smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH2+]CCc1c[nH+]c[nH]1)C(C)C)C(=O)[O-] ZINC000003824462 561683314 /nfs/dbraw/zinc/68/33/14/561683314.db2.gz RDECPKAPXFKZRQ-FKBYEOEOSA-N 1 2 501.653 1.842 1 0 KDAFLO CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH2+]CCc1c[nH]c[nH+]1)C(C)C)C(=O)[O-] ZINC000003824462 561683312 /nfs/dbraw/zinc/68/33/12/561683312.db2.gz RDECPKAPXFKZRQ-FKBYEOEOSA-N 1 2 501.653 1.842 1 0 KDAFLO CCOc1ccc(S(=O)(=O)N2CC[NH+](CCO)CC2)cc1-c1nc2c(C3CCCC3)noc2c(=O)[nH]1 ZINC000004846101 561695527 /nfs/dbraw/zinc/69/55/27/561695527.db2.gz IONSWNYPWLSPDK-UHFFFAOYSA-N 1 2 517.608 1.933 1 0 KDAFLO CC(C)(C(=O)N1CCOCC1)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1 ZINC000008214528 561705151 /nfs/dbraw/zinc/70/51/51/561705151.db2.gz PODHJNNUGIBMOP-HOQQKOLYSA-N 1 2 729.941 1.935 1 0 investigational KDAFLO CC(C)(C(=O)N1CCOCC1)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1 ZINC000008214528 561705149 /nfs/dbraw/zinc/70/51/49/561705149.db2.gz PODHJNNUGIBMOP-HOQQKOLYSA-N 1 2 729.941 1.935 1 0 investigational KDAFLO C[NH+]1CCN(S(=O)(=O)c2ccc(CCn3ncc4c5nc(-c6ccco6)nn5c(N)nc43)cc2)CC1 ZINC000013471750 561714143 /nfs/dbraw/zinc/71/41/43/561714143.db2.gz UIAWUQHFYVTKHM-UHFFFAOYSA-N 1 2 507.580 1.495 1 0 KDAFLO COc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)C(F)(F)C[NH3+])C(C)C)C(C)C)cc1 ZINC000013516122 561716736 /nfs/dbraw/zinc/71/67/36/561716736.db2.gz FGKXLMPKINEWCB-UFYCRDLUSA-N 1 2 510.582 1.745 1 0 KDAFLO Cn1c2nc3nc(NCC[NH+]4CCN(c5ccccc5)CC4)c(Br)cn3c2c(=O)n(C)c1=O ZINC000013560948 561719877 /nfs/dbraw/zinc/71/98/77/561719877.db2.gz PXZWTBDFTVDUSY-UHFFFAOYSA-N 1 2 513.400 1.277 1 0 KDAFLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1-c1nc2c([nH]1)n(CC(C)C)c(=O)n(C)c2=O ZINC000013818282 561732243 /nfs/dbraw/zinc/73/22/43/561732243.db2.gz VQWKJQIMZSXOOI-UHFFFAOYSA-N 1 2 504.613 1.081 1 0 KDAFLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1-c1nc2c([nH]1)n(CC(C)(C)C)c(=O)n(C)c2=O ZINC000013818303 561732222 /nfs/dbraw/zinc/73/22/22/561732222.db2.gz WZODXODQWQBUJQ-UHFFFAOYSA-N 1 2 518.640 1.471 1 0 KDAFLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1-c1nc2c([nH]1)n(C[C@@H](C)CC)c(=O)n(C)c2=O ZINC000013818306 561732414 /nfs/dbraw/zinc/73/24/14/561732414.db2.gz XYGCCBOIDAQYKM-INIZCTEOSA-N 1 2 518.640 1.471 1 0 KDAFLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1-c1nc2c([nH]1)n(C[C@H](C)CC)c(=O)n(C)c2=O ZINC000013818309 561732369 /nfs/dbraw/zinc/73/23/69/561732369.db2.gz XYGCCBOIDAQYKM-MRXNPFEDSA-N 1 2 518.640 1.471 1 0 KDAFLO CCCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1-c1nc2c([nH]1)n(CC(C)C)c(=O)n(C)c2=O ZINC000013818346 561732330 /nfs/dbraw/zinc/73/23/30/561732330.db2.gz KDDNMWXNVUUAFF-UHFFFAOYSA-N 1 2 518.640 1.471 1 0 KDAFLO CC(C)Cn1c2[nH]c(-c3cc(S(=O)(=O)N4CC[NH+](C)CC4)ccc3OC(C)C)nc2c(=O)n(C)c1=O ZINC000013818348 561732386 /nfs/dbraw/zinc/73/23/86/561732386.db2.gz ISOBGAUMEBQSDA-UHFFFAOYSA-N 1 2 518.640 1.470 1 0 KDAFLO CC(C)COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1-c1nc2c([nH]1)n(CC(C)C)c(=O)n(C)c2=O ZINC000013818350 561732344 /nfs/dbraw/zinc/73/23/44/561732344.db2.gz YIHKDAOTSRZNCG-UHFFFAOYSA-N 1 2 532.667 1.717 1 0 KDAFLO CCCOc1ccc(S(=O)(=O)N2CC[NH+](CC)CC2)cc1-c1nc2c([nH]1)n(CC(C)C)c(=O)n(C)c2=O ZINC000013818357 561732340 /nfs/dbraw/zinc/73/23/40/561732340.db2.gz MXOVYFQUFIHGSM-UHFFFAOYSA-N 1 2 532.667 1.861 1 0 KDAFLO CCOc1ccc(S(=O)(=O)N2CC[NH+](CC)CC2)cc1-c1nc2c([nH]1)n(CC(C)C)c(=O)n(C)c2=O ZINC000013818358 561732418 /nfs/dbraw/zinc/73/24/18/561732418.db2.gz LFBNCQLVSJQTJM-UHFFFAOYSA-N 1 2 518.640 1.471 1 0 KDAFLO NS(=O)(=O)c1cc(C(=O)N2CC[NH+](C[C@@H](O)COc3cccc4c3CCC(=O)N4)CC2)ccc1Cl ZINC000013861207 561734641 /nfs/dbraw/zinc/73/46/41/561734641.db2.gz HCAPIXOHICMRHL-MRXNPFEDSA-N 1 2 523.011 1.070 1 0 KDAFLO NS(=O)(=O)c1cc(C(=O)N2CC[NH+](C[C@H](O)COc3cccc4c3CCC(=O)N4)CC2)ccc1Cl ZINC000013861208 561734592 /nfs/dbraw/zinc/73/45/92/561734592.db2.gz HCAPIXOHICMRHL-INIZCTEOSA-N 1 2 523.011 1.070 1 0 KDAFLO C[N@H+]1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)C[C@@H]3C(N)=O)sc2C1 ZINC000014113888 561736729 /nfs/dbraw/zinc/73/67/29/561736729.db2.gz OVHHNKPYYVQCLN-LJQANCHMSA-N 1 2 534.063 1.938 1 0 in-vitro KDAFLO C[N@@H+]1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)C[C@@H]3C(N)=O)sc2C1 ZINC000014113888 561736727 /nfs/dbraw/zinc/73/67/27/561736727.db2.gz OVHHNKPYYVQCLN-LJQANCHMSA-N 1 2 534.063 1.938 1 0 in-vitro KDAFLO O=C1N(CCN2CCOCC2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CC[NH+]1CCOCC1 ZINC000014908050 561740211 /nfs/dbraw/zinc/74/02/11/561740211.db2.gz XFJDWPUDCKDRDP-XAZDILKDSA-N 1 2 552.716 1.333 1 0 KDAFLO CC(C)[C@H](CO)NC(=O)[C@@H]1[NH2+][C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000014943093 561740802 /nfs/dbraw/zinc/74/08/02/561740802.db2.gz VKKGVLUDMWPWOL-WCJVPVSSSA-N 1 2 526.703 1.973 1 0 KDAFLO CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)[NH2+][C@H]1C(=O)N[C@H](Cc1ccccc1)[C@@H](O)CC(N)=O ZINC000014943102 561740812 /nfs/dbraw/zinc/74/08/12/561740812.db2.gz KMGABVMIQPZZHU-YQGVTGCHSA-N 1 2 631.799 1.804 1 0 KDAFLO CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)[NH2+][C@H]1C(=O)N[C@H](Cc1ccccc1)[C@H](O)CC(N)=O ZINC000014943103 561740721 /nfs/dbraw/zinc/74/07/21/561740721.db2.gz KMGABVMIQPZZHU-MOYXPMDPSA-N 1 2 631.799 1.804 1 0 KDAFLO COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2C[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000014944166 561742362 /nfs/dbraw/zinc/74/23/62/561742362.db2.gz VREDQQFDKBEALJ-DYESRHJHSA-N 1 2 536.493 1.454 1 0 KDAFLO CCOC(=O)c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2C[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000014944168 561742315 /nfs/dbraw/zinc/74/23/15/561742315.db2.gz ULGQQNXZFKHRIL-XMSQKQJNSA-N 1 2 550.520 1.844 1 0 KDAFLO CC(=O)OCOC(=O)c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2C[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000014944176 561742331 /nfs/dbraw/zinc/74/23/31/561742331.db2.gz YQYBJEBDZCPCSM-AUSIDOKSSA-N 1 2 594.529 1.345 1 0 KDAFLO CC(C)N(CC[NH+]1CCOCC1)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O ZINC000014950080 561745527 /nfs/dbraw/zinc/74/55/27/561745527.db2.gz MHADKNWFCIXJMD-CPJSRVTESA-N 1 2 608.161 1.528 1 0 KDAFLO CNc1[nH+]c2ccccc2n1Cc1sc2c(c1C(=O)N1C[C@H](O)CO1)c(=O)n(C)c(=O)n2CC(C)C ZINC000014977634 561752480 /nfs/dbraw/zinc/75/24/80/561752480.db2.gz RBMGZPYCDQPSLS-AWEZNQCLSA-N 1 2 512.592 1.606 1 0 KDAFLO CC[C@]1(O)c2cc3n(c(=O)c2COC1=O)Cc1c-3nc2cc3c(cc2c1C[NH+]1CCN(C)CC1)OCO3 ZINC000022442459 561759121 /nfs/dbraw/zinc/75/91/21/561759121.db2.gz HMYGIAFIUNLLIK-MHZLTWQESA-N 1 2 504.543 1.556 1 0 KDAFLO O=C1NC(=O)C(c2ccc(Oc3ccc(Br)cc3)cc2)(N2CC[NH+](CCO)CC2)C(=O)N1 ZINC000022933625 561760477 /nfs/dbraw/zinc/76/04/77/561760477.db2.gz IOHMRAKHDYVRJZ-UHFFFAOYSA-N 1 2 503.353 1.413 1 0 KDAFLO [NH3+]CCN1CCN(C2(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)NC(=O)NC2=O)CC1 ZINC000022933640 561760493 /nfs/dbraw/zinc/76/04/93/561760493.db2.gz IUOUVCOHELGZDO-UHFFFAOYSA-N 1 2 502.369 1.379 1 0 KDAFLO CCN1[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)C(=O)NCCCn2cc[nH+]c2)Cc2cc3c(cc2S1(=O)=O)OCCO3 ZINC000025984968 561764143 /nfs/dbraw/zinc/76/41/43/561764143.db2.gz BIFVBGHLDXAKOG-XZOQPEGZSA-N 1 2 595.678 1.093 1 0 KDAFLO CCN1[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)C(=O)NCCCn2cc[nH+]c2)Cc2cc3c(cc2S1(=O)=O)OCCO3 ZINC000025984977 561764158 /nfs/dbraw/zinc/76/41/58/561764158.db2.gz BIFVBGHLDXAKOG-GOTSBHOMSA-N 1 2 595.678 1.093 1 0 KDAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 ZINC000025990895 561764705 /nfs/dbraw/zinc/76/47/05/561764705.db2.gz ZJDRDAKKIABCDV-GKFQJYPJSA-N 1 2 676.881 1.438 1 0 KDAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 ZINC000025990895 561764704 /nfs/dbraw/zinc/76/47/04/561764704.db2.gz ZJDRDAKKIABCDV-GKFQJYPJSA-N 1 2 676.881 1.438 1 0 KDAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 ZINC000025990903 561764733 /nfs/dbraw/zinc/76/47/33/561764733.db2.gz ZJDRDAKKIABCDV-STVCLKQXSA-N 1 2 676.881 1.438 1 0 KDAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 ZINC000025990903 561764731 /nfs/dbraw/zinc/76/47/31/561764731.db2.gz ZJDRDAKKIABCDV-STVCLKQXSA-N 1 2 676.881 1.438 1 0 KDAFLO CCOC(=O)N1CCN(C(=O)[C@H](Cc2ccc([C@@H]([NH3+])NN)cc2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000025994702 561764999 /nfs/dbraw/zinc/76/49/99/561764999.db2.gz BUJXACBHQZAJFM-DQEYMECFSA-N 1 2 554.673 1.451 1 0 KDAFLO CCOC(=O)N1CCN(C(=O)[C@H](Cc2ccc([C@H]([NH3+])NN)cc2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000025994710 561764958 /nfs/dbraw/zinc/76/49/58/561764958.db2.gz BUJXACBHQZAJFM-LOSJGSFVSA-N 1 2 554.673 1.451 1 0 KDAFLO NN[C@@H]([NH3+])c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 ZINC000025997832 561765201 /nfs/dbraw/zinc/76/52/01/561765201.db2.gz ATSYKJRPTVEDKS-AOYPEHQESA-N 1 2 538.674 1.279 1 0 KDAFLO NN[C@H]([NH3+])c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 ZINC000025997840 561765205 /nfs/dbraw/zinc/76/52/05/561765205.db2.gz ATSYKJRPTVEDKS-RSXGOPAZSA-N 1 2 538.674 1.279 1 0 KDAFLO CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)N2CCOCC2)OC1=O ZINC000026143442 561766917 /nfs/dbraw/zinc/76/69/17/561766917.db2.gz IYYVLVVSDIAVNT-STVCLKQXSA-N 1 2 697.834 1.756 1 0 KDAFLO CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)N2CCOCC2)OC1=O ZINC000026143442 561766916 /nfs/dbraw/zinc/76/69/16/561766916.db2.gz IYYVLVVSDIAVNT-STVCLKQXSA-N 1 2 697.834 1.756 1 0 KDAFLO CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@@H](CC(=O)N(C)CCO)Cc2ccccc2)OC1=O ZINC000026146280 561767128 /nfs/dbraw/zinc/76/71/28/561767128.db2.gz XRWIXYJMRXSNIB-GXPIJPPGSA-N 1 2 654.809 1.794 1 0 KDAFLO CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@@H](CC(=O)N(C)CCO)Cc2ccccc2)OC1=O ZINC000026146280 561767127 /nfs/dbraw/zinc/76/71/27/561767127.db2.gz XRWIXYJMRXSNIB-GXPIJPPGSA-N 1 2 654.809 1.794 1 0 KDAFLO Cn1cc(NC(=O)c2cc(NC(=O)CCNC(=O)c3cc4ccccc4cn3)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000026172748 561770226 /nfs/dbraw/zinc/77/02/26/561770226.db2.gz QYCVWSYBSJFLHL-UHFFFAOYSA-N 1 2 600.680 1.985 1 0 KDAFLO Cn1cc(NC(=O)c2ccc(NC(=O)c3cc(NC(=O)c4ccncn4)cn3C)cc2)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000026180764 561771728 /nfs/dbraw/zinc/77/17/28/561771728.db2.gz AYJHXSAZARNWKM-UHFFFAOYSA-N 1 2 599.652 1.973 1 0 KDAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1nnnn1CC(N)=O ZINC000026250198 561773888 /nfs/dbraw/zinc/77/38/88/561773888.db2.gz UJRBUHVGJLLENJ-FWEHEUNISA-N 1 2 712.878 1.653 1 0 KDAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1nnnn1CC(N)=O ZINC000026250198 561773887 /nfs/dbraw/zinc/77/38/87/561773887.db2.gz UJRBUHVGJLLENJ-FWEHEUNISA-N 1 2 712.878 1.653 1 0 KDAFLO CC(C)(C)OC(=O)NCCC(=O)NCC[NH+]1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 ZINC000026268906 561776814 /nfs/dbraw/zinc/77/68/14/561776814.db2.gz KKXXFAOJNXXFIB-UHFFFAOYSA-N 1 2 551.648 1.961 1 0 KDAFLO CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(F)cc1)N(C)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(C)on1 ZINC000026270297 561777137 /nfs/dbraw/zinc/77/71/37/561777137.db2.gz LZOUKACKKXPCHL-HQKAZHBQSA-N 1 2 625.658 1.126 1 0 KDAFLO CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(F)cc1)N(C)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(C)on1 ZINC000026270297 561777136 /nfs/dbraw/zinc/77/71/36/561777136.db2.gz LZOUKACKKXPCHL-HQKAZHBQSA-N 1 2 625.658 1.126 1 0 KDAFLO CCOC(=O)[C@@H](C)n1nnn(CC[NH+]2CCC(C(=O)OC)(N(C(=O)CC)c3ccccc3)CC2)c1=O ZINC000026380128 561783218 /nfs/dbraw/zinc/78/32/18/561783218.db2.gz HXEUORVIJKTXBR-GOSISDBHSA-N 1 2 502.572 1.015 1 0 KDAFLO CCOC(=O)[C@H](C)n1nnn(CC[NH+]2CCC(C(=O)OC)(N(C(=O)CC)c3ccccc3)CC2)c1=O ZINC000026380131 561783233 /nfs/dbraw/zinc/78/32/33/561783233.db2.gz HXEUORVIJKTXBR-SFHVURJKSA-N 1 2 502.572 1.015 1 0 KDAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N(C)CCO ZINC000026382725 561783572 /nfs/dbraw/zinc/78/35/72/561783572.db2.gz DRJKKOJWAZDQPP-VFFRCKCKSA-N 1 2 628.815 1.905 1 0 KDAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N(C)CCO ZINC000026382725 561783570 /nfs/dbraw/zinc/78/35/70/561783570.db2.gz DRJKKOJWAZDQPP-VFFRCKCKSA-N 1 2 628.815 1.905 1 0 KDAFLO CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[NH+]1CCOCC1)NC(=O)OCc1ccccc1 ZINC000026382800 561783716 /nfs/dbraw/zinc/78/37/16/561783716.db2.gz AWNBPRWXAGBSTQ-LXYWRLHTSA-N 1 2 651.761 1.601 1 0 KDAFLO 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OJUIXDNZVXSATE-HVRNLMOBSA-N 1 2 742.926 1.075 1 0 KDAFLO CCOC(=O)CN1CC[NH+](C[C@@H]2CN(c3ccc(C(=N)NC(=O)c4ccc(OC)cc4)cc3)C(=O)O2)CC1 ZINC000026489402 561793015 /nfs/dbraw/zinc/79/30/15/561793015.db2.gz WQHBPTPTWDFAKK-HSZRJFAPSA-N 1 2 523.590 1.956 1 0 KDAFLO C[C@H](O)[C@H](NC(=O)c1csc(-c2ccccc2)n1)c1nc(C(=O)N2CC[NH+](CCOCCO)CC2)cs1 ZINC000026495614 561794345 /nfs/dbraw/zinc/79/43/45/561794345.db2.gz GOMUGQKHKJZKAR-UWJYYQICSA-N 1 2 545.687 1.885 1 0 KDAFLO NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026502047 561795812 /nfs/dbraw/zinc/79/58/12/561795812.db2.gz QJOLYQFMHYAVRI-KCHLEUMXSA-N 1 2 598.660 1.893 1 0 KDAFLO NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026502047 561795811 /nfs/dbraw/zinc/79/58/11/561795811.db2.gz QJOLYQFMHYAVRI-KCHLEUMXSA-N 1 2 598.660 1.893 1 0 KDAFLO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(N)=O ZINC000026502636 561795915 /nfs/dbraw/zinc/79/59/15/561795915.db2.gz DSBTVXBPCWLJPG-HJOGWXRNSA-N 1 2 534.617 1.601 1 0 