 4.501 50 0 KJAAMO