KDAFLO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(N)=O ZINC000026502636 561795914 /nfs/dbraw/zinc/79/59/14/561795914.db2.gz DSBTVXBPCWLJPG-HJOGWXRNSA-N 1 2 534.617 1.601 1 0 KDAFLO NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000026504422 561796271 /nfs/dbraw/zinc/79/62/71/561796271.db2.gz UCQWPCBOGUOBDO-QKDODKLFSA-N 1 2 578.629 1.557 1 0 KDAFLO NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000026504422 561796269 /nfs/dbraw/zinc/79/62/69/561796269.db2.gz UCQWPCBOGUOBDO-QKDODKLFSA-N 1 2 578.629 1.557 1 0 KDAFLO NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 ZINC000026506564 561796695 /nfs/dbraw/zinc/79/66/95/561796695.db2.gz LRDFDPKBCXURGT-KCHLEUMXSA-N 1 2 598.660 1.893 1 0 KDAFLO 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ZINC000026669007 561811891 /nfs/dbraw/zinc/81/18/91/561811891.db2.gz QCOQYIWZQONYHM-KETPNPIJSA-N 1 2 500.548 1.564 1 0 KDAFLO CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1[nH+]ccn1C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000026671228 561812428 /nfs/dbraw/zinc/81/24/28/561812428.db2.gz SDVFYQYFFHXBRD-PGLTYONOSA-N 1 2 598.701 1.658 1 0 KDAFLO CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1[nH]cc[nH+]1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000026671232 561812393 /nfs/dbraw/zinc/81/23/93/561812393.db2.gz RJKUUSNNGVHMST-BXQWANJWSA-N 1 2 584.674 1.648 1 0 KDAFLO CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC[NH+]1CCOCC1)NC(=O)OCc1ccccc1 ZINC000026674904 561813788 /nfs/dbraw/zinc/81/37/88/561813788.db2.gz HLHDNMIZGUGUSD-OVOIGTFDSA-N 1 2 665.788 1.991 1 0 KDAFLO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(OCC[N@H+]4CCO[C@@H](CO)C4)cc(=O)oc3c2C)OC1(C)C ZINC000026723052 561815573 /nfs/dbraw/zinc/81/55/73/561815573.db2.gz JWHKPSQTSTYHAM-GARYQPKFSA-N 1 2 616.664 1.925 1 0 KDAFLO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(OCC[N@@H+]4CCO[C@@H](CO)C4)cc(=O)oc3c2C)OC1(C)C ZINC000026723052 561815572 /nfs/dbraw/zinc/81/55/72/561815572.db2.gz JWHKPSQTSTYHAM-GARYQPKFSA-N 1 2 616.664 1.925 1 0 KDAFLO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(OCC[N@H+]4CCO[C@H](CO)C4)cc(=O)oc3c2C)OC1(C)C ZINC000026723060 561815539 /nfs/dbraw/zinc/81/55/39/561815539.db2.gz JWHKPSQTSTYHAM-INLKFKTFSA-N 1 2 616.664 1.925 1 0 KDAFLO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(OCC[N@@H+]4CCO[C@H](CO)C4)cc(=O)oc3c2C)OC1(C)C ZINC000026723060 561815538 /nfs/dbraw/zinc/81/55/38/561815538.db2.gz JWHKPSQTSTYHAM-INLKFKTFSA-N 1 2 616.664 1.925 1 0 KDAFLO C[N@H+]1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)C[C@@H]3C(=O)NCC(N)=O)sc2C1 ZINC000026743463 561818397 /nfs/dbraw/zinc/81/83/97/561818397.db2.gz HUPJLHISIYNDCX-HXUWFJFHSA-N 1 2 591.115 1.054 1 0 KDAFLO C[N@@H+]1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)C[C@@H]3C(=O)NCC(N)=O)sc2C1 ZINC000026743463 561818395 /nfs/dbraw/zinc/81/83/95/561818395.db2.gz HUPJLHISIYNDCX-HXUWFJFHSA-N 1 2 591.115 1.054 1 0 KDAFLO C[N@H+]1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)C[C@@H]3C(=O)NCC(=O)N3CCOCC3)sc2C1 ZINC000026743468 561818403 /nfs/dbraw/zinc/81/84/03/561818403.db2.gz GVXHMMYLTXLYHC-XMMPIXPASA-N 1 2 661.206 1.428 1 0 KDAFLO C[N@@H+]1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)C[C@@H]3C(=O)NCC(=O)N3CCOCC3)sc2C1 ZINC000026743468 561818400 /nfs/dbraw/zinc/81/84/00/561818400.db2.gz GVXHMMYLTXLYHC-XMMPIXPASA-N 1 2 661.206 1.428 1 0 KDAFLO CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]c[nH+]2)NC1=O ZINC000026747936 561819184 /nfs/dbraw/zinc/81/91/84/561819184.db2.gz GCQMCGJQBMHUAZ-MZNNLDTISA-N 1 2 657.772 1.133 1 0 KDAFLO CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH+]c[nH]2)NC1=O ZINC000026747936 561819183 /nfs/dbraw/zinc/81/91/83/561819183.db2.gz GCQMCGJQBMHUAZ-MZNNLDTISA-N 1 2 657.772 1.133 1 0 KDAFLO COc1ccc(C([NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)(C(N)=O)c2ccc(OC)cc2)cc1 ZINC000026828567 561822523 /nfs/dbraw/zinc/82/25/23/561822523.db2.gz SAYIBVPKGBUISH-QHCPKHFHSA-N 1 2 515.588 1.833 1 0 KDAFLO CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)[NH2+][C@H]1C(=O)N[C@H](Cc1ccccc1)[C@H](O)CC(=O)NCCO ZINC000026840510 561825706 /nfs/dbraw/zinc/82/57/06/561825706.db2.gz VUMYOEOGMSTKBP-FKAGININSA-N 1 2 675.852 1.427 1 0 KDAFLO CCNC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NCCNC(=O)[C@@H]2[NH2+][C@@H](CNC(=O)Cc3ccccc3)SC2(C)C)C(C)(C)S1 ZINC000026841952 561825899 /nfs/dbraw/zinc/82/58/99/561825899.db2.gz NRHQSCBNXQVHDR-HPLNQGHOSA-N 1 2 711.955 1.061 1 0 KDAFLO CC1(C)S[C@H](CNC(=O)Cc2ccccc2)N[C@H]1C(=O)NCCNC(=O)[C@@H]1[NH2+][C@@H](CNC(=O)Cc2ccccc2)SC1(C)C ZINC000026841958 561826005 /nfs/dbraw/zinc/82/60/05/561826005.db2.gz WEWOEWMQDXTZHN-VIJSPRBVSA-N 1 2 640.876 1.556 1 0 KDAFLO CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)[NH2+][C@H]1C(=O)N[C@H](Cc1ccccc1)[C@H](O)CC(=O)NCCCO ZINC000026846132 561826475 /nfs/dbraw/zinc/82/64/75/561826475.db2.gz HXJSATUOCIKVSP-CNWNPRAGSA-N 1 2 689.879 1.817 1 0 KDAFLO CC1=CCN(C(=O)[C@H](Cc2ccc(C(N)=[NH2+])cc2)NS(=O)(=O)c2ccc3c(c2)C[N@@H+](C)CC3)[C@@H](C(=O)[O-])C1 ZINC000027085808 561836274 /nfs/dbraw/zinc/83/62/74/561836274.db2.gz ZDHBBBQAVLNJBL-BJKOFHAPSA-N 1 2 539.658 1.480 1 0 KDAFLO CC1=CCN(C(=O)[C@H](Cc2ccc(C(N)=[NH2+])cc2)NS(=O)(=O)c2ccc3c(c2)C[N@H+](C)CC3)[C@@H](C(=O)[O-])C1 ZINC000027085808 561836273 /nfs/dbraw/zinc/83/62/73/561836273.db2.gz ZDHBBBQAVLNJBL-BJKOFHAPSA-N 1 2 539.658 1.480 1 0 KDAFLO CC(C)(C)[C@H]([NH2+]CCCc1c[nH]c[nH+]1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000027183345 561842102 /nfs/dbraw/zinc/84/21/02/561842102.db2.gz RXNSVMOCVKTVBN-QNWVGRARSA-N 1 2 526.638 1.135 1 0 KDAFLO CC(C)(C)[C@H]([NH2+]CCCc1c[nH+]c[nH]1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000027183345 561842099 /nfs/dbraw/zinc/84/20/99/561842099.db2.gz RXNSVMOCVKTVBN-QNWVGRARSA-N 1 2 526.638 1.135 1 0 KDAFLO NC(=[NH2+])c1csc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([NH2+]CC(=O)[O-])C(c2ccccc2)c2ccccc2)n1 ZINC000027186527 561842657 /nfs/dbraw/zinc/84/26/57/561842657.db2.gz PNRJDXLLDVWYNY-GBXCKJPGSA-N 1 2 534.642 1.909 1 0 KDAFLO CC(C)(C)NC(=O)[C@@H]1CSCN1C[C@@H](O)CNC(=O)[C@@H]1[NH2+][C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000027194118 561843989 /nfs/dbraw/zinc/84/39/89/561843989.db2.gz LGOIPFJTVRLGQS-HQUBPGAVSA-N 1 2 684.929 1.607 1 0 KDAFLO CC(C)(C)NC(=O)[C@@H]1CSCN1C[C@H](O)CNC(=O)[C@@H]1[NH2+][C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000027194124 561843981 /nfs/dbraw/zinc/84/39/81/561843981.db2.gz LGOIPFJTVRLGQS-NQPPXCKOSA-N 1 2 684.929 1.607 1 0 KDAFLO O=C(/C=C/c1ccccc1)N[C@H]1COC(=O)CCC[C@H](C[NH+]2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O ZINC000027200448 561845102 /nfs/dbraw/zinc/84/51/02/561845102.db2.gz YCOIIHDSLBTVOU-XDJWFVSOSA-N 1 2 599.725 1.972 1 0 KDAFLO O=C(COc1ccccc1)N[C@H]1COC(=O)CCC[C@H](C[NH+]2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O ZINC000027200454 561845052 /nfs/dbraw/zinc/84/50/52/561845052.db2.gz PLGNSUDOWASPAQ-DAMQTCOWSA-N 1 2 603.713 1.337 1 0 KDAFLO COC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1 ZINC000027213283 561847729 /nfs/dbraw/zinc/84/77/29/561847729.db2.gz LSIKPODACVEYIE-LEOXJPRUSA-N 1 2 521.574 1.652 1 0 KDAFLO COC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1 ZINC000027213283 561847728 /nfs/dbraw/zinc/84/77/28/561847728.db2.gz LSIKPODACVEYIE-LEOXJPRUSA-N 1 2 521.574 1.652 1 0 KDAFLO COC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1 ZINC000027213285 561847719 /nfs/dbraw/zinc/84/77/19/561847719.db2.gz LSIKPODACVEYIE-TZYHBYERSA-N 1 2 521.574 1.652 1 0 KDAFLO COC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1 ZINC000027213285 561847717 /nfs/dbraw/zinc/84/77/17/561847717.db2.gz LSIKPODACVEYIE-TZYHBYERSA-N 1 2 521.574 1.652 1 0 KDAFLO COC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1 ZINC000027298952 561848726 /nfs/dbraw/zinc/84/87/26/561848726.db2.gz TXPLEFHPUNFNSB-VXKWHMMOSA-N 1 2 507.547 1.264 1 0 KDAFLO COC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1 ZINC000027298952 561848724 /nfs/dbraw/zinc/84/87/24/561848724.db2.gz TXPLEFHPUNFNSB-VXKWHMMOSA-N 1 2 507.547 1.264 1 0 KDAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4cn5cccnc5n4)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000027305282 561849480 /nfs/dbraw/zinc/84/94/80/561849480.db2.gz UHXZUYPEUROCHO-UHFFFAOYSA-N 1 2 598.668 1.978 1 0 KDAFLO CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O ZINC000027309025 561850367 /nfs/dbraw/zinc/85/03/67/561850367.db2.gz UDNIQKUXSMSUBQ-PIVQSOLLSA-N 1 2 716.884 1.462 1 0 KDAFLO CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O ZINC000027309025 561850366 /nfs/dbraw/zinc/85/03/66/561850366.db2.gz UDNIQKUXSMSUBQ-PIVQSOLLSA-N 1 2 716.884 1.462 1 0 KDAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4csnn4)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000027309632 561850483 /nfs/dbraw/zinc/85/04/83/561850483.db2.gz ZTMXHWNYFHHALS-UHFFFAOYSA-N 1 2 565.660 1.787 1 0 KDAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)Cc1c[nH+]c[nH]1)C2 ZINC000027317437 561851956 /nfs/dbraw/zinc/85/19/56/561851956.db2.gz SVYBGAZMDDWRJQ-XOTYSKHWSA-N 1 2 701.912 1.936 1 0 KDAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)Cc1c[nH]c[nH+]1)C2 ZINC000027317437 561851955 /nfs/dbraw/zinc/85/19/55/561851955.db2.gz SVYBGAZMDDWRJQ-XOTYSKHWSA-N 1 2 701.912 1.936 1 0 KDAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)Cc1c[nH+]c[nH]1)C2 ZINC000027317444 561851930 /nfs/dbraw/zinc/85/19/30/561851930.db2.gz SVYBGAZMDDWRJQ-GPIMOWKRSA-N 1 2 701.912 1.936 1 0 KDAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)Cc1c[nH]c[nH+]1)C2 ZINC000027317444 561851929 /nfs/dbraw/zinc/85/19/29/561851929.db2.gz SVYBGAZMDDWRJQ-GPIMOWKRSA-N 1 2 701.912 1.936 1 0 KDAFLO C[C@@H]1CC[C@@H](O)[C@H]1NC(=O)[C@H](Cc1cccnc1)C[C@H](O)CN1CC[N@@H+](Cc2cccnc2)C[C@H]1C(=O)NC(C)(C)C ZINC000027563173 561871181 /nfs/dbraw/zinc/87/11/81/561871181.db2.gz HVCDKSYJUISXJG-QXWPFBKNSA-N 1 2 580.774 1.763 1 0 KDAFLO C[C@@H]1CC[C@@H](O)[C@H]1NC(=O)[C@H](Cc1cccnc1)C[C@H](O)CN1CC[N@H+](Cc2cccnc2)C[C@H]1C(=O)NC(C)(C)C ZINC000027563173 561871180 /nfs/dbraw/zinc/87/11/80/561871180.db2.gz HVCDKSYJUISXJG-QXWPFBKNSA-N 1 2 580.774 1.763 1 0 KDAFLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1C(=O)NCc1ccccc1)C(C)C ZINC000027617235 561872038 /nfs/dbraw/zinc/87/20/38/561872038.db2.gz UZEHUVMKCUHXQX-WRZYSUBXSA-N 1 2 692.862 1.332 1 0 KDAFLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1C(=O)NCc1ccccc1)C(C)C ZINC000027617235 561872036 /nfs/dbraw/zinc/87/20/36/561872036.db2.gz UZEHUVMKCUHXQX-WRZYSUBXSA-N 1 2 692.862 1.332 1 0 KDAFLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)NCc1ccccc1)C(C)C ZINC000027617241 561872030 /nfs/dbraw/zinc/87/20/30/561872030.db2.gz UZEHUVMKCUHXQX-OMHFMZGQSA-N 1 2 692.862 1.332 1 0 KDAFLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)NCc1ccccc1)C(C)C ZINC000027617241 561872028 /nfs/dbraw/zinc/87/20/28/561872028.db2.gz UZEHUVMKCUHXQX-OMHFMZGQSA-N 1 2 692.862 1.332 1 0 KDAFLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1C(=O)NCc1ccccc1)C(C)C ZINC000027617246 561871971 /nfs/dbraw/zinc/87/19/71/561871971.db2.gz UZEHUVMKCUHXQX-IOTTWRDDSA-N 1 2 692.862 1.332 1 0 KDAFLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1C(=O)NCc1ccccc1)C(C)C ZINC000027617246 561871969 /nfs/dbraw/zinc/87/19/69/561871969.db2.gz UZEHUVMKCUHXQX-IOTTWRDDSA-N 1 2 692.862 1.332 1 0 KDAFLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@H]1C(=O)NCc1ccccc1)C(C)C ZINC000027617252 561871919 /nfs/dbraw/zinc/87/19/19/561871919.db2.gz UZEHUVMKCUHXQX-IPNCMXSSSA-N 1 2 692.862 1.332 1 0 KDAFLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@H]1C(=O)NCc1ccccc1)C(C)C ZINC000027617252 561871917 /nfs/dbraw/zinc/87/19/17/561871917.db2.gz UZEHUVMKCUHXQX-IPNCMXSSSA-N 1 2 692.862 1.332 1 0 KDAFLO C[C@@H]1CC[C@@H](O)[C@H]1NC(=O)[C@@H](C[C@H](O)CN1CC[N@@H+](Cc2cccnc2)C[C@H]1C(=O)NC(C)(C)C)CC1CC1 ZINC000027624797 561873140 /nfs/dbraw/zinc/87/31/40/561873140.db2.gz ORPCMGUPJFBZCR-XOXNVLTOSA-N 1 2 543.753 1.925 1 0 KDAFLO C[C@@H]1CC[C@@H](O)[C@H]1NC(=O)[C@@H](C[C@H](O)CN1CC[N@H+](Cc2cccnc2)C[C@H]1C(=O)NC(C)(C)C)CC1CC1 ZINC000027624797 561873139 /nfs/dbraw/zinc/87/31/39/561873139.db2.gz ORPCMGUPJFBZCR-XOXNVLTOSA-N 1 2 543.753 1.925 1 0 KDAFLO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)COC(=O)C(C)(C)C ZINC000027713005 561879923 /nfs/dbraw/zinc/87/99/23/561879923.db2.gz AIVLRUHSRSDVJP-VFFRCKCKSA-N 1 2 728.888 1.740 1 0 KDAFLO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)COC(=O)C(C)(C)C ZINC000027713005 561879921 /nfs/dbraw/zinc/87/99/21/561879921.db2.gz AIVLRUHSRSDVJP-VFFRCKCKSA-N 1 2 728.888 1.740 1 0 KDAFLO 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ZINC000027749557 581099666 /nfs/dbraw/zinc/09/96/66/581099666.db2.gz RZMOWKJDMKEJNI-DGPQKAOFSA-N 1 2 579.698 1.992 1 0 KDAFLO COC(=O)[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](CC(=O)N(C)C)Cc1cccc2ccccc21 ZINC000027749557 581099665 /nfs/dbraw/zinc/09/96/65/581099665.db2.gz RZMOWKJDMKEJNI-DGPQKAOFSA-N 1 2 579.698 1.992 1 0 KDAFLO COC(=O)[C@H](O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](CC(=O)N(C)C)Cc1cccc2ccccc21 ZINC000027749565 581099697 /nfs/dbraw/zinc/09/96/97/581099697.db2.gz RZMOWKJDMKEJNI-WKZNCHQYSA-N 1 2 579.698 1.992 1 0 KDAFLO COC(=O)[C@H](O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](CC(=O)N(C)C)Cc1cccc2ccccc21 ZINC000027749565 581099696 /nfs/dbraw/zinc/09/96/96/581099696.db2.gz RZMOWKJDMKEJNI-WKZNCHQYSA-N 1 2 579.698 1.992 1 0 KDAFLO COC(=O)[C@@H](O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](CC(=O)N(C)C)Cc1cccc2ccccc21 ZINC000027749575 581099621 /nfs/dbraw/zinc/09/96/21/581099621.db2.gz RZMOWKJDMKEJNI-XOEMUTSUSA-N 1 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ZINC000027875522 561888460 /nfs/dbraw/zinc/88/84/60/561888460.db2.gz CQSZAGYICKRCBC-FGZHOGPDSA-N 1 2 550.659 1.614 1 0 KDAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CO ZINC000028096171 561900792 /nfs/dbraw/zinc/90/07/92/561900792.db2.gz VQGRKXKDPGOWAP-CQJMVLFOSA-N 1 2 565.671 1.654 1 0 KDAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CO ZINC000028096171 561900790 /nfs/dbraw/zinc/90/07/90/561900790.db2.gz VQGRKXKDPGOWAP-CQJMVLFOSA-N 1 2 565.671 1.654 1 0 KDAFLO CCOc1ccc(S(=O)(=O)N2CC[NH+](CCO)CC2)cc1-c1nc2c(C3CCCC3)nn(C)c2c(=O)[nH]1 ZINC000028136101 561906569 /nfs/dbraw/zinc/90/65/69/561906569.db2.gz KQRMPLPRESELFZ-UHFFFAOYSA-N 1 2 530.651 1.679 1 0 KDAFLO CCOc1ccc(S(=O)(=O)N2CC[NH+](CCO)CC2)cc1-c1nn2c(C3CCCC3)nc(C)c2c(=O)[nH]1 ZINC000028352096 561915655 /nfs/dbraw/zinc/91/56/55/561915655.db2.gz JKKDCZMQLGLGTR-UHFFFAOYSA-N 1 2 530.651 1.748 1 0 KDAFLO CCOc1ccc(S(=O)(=O)N2CC[NH+](CCO)CC2)cc1-c1nn2c(nnc2C2CCCC2)c(=O)[nH]1 ZINC000028357688 561916327 /nfs/dbraw/zinc/91/63/27/561916327.db2.gz IIAVPMKYQFDZFA-UHFFFAOYSA-N 1 2 517.612 1.247 1 0 KDAFLO COc1cncc(-c2cnc(C(C)(C)[N@H+]3CCN(C[C@@H](O)C[C@@H](Cc4nnc(C)o4)C(=O)N[C@H]4CCOC[C@H]4O)[C@H](C(=O)NCC(F)(F)F)C3)o2)c1 ZINC000028369597 561918071 /nfs/dbraw/zinc/91/80/71/561918071.db2.gz ZVPJBFHUHHUBCF-XJKNWJJUSA-N 1 2 738.765 1.212 1 0 KDAFLO COc1cncc(-c2cnc(C(C)(C)[N@@H+]3CCN(C[C@@H](O)C[C@@H](Cc4nnc(C)o4)C(=O)N[C@H]4CCOC[C@H]4O)[C@H](C(=O)NCC(F)(F)F)C3)o2)c1 ZINC000028369597 561918070 /nfs/dbraw/zinc/91/80/70/561918070.db2.gz ZVPJBFHUHHUBCF-XJKNWJJUSA-N 1 2 738.765 1.212 1 0 KDAFLO CC(C)(c1ncc(-c2ccc(F)cc2)o1)[N@H+]1CCN(C[C@@H](O)C[C@@H](Cc2nnco2)C(=O)N[C@H]2CCOC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000028380709 561919940 /nfs/dbraw/zinc/91/99/40/561919940.db2.gz FLLVQQRJCGBSNV-XFASLETNSA-N 1 2 711.714 1.639 1 0 KDAFLO CC(C)(c1ncc(-c2ccc(F)cc2)o1)[N@@H+]1CCN(C[C@@H](O)C[C@@H](Cc2nnco2)C(=O)N[C@H]2CCOC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000028380709 561919939 /nfs/dbraw/zinc/91/99/39/561919939.db2.gz FLLVQQRJCGBSNV-XFASLETNSA-N 1 2 711.714 1.639 1 0 KDAFLO Cc1nnc(C[C@H](C[C@H](O)CN2CC[N@H+](C(C)(C)c3ncc(-c4ccc(F)cc4)o3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@H]2CCOC[C@H]2O)o1 ZINC000028380716 561920161 /nfs/dbraw/zinc/92/01/61/561920161.db2.gz KFUUMXDWXVCXQA-YZUYXXDVSA-N 1 2 725.741 1.948 1 0 KDAFLO Cc1nnc(C[C@H](C[C@H](O)CN2CC[N@@H+](C(C)(C)c3ncc(-c4ccc(F)cc4)o3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@H]2CCOC[C@H]2O)o1 ZINC000028380716 561920160 /nfs/dbraw/zinc/92/01/60/561920160.db2.gz KFUUMXDWXVCXQA-YZUYXXDVSA-N 1 2 725.741 1.948 1 0 KDAFLO COc1cc2c(cc1OCC[NH+]1CCOCC1)ncnc2N1CCN(C(=S)NCc2cnc(C)cn2)CC1 ZINC000028387132 561921448 /nfs/dbraw/zinc/92/14/48/561921448.db2.gz URKTWKNEBOKMRA-UHFFFAOYSA-N 1 2 538.678 1.645 1 0 KDAFLO Cc1ncc(CO)c(CNc2nc(Nc3ccc(S(N)(=O)=O)cc3)nc(NCc3c(CO)cnc(C)c3O)[nH+]2)c1O 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CC(=O)N1CC[NH+]([C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 ZINC000028639079 561942442 /nfs/dbraw/zinc/94/24/42/561942442.db2.gz CWLVAGOJKPXFPJ-WNWUTZSISA-N 1 2 691.833 1.703 1 0 KDAFLO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(c3cn4cnc(C(=O)c5ccc[n+](CC[NH+](C)C)c5)c4s3)[C@H](C)[C@H]12 ZINC000028640373 561942932 /nfs/dbraw/zinc/94/29/32/561942932.db2.gz HELBILKMSKTHEU-GOYGXENFSA-O 1 2 510.596 1.129 1 0 KDAFLO CC(C)NC(=O)c1ccc2c(c1)C[C@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c1cn(C)cn1)CN2Cc1c[nH+]cn1C ZINC000028816107 561963978 /nfs/dbraw/zinc/96/39/78/561963978.db2.gz RKELEXVEYHHIPU-QFIPXVFZSA-N 1 2 584.747 1.829 1 0 KDAFLO CC(C)NC(=O)c1ccc2c(c1)C[C@@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c1cn(C)cn1)CN2Cc1c[nH+]cn1C ZINC000028816109 561963957 /nfs/dbraw/zinc/96/39/57/561963957.db2.gz RKELEXVEYHHIPU-JOCHJYFZSA-N 1 2 584.747 1.829 1 0 KDAFLO CNC(=O)c1ccc2c(c1)C[C@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c1cn(C)cn1)CN2Cc1c[nH+]cn1C ZINC000028816122 561963972 /nfs/dbraw/zinc/96/39/72/561963972.db2.gz JRKVZRFGFAMAHD-FQEVSTJZSA-N 1 2 556.693 1.050 1 0 KDAFLO CNC(=O)c1ccc2c(c1)C[C@@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c1cn(C)cn1)CN2Cc1c[nH+]cn1C ZINC000028816124 561963898 /nfs/dbraw/zinc/96/38/98/561963898.db2.gz JRKVZRFGFAMAHD-HXUWFJFHSA-N 1 2 556.693 1.050 1 0 KDAFLO CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(Cl)cc2)[NH2+]CCOc2ccccc2CCCNC(=O)[C@H](CNC(N)=O)NC1=O ZINC000028823458 561968199 /nfs/dbraw/zinc/96/81/99/561968199.db2.gz BMHBWTHUOWRLMU-GIFXNVAJSA-N 1 2 587.121 1.276 1 0 KDAFLO Cc1nnnn1C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)[NH2+]CCOc2ccccc2CCCNC1=O ZINC000028823471 561968241 /nfs/dbraw/zinc/96/82/41/561968241.db2.gz MQZRKGFBDTZMAW-CMTIAEDTSA-N 1 2 644.699 1.968 1 0 KDAFLO C[C@@H]1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1c[nH]c2c1ccnc2-n1cc(C[NH+](C)C)nn1 ZINC000028827030 561971539 /nfs/dbraw/zinc/97/15/39/561971539.db2.gz VLWKVXAOJONEGL-QGZVFWFLSA-N 1 2 508.608 1.740 1 0 KDAFLO C[C@H]1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1c[nH]c2c1ccnc2-n1cc(C[NH+](C)C)nn1 ZINC000028827031 561971519 /nfs/dbraw/zinc/97/15/19/561971519.db2.gz VLWKVXAOJONEGL-KRWDZBQOSA-N 1 2 508.608 1.740 1 0 KDAFLO Cn1cnc(S(=O)(=O)N(CC(=O)NC(C)(C)C)[C@@H]2Cc3cc(Br)ccc3N(Cc3c[nH+]cn3C)C2=O)c1 ZINC000028965409 561984912 /nfs/dbraw/zinc/98/49/12/561984912.db2.gz ZOTYYABVMNRBGI-HXUWFJFHSA-N 1 2 592.520 1.980 1 0 KDAFLO Cn1cnc(S(=O)(=O)N(CC(=O)NC(C)(C)C)[C@H]2Cc3cc(Br)ccc3N(Cc3c[nH+]cn3C)C2=O)c1 ZINC000028965413 561984918 /nfs/dbraw/zinc/98/49/18/561984918.db2.gz ZOTYYABVMNRBGI-FQEVSTJZSA-N 1 2 592.520 1.980 1 0 KDAFLO COc1cc2[nH+]c(N3CCCN(C(=O)N4C[C@H](O)[C@@H](O)C4)CC3)nc(Nc3ccccn3)c2cc1OC ZINC000029042232 561991479 /nfs/dbraw/zinc/99/14/79/561991479.db2.gz XZARZPFYWWFYGA-OALUTQOASA-N 1 2 509.567 1.455 1 0 KDAFLO CC(C)CCn1nc(-c2cccs2)c(O)c(C2=NS(=O)(=O)c3cc(NS(=O)(=O)CC[NH3+])ccc3N2)c1=O ZINC000029046715 561993006 /nfs/dbraw/zinc/99/30/06/561993006.db2.gz PLFXFJUFSRWQKF-UHFFFAOYSA-N 1 2 566.687 1.985 1 0 KDAFLO Cc1[nH+]cn(CC(=O)NN2CCOCC2)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O ZINC000029125679 561997950 /nfs/dbraw/zinc/99/79/50/561997950.db2.gz XSJSAFNTTCINDW-UHFFFAOYSA-N 1 2 514.608 1.015 1 0 KDAFLO C[NH+]1CCN(C(=O)[C@H]2S[C@@H](n3cnc4c3nc(Cl)nc4NCc3cccc(I)c3)[C@H](O)[C@@H]2O)CC1 ZINC000029128132 562000579 /nfs/dbraw/zinc/00/05/79/562000579.db2.gz MYBNXQKFNAUZPY-GRXQJBFDSA-N 1 2 629.912 1.806 1 0 KDAFLO C[N@H+]1CCc2nc(C(=O)N[C@@H]3CN(C(=O)CO)CC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000029128440 562000836 /nfs/dbraw/zinc/00/08/36/562000836.db2.gz VHBPSKASYKLQAU-QFBILLFUSA-N 1 2 531.038 1.387 1 0 KDAFLO C[N@@H+]1CCc2nc(C(=O)N[C@@H]3CN(C(=O)CO)CC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000029128440 562000834 /nfs/dbraw/zinc/00/08/34/562000834.db2.gz VHBPSKASYKLQAU-QFBILLFUSA-N 1 2 531.038 1.387 1 0 KDAFLO C[N@H+]1CCc2nc(C(=O)N[C@@H]3CCN(S(C)(=O)=O)C[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000029128486 562000949 /nfs/dbraw/zinc/00/09/49/562000949.db2.gz GTRHBKNWTACPMR-APWZRJJASA-N 1 2 551.094 1.828 1 0 KDAFLO C[N@@H+]1CCc2nc(C(=O)N[C@@H]3CCN(S(C)(=O)=O)C[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000029128486 562000948 /nfs/dbraw/zinc/00/09/48/562000948.db2.gz GTRHBKNWTACPMR-APWZRJJASA-N 1 2 551.094 1.828 1 0 KDAFLO C[N@H+]1CCc2nc(C(=O)N[C@H]3CCN(S(C)(=O)=O)C[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000029128487 562000970 /nfs/dbraw/zinc/00/09/70/562000970.db2.gz GTRHBKNWTACPMR-LPHOPBHVSA-N 1 2 551.094 1.828 1 0 KDAFLO C[N@@H+]1CCc2nc(C(=O)N[C@H]3CCN(S(C)(=O)=O)C[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000029128487 562000969 /nfs/dbraw/zinc/00/09/69/562000969.db2.gz GTRHBKNWTACPMR-LPHOPBHVSA-N 1 2 551.094 1.828 1 0 KDAFLO C[N@H+]1CCc2nc(C(=O)N[C@@H]3CN(S(C)(=O)=O)CC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000029128538 562001018 /nfs/dbraw/zinc/00/10/18/562001018.db2.gz JYKZDTHDFRXKQT-QFBILLFUSA-N 1 2 551.094 1.828 1 0 KDAFLO C[N@@H+]1CCc2nc(C(=O)N[C@@H]3CN(S(C)(=O)=O)CC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000029128538 562001016 /nfs/dbraw/zinc/00/10/16/562001016.db2.gz JYKZDTHDFRXKQT-QFBILLFUSA-N 1 2 551.094 1.828 1 0 KDAFLO C[N@H+]1CCc2nc(C(=O)N[C@H]3CN(S(C)(=O)=O)CC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000029128539 562000975 /nfs/dbraw/zinc/00/09/75/562000975.db2.gz JYKZDTHDFRXKQT-LPHOPBHVSA-N 1 2 551.094 1.828 1 0 KDAFLO C[N@@H+]1CCc2nc(C(=O)N[C@H]3CN(S(C)(=O)=O)CC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000029128539 562000974 /nfs/dbraw/zinc/00/09/74/562000974.db2.gz JYKZDTHDFRXKQT-LPHOPBHVSA-N 1 2 551.094 1.828 1 0 KDAFLO C[N@H+]1CCc2nc(C(=O)N[C@H]3CN(C(=O)CO)CC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000029128943 562001439 /nfs/dbraw/zinc/00/14/39/562001439.db2.gz VHBPSKASYKLQAU-LPHOPBHVSA-N 1 2 531.038 1.387 1 0 KDAFLO C[N@@H+]1CCc2nc(C(=O)N[C@H]3CN(C(=O)CO)CC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000029128943 562001438 /nfs/dbraw/zinc/00/14/38/562001438.db2.gz VHBPSKASYKLQAU-LPHOPBHVSA-N 1 2 531.038 1.387 1 0 KDAFLO C[NH+]1CCc2nc(C(=O)N[C@@H]3C[N@@H+](CC(=O)[O-])CC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000029129024 562001606 /nfs/dbraw/zinc/00/16/06/562001606.db2.gz LFXQRYKGJNLMED-QFBILLFUSA-N 1 2 531.038 1.953 1 0 KDAFLO C[NH+]1CCc2nc(C(=O)N[C@@H]3C[N@H+](CC(=O)[O-])CC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000029129024 562001604 /nfs/dbraw/zinc/00/16/04/562001604.db2.gz LFXQRYKGJNLMED-QFBILLFUSA-N 1 2 531.038 1.953 1 0 KDAFLO C[N@H+]1CCc2nc(C(=O)N[C@@H]3C[NH+](CC(=O)[O-])CC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000029129024 562001602 /nfs/dbraw/zinc/00/16/02/562001602.db2.gz LFXQRYKGJNLMED-QFBILLFUSA-N 1 2 531.038 1.953 1 0 KDAFLO C[N@@H+]1CCc2nc(C(=O)N[C@@H]3C[NH+](CC(=O)[O-])CC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000029129024 562001600 /nfs/dbraw/zinc/00/16/00/562001600.db2.gz LFXQRYKGJNLMED-QFBILLFUSA-N 1 2 531.038 1.953 1 0 KDAFLO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000029318275 562012814 /nfs/dbraw/zinc/01/28/14/562012814.db2.gz JHNLCQILABXXEA-XWGVYQGASA-N 1 2 500.559 1.526 1 0 KDAFLO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000029318275 562012812 /nfs/dbraw/zinc/01/28/12/562012812.db2.gz JHNLCQILABXXEA-XWGVYQGASA-N 1 2 500.559 1.526 1 0 KDAFLO CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)NS1(=O)=O ZINC000029339110 562014801 /nfs/dbraw/zinc/01/48/01/562014801.db2.gz XVQJMBOSZQBZAX-MYHRABSESA-N 1 2 689.880 1.928 1 0 KDAFLO CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)NS1(=O)=O ZINC000029339110 562014800 /nfs/dbraw/zinc/01/48/00/562014800.db2.gz XVQJMBOSZQBZAX-MYHRABSESA-N 1 2 689.880 1.928 1 0 KDAFLO NS(=O)(=O)c1cc(S(=O)(=O)N2CC[NH+](C[C@@H](O)COc3cccc4ccccc43)CC2)ccc1Cl ZINC000029339390 562014874 /nfs/dbraw/zinc/01/48/74/562014874.db2.gz SXMSALYPOQBNIT-GOSISDBHSA-N 1 2 540.063 1.887 1 0 KDAFLO NS(=O)(=O)c1cc(S(=O)(=O)N2CC[NH+](C[C@H](O)COc3cccc4ccccc43)CC2)ccc1Cl ZINC000029339394 562014912 /nfs/dbraw/zinc/01/49/12/562014912.db2.gz SXMSALYPOQBNIT-SFHVURJKSA-N 1 2 540.063 1.887 1 0 KDAFLO CC[C@]1(O)c2cc3n(c(=O)c2COC1=O)Cc1cc2c(nc1-3)c(C[NH+]1CCOCC1)cc1c2NCCO1 ZINC000029345153 562016060 /nfs/dbraw/zinc/01/60/60/562016060.db2.gz QYQBKIKJQYVGFI-MHZLTWQESA-N 1 2 504.543 1.716 1 0 KDAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CNC=O ZINC000029346922 562016313 /nfs/dbraw/zinc/01/63/13/562016313.db2.gz SRXTZSLIJDIGDB-OBBCHVIHSA-N 1 2 628.771 1.496 1 0 KDAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CNC=O ZINC000029346922 562016311 /nfs/dbraw/zinc/01/63/11/562016311.db2.gz SRXTZSLIJDIGDB-OBBCHVIHSA-N 1 2 628.771 1.496 1 0 KDAFLO NS(=O)(=O)c1cc(C(=O)N2CC[NH+](C[C@@H](O)COc3cccc4c3SCC(=O)N4)CC2)ccc1Cl ZINC000029347018 562016399 /nfs/dbraw/zinc/01/63/99/562016399.db2.gz JKHKCEJCKANYSV-OAHLLOKOSA-N 1 2 541.051 1.229 1 0 KDAFLO NS(=O)(=O)c1cc(C(=O)N2CC[NH+](C[C@H](O)COc3cccc4c3SCC(=O)N4)CC2)ccc1Cl ZINC000029347022 562016358 /nfs/dbraw/zinc/01/63/58/562016358.db2.gz JKHKCEJCKANYSV-HNNXBMFYSA-N 1 2 541.051 1.229 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000029405947 562020656 /nfs/dbraw/zinc/02/06/56/562020656.db2.gz XUBZJKQOLJQSQT-WAOXOFBASA-N 1 2 679.775 1.119 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000029405947 562020654 /nfs/dbraw/zinc/02/06/54/562020654.db2.gz XUBZJKQOLJQSQT-WAOXOFBASA-N 1 2 679.775 1.119 1 0 KDAFLO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC(=O)NCC[NH+]3CCOCC3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029409209 562021314 /nfs/dbraw/zinc/02/13/14/562021314.db2.gz QDOMYCPZQTWGPC-DPCYWBTJSA-N 1 2 554.596 1.995 1 0 KDAFLO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC(=O)NCC[NH+]3CCOCC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029409214 562021349 /nfs/dbraw/zinc/02/13/49/562021349.db2.gz QDOMYCPZQTWGPC-VVPROGHOSA-N 1 2 554.596 1.995 1 0 KDAFLO Nc1cc(CCNC(=O)CN2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2=O)cc[nH+]1 ZINC000029413021 562022323 /nfs/dbraw/zinc/02/23/23/562022323.db2.gz LDRITHUEJKBDDB-UHFFFAOYSA-N 1 2 508.025 1.724 1 0 KDAFLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CN1CCN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1=O ZINC000029415855 562022869 /nfs/dbraw/zinc/02/28/69/562022869.db2.gz ANSKJRGBKVMOGK-MRXNPFEDSA-N 1 2 540.023 1.011 1 0 KDAFLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CN1CCN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1=O ZINC000029415855 562022867 /nfs/dbraw/zinc/02/28/67/562022867.db2.gz ANSKJRGBKVMOGK-MRXNPFEDSA-N 1 2 540.023 1.011 1 0 KDAFLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN1CCN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1=O ZINC000029468485 562024953 /nfs/dbraw/zinc/02/49/53/562024953.db2.gz ANSKJRGBKVMOGK-INIZCTEOSA-N 1 2 540.023 1.011 1 0 KDAFLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN1CCN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1=O ZINC000029468485 562024952 /nfs/dbraw/zinc/02/49/52/562024952.db2.gz ANSKJRGBKVMOGK-INIZCTEOSA-N 1 2 540.023 1.011 1 0 KDAFLO CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)COc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029473455 562025947 /nfs/dbraw/zinc/02/59/47/562025947.db2.gz QULCTOUFTAWQPK-XDIGFQIYSA-N 1 2 705.857 1.542 1 0 KDAFLO CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)COc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029473455 562025945 /nfs/dbraw/zinc/02/59/45/562025945.db2.gz QULCTOUFTAWQPK-XDIGFQIYSA-N 1 2 705.857 1.542 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(C)(C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C)C(=O)NCc1ccccc1 ZINC000029473583 562025928 /nfs/dbraw/zinc/02/59/28/562025928.db2.gz KXQHCTQZVOQLIV-MRYCCUBWSA-N 1 2 680.851 1.332 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(C)(C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C)C(=O)NCc1ccccc1 ZINC000029473583 562025926 /nfs/dbraw/zinc/02/59/26/562025926.db2.gz KXQHCTQZVOQLIV-MRYCCUBWSA-N 1 2 680.851 1.332 1 0 KDAFLO CCc1c2nc(-c3cc(S(=O)(=O)N4CC[NH+](CC)CC4)cnc3O[C@H](C)COC)[nH]c(=O)c2nn1C ZINC000033991538 562037972 /nfs/dbraw/zinc/03/79/72/562037972.db2.gz WKISNFXGTYNPOO-OAHLLOKOSA-N 1 2 519.628 1.433 1 0 KDAFLO CCc1c2nc(-c3cc(S(=O)(=O)N4CC[NH+](C)CC4)cnc3OCCOC)[nH]c(=O)c2nn1CC(C)C ZINC000033991863 562037979 /nfs/dbraw/zinc/03/79/79/562037979.db2.gz KPSBFMNMIOHYPY-UHFFFAOYSA-N 1 2 533.655 1.774 1 0 KDAFLO CC[NH+]1CCN(S(=O)(=O)c2cnc(OCCOC)c(-c3nc4c(nn5c4[C@H](C)CCC5)c(=O)[nH]3)c2)CC1 ZINC000034261437 562038529 /nfs/dbraw/zinc/03/85/29/562038529.db2.gz YZIHTESSIPQRSR-MRXNPFEDSA-N 1 2 531.639 1.843 1 0 KDAFLO CC[NH+]1CCN(S(=O)(=O)c2cnc(OCCOC)c(-c3nc4c(nn5c4[C@@H](C)CCC5)c(=O)[nH]3)c2)CC1 ZINC000034261438 562038540 /nfs/dbraw/zinc/03/85/40/562038540.db2.gz YZIHTESSIPQRSR-INIZCTEOSA-N 1 2 531.639 1.843 1 0 KDAFLO CCC1(O)c2cc3n(c(=O)c2COC1=O)Cc1c-3nc2cccc3[nH]c(=O)n(CC[NH+]4CCOCC4)c1c23 ZINC000034272834 562038567 /nfs/dbraw/zinc/03/85/67/562038567.db2.gz LLTSHSPVDQJILH-MHZLTWQESA-N 1 2 517.542 1.467 1 0 KDAFLO CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)oc1c3ncnc1N(CCO)CC[NH+]1CCOCC1 ZINC000034986643 562044162 /nfs/dbraw/zinc/04/41/62/562044162.db2.gz ZARYAJCIFUJCDR-UHFFFAOYSA-N 1 2 512.611 1.590 1 0 KDAFLO COc1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCC[N@@H+](C)C1 ZINC000035075513 562044751 /nfs/dbraw/zinc/04/47/51/562044751.db2.gz PGDYOGMNQCUWMZ-UHFFFAOYSA-N 1 2 531.657 1.641 1 0 KDAFLO COc1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCC[N@H+](C)C1 ZINC000035075513 562044750 /nfs/dbraw/zinc/04/47/50/562044750.db2.gz PGDYOGMNQCUWMZ-UHFFFAOYSA-N 1 2 531.657 1.641 1 0 KDAFLO CCOC(=O)CN1CCN(c2ccnc(-n3cc[nH+]c3)n2)[C@H](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000035270698 562044989 /nfs/dbraw/zinc/04/49/89/562044989.db2.gz HDVFZTUOHYYUBQ-LJQANCHMSA-N 1 2 507.551 1.151 1 0 KDAFLO 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/nfs/dbraw/zinc/09/96/02/581099602.db2.gz RZMOWKJDMKEJNI-CPLCVFOXSA-N 1 2 579.698 1.992 1 0 KDAFLO COC(=O)[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CC(=O)N(C)C)Cc1cccc2ccccc21 ZINC000036188350 581099705 /nfs/dbraw/zinc/09/97/05/581099705.db2.gz RZMOWKJDMKEJNI-HSWHJCFASA-N 1 2 579.698 1.992 1 0 KDAFLO COC(=O)[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CC(=O)N(C)C)Cc1cccc2ccccc21 ZINC000036188350 581099704 /nfs/dbraw/zinc/09/97/04/581099704.db2.gz RZMOWKJDMKEJNI-HSWHJCFASA-N 1 2 579.698 1.992 1 0 KDAFLO COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CC(=O)N(C)C)Cc1cccc2ccccc21 ZINC000036188352 562050950 /nfs/dbraw/zinc/05/09/50/562050950.db2.gz RZMOWKJDMKEJNI-JTAYKCCVSA-N 1 2 579.698 1.992 1 0 KDAFLO COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CC(=O)N(C)C)Cc1cccc2ccccc21 ZINC000036188352 562050949 /nfs/dbraw/zinc/05/09/49/562050949.db2.gz RZMOWKJDMKEJNI-JTAYKCCVSA-N 1 2 579.698 1.992 1 0 KDAFLO COC(=O)[C@H](O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CC(=O)N(C)C)Cc1cccc2ccccc21 ZINC000036188355 581099681 /nfs/dbraw/zinc/09/96/81/581099681.db2.gz RZMOWKJDMKEJNI-MOXRBOSHSA-N 1 2 579.698 1.992 1 0 KDAFLO COC(=O)[C@H](O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CC(=O)N(C)C)Cc1cccc2ccccc21 ZINC000036188355 581099680 /nfs/dbraw/zinc/09/96/80/581099680.db2.gz RZMOWKJDMKEJNI-MOXRBOSHSA-N 1 2 579.698 1.992 1 0 KDAFLO COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21 ZINC000036188361 562050942 /nfs/dbraw/zinc/05/09/42/562050942.db2.gz HZGNFWNTVQBRHK-SLWBVKHKSA-N 1 2 621.735 1.763 1 0 KDAFLO COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21 ZINC000036188361 562050941 /nfs/dbraw/zinc/05/09/41/562050941.db2.gz HZGNFWNTVQBRHK-SLWBVKHKSA-N 1 2 621.735 1.763 1 0 KDAFLO CC(C)[C@H](NC(=O)Cn1c(-c2ccccc2)cc2c(=O)n(CC[NH+]3CCOCC3)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F ZINC000036241825 562052016 /nfs/dbraw/zinc/05/20/16/562052016.db2.gz UBYXQHGKGLHIOW-NRFANRHFSA-N 1 2 577.560 1.123 1 0 KDAFLO CC(C)[C@@H](NC(=O)Cn1c(-c2ccccc2)cc2c(=O)n(CC[NH+]3CCOCC3)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F ZINC000036241827 562052123 /nfs/dbraw/zinc/05/21/23/562052123.db2.gz UBYXQHGKGLHIOW-OAQYLSRUSA-N 1 2 577.560 1.123 1 0 KDAFLO COc1cc([C@@H]2c3cc4c(cc3[C@@H](NS(=O)(=O)N3CC[NH+](C)CC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000038152891 562067495 /nfs/dbraw/zinc/06/74/95/562067495.db2.gz OURJKQUEPNEBLX-QQJYNPJZSA-N 1 2 561.613 1.196 1 0 KDAFLO CC[NH+]1CCN(S(=O)(=O)c2cnc(OCCOC)c(-c3nc4c(nn5c4CCCC5)c(=O)[nH]3)c2)CC1 ZINC000038407446 562071851 /nfs/dbraw/zinc/07/18/51/562071851.db2.gz CVFPIXKMEFAIKC-UHFFFAOYSA-N 1 2 517.612 1.282 1 0 KDAFLO CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cccc3ncn(CC[NH+]4CCOCC4)c2c31 ZINC000038461899 562071974 /nfs/dbraw/zinc/07/19/74/562071974.db2.gz NBSQFILFRPVMAY-MHZLTWQESA-N 1 2 501.543 1.762 1 0 KDAFLO CCCc1c2nc(-c3cc(S(=O)(=O)N4CC[NH+](CC)CC4)cnc3OCCOC)[nH]c(=O)c2nn1C ZINC000040379562 562073300 /nfs/dbraw/zinc/07/33/00/562073300.db2.gz MJBBDFVRKZHPMI-UHFFFAOYSA-N 1 2 519.628 1.023 1 0 KDAFLO CCCCN1C(=O)c2nc(-c3cc(S(=O)(=O)N4CC[NH+](C)CC4)ccc3OCC)[nH]c(=O)c2C1=O ZINC000040379767 562073257 /nfs/dbraw/zinc/07/32/57/562073257.db2.gz LCNREWJNSBNOQB-UHFFFAOYSA-N 1 2 503.581 1.580 1 0 KDAFLO Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](CCOCCO)CC2)cc1 ZINC000040406049 562074993 /nfs/dbraw/zinc/07/49/93/562074993.db2.gz YWYNPSIHTXPOBL-UHFFFAOYSA-N 1 2 505.519 1.006 1 0 KDAFLO COc1cc2[nH+]c(N3CCCN(C(=O)N4C[C@@H](O)[C@H](O)C4)CC3)nc(Nc3ccccn3)c2cc1OC ZINC000040789716 562079646 /nfs/dbraw/zinc/07/96/46/562079646.db2.gz XZARZPFYWWFYGA-RTBURBONSA-N 1 2 509.567 1.455 1 0 KDAFLO CCCCN1C(=O)[C@H]2CNC(c3cc(S(=O)(=O)N4CC[NH+](CC)CC4)ccc3OCC)=NN2C1=O ZINC000040847601 562080485 /nfs/dbraw/zinc/08/04/85/562080485.db2.gz OZPQPIJUQRFTKZ-LJQANCHMSA-N 1 2 506.629 1.109 1 0 KDAFLO CCc1c2nc(-c3cc(S(=O)(=O)N4CC[NH+](CC)CC4)cnc3O[C@@H](C)COC)[nH]c(=O)c2nn1C ZINC000040847766 562080407 /nfs/dbraw/zinc/08/04/07/562080407.db2.gz WKISNFXGTYNPOO-HNNXBMFYSA-N 1 2 519.628 1.433 1 0 KDAFLO CCC[NH+]1CCN(S(=O)(=O)c2cnc(O[C@@H](C)COC)c(-c3nc4c(CC)n(C)nc4c(=O)[nH]3)c2)CC1 ZINC000040847985 562080473 /nfs/dbraw/zinc/08/04/73/562080473.db2.gz OXYHJDREXPHWMX-INIZCTEOSA-N 1 2 533.655 1.823 1 0 KDAFLO CCC[NH+]1CCN(S(=O)(=O)c2cnc(O[C@H](C)COC)c(-c3nc4c(CC)n(C)nc4c(=O)[nH]3)c2)CC1 ZINC000040864850 562081166 /nfs/dbraw/zinc/08/11/66/562081166.db2.gz OXYHJDREXPHWMX-MRXNPFEDSA-N 1 2 533.655 1.823 1 0 KDAFLO CCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CC[NH+](Cc5ccc(C)cc5)CC4)cc3)nc2c1=O ZINC000040938865 562085679 /nfs/dbraw/zinc/08/56/79/562085679.db2.gz BGRKVIAGBNUFJB-UHFFFAOYSA-N 1 2 508.604 1.915 1 0 KDAFLO COc1ccc(-c2cc(SC)nc([N-]c3nc(N4CC[NH+](C)CC4)nc(N4CC[NH+](C)CC4)n3)n2)cc1OC ZINC000043121787 562646179 /nfs/dbraw/zinc/64/61/79/562646179.db2.gz AAGHAGCQUPTUAT-UHFFFAOYSA-N 1 2 552.709 2.315 1 0 KDAFLO CCc1c2nc(-c3cc(S(=O)(=O)N4CC[NH+](CC)CC4)cnc3O[C@@H](C)COC)[nH]c(=O)c2nn1CCOC ZINC000044362037 562655795 /nfs/dbraw/zinc/65/57/95/562655795.db2.gz ZAFPETYWHMLHGN-KRWDZBQOSA-N 1 2 563.681 1.543 1 0 KDAFLO CS(=O)(=O)N1CC[NH+](Cc2cc3nc(-c4cccc(CO)c4)nc(N4CCOCC4)c3s2)CC1 ZINC000044460362 562657993 /nfs/dbraw/zinc/65/79/93/562657993.db2.gz UTNWCQOGZIRULH-UHFFFAOYSA-N 1 2 503.650 1.764 1 0 in-vitro KDAFLO CC(C)(C)NC(=O)[C@@H]1CSCN1C[C@@H](O)CNC(=O)[C@@H]1[NH2+][C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000049733756 562673347 /nfs/dbraw/zinc/67/33/47/562673347.db2.gz LGOIPFJTVRLGQS-UWSZERFLSA-N 1 2 684.929 1.607 1 0 KDAFLO CC(C)(C)NC(=O)[C@@H]1CSCN1C[C@H](O)CNC(=O)[C@@H]1[NH2+][C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000049733759 562673362 /nfs/dbraw/zinc/67/33/62/562673362.db2.gz LGOIPFJTVRLGQS-MKHSYKJOSA-N 1 2 684.929 1.607 1 0 KDAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C2=NS(=O)(=O)c3cc(Cl)ccc3N2)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000049756577 562675133 /nfs/dbraw/zinc/67/51/33/562675133.db2.gz BPFHOVIJMQSTBH-DHSIGJKJSA-N 1 2 608.146 1.469 1 0 KDAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C2=NS(=O)(=O)c3cc(Cl)ccc3N2)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000049756577 562675132 /nfs/dbraw/zinc/67/51/32/562675132.db2.gz BPFHOVIJMQSTBH-DHSIGJKJSA-N 1 2 608.146 1.469 1 0 KDAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2nc3ccc(Cl)cc3c(=O)[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000049756660 562675193 /nfs/dbraw/zinc/67/51/93/562675193.db2.gz JXTLYYJGXOUZGB-SOVGHPHASA-N 1 2 572.091 1.806 1 0 KDAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2nc3ccc(Cl)cc3c(=O)[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000049756660 562675192 /nfs/dbraw/zinc/67/51/92/562675192.db2.gz JXTLYYJGXOUZGB-SOVGHPHASA-N 1 2 572.091 1.806 1 0 KDAFLO CCC(=O)N[C@H]1C[C@@H](n2cnc3c2nc(NCCc2cn(CC)c[nH+]2)nc3NC(CC)CC)[C@H](O)[C@@H]1O ZINC000049756783 562675216 /nfs/dbraw/zinc/67/52/16/562675216.db2.gz BHLNXDOZTJNVFB-KKXYHZGYSA-N 1 2 513.647 1.859 1 0 KDAFLO O=C(CNC(=O)c1coc(-c2ccccc2)n1)NCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(F)cc1F ZINC000049774655 562678722 /nfs/dbraw/zinc/67/87/22/562678722.db2.gz ZBIRHLBAHKTGJG-FQEVSTJZSA-N 1 2 551.510 1.555 1 0 KDAFLO O=C(CNC(=O)c1coc(-c2ccccc2)n1)NCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(F)cc1F ZINC000049774655 562678721 /nfs/dbraw/zinc/67/87/21/562678721.db2.gz ZBIRHLBAHKTGJG-FQEVSTJZSA-N 1 2 551.510 1.555 1 0 KDAFLO COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1 ZINC000049775375 562679041 /nfs/dbraw/zinc/67/90/41/562679041.db2.gz XXDLDLBUSAJRMX-GOTSBHOMSA-N 1 2 537.573 1.360 1 0 KDAFLO COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1 ZINC000049775375 562679040 /nfs/dbraw/zinc/67/90/40/562679040.db2.gz XXDLDLBUSAJRMX-GOTSBHOMSA-N 1 2 537.573 1.360 1 0 KDAFLO C[C@H](NC(=O)c1coc(-c2ccccc2)n1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(F)cc1F ZINC000049775441 562679056 /nfs/dbraw/zinc/67/90/56/562679056.db2.gz PYDGEALZOPZHOE-BTYIYWSLSA-N 1 2 565.537 1.944 1 0 KDAFLO C[C@H](NC(=O)c1coc(-c2ccccc2)n1)C(=O)NCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(F)cc1F ZINC000049775441 562679055 /nfs/dbraw/zinc/67/90/55/562679055.db2.gz PYDGEALZOPZHOE-BTYIYWSLSA-N 1 2 565.537 1.944 1 0 KDAFLO CN(CCc1ccccn1)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1 ZINC000049777409 562680016 /nfs/dbraw/zinc/68/00/16/562680016.db2.gz XUDSQOJIWDCFGQ-VMPREFPWSA-N 1 2 627.702 1.893 1 0 KDAFLO CN(CCc1ccccn1)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1 ZINC000049777409 562680015 /nfs/dbraw/zinc/68/00/15/562680015.db2.gz XUDSQOJIWDCFGQ-VMPREFPWSA-N 1 2 627.702 1.893 1 0 KDAFLO COC[C@H]1CCCN1C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(C)(=O)=O)CC[NH2+]2)c1 ZINC000049777632 562680324 /nfs/dbraw/zinc/68/03/24/562680324.db2.gz IMGGISDXENNSOV-RAVGUYNFSA-N 1 2 608.708 1.460 1 0 KDAFLO O=C(CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1nccs1 ZINC000049780373 562681686 /nfs/dbraw/zinc/68/16/86/562681686.db2.gz PXIHIANWJVHYRF-GOTSBHOMSA-N 1 2 591.650 1.892 1 0 KDAFLO O=C(CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1nccs1 ZINC000049780373 562681685 /nfs/dbraw/zinc/68/16/85/562681685.db2.gz PXIHIANWJVHYRF-GOTSBHOMSA-N 1 2 591.650 1.892 1 0 KDAFLO CCCCN1C[C@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3cccc(C)c3)CC[NH2+]2)CC1=O ZINC000049793786 562685191 /nfs/dbraw/zinc/68/51/91/562685191.db2.gz HPDGUUSJXUKDGG-DQFIBICCSA-N 1 2 592.709 1.973 1 0 KDAFLO CCCCN1C[C@@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3cccc(C)c3)CC[NH2+]2)CC1=O ZINC000049793787 562685175 /nfs/dbraw/zinc/68/51/75/562685175.db2.gz HPDGUUSJXUKDGG-HMZPFFFMSA-N 1 2 592.709 1.973 1 0 KDAFLO COC[C@H]1CCCN1C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3cn(C)cn3)CC[NH2+]2)c1 ZINC000049802597 562685809 /nfs/dbraw/zinc/68/58/09/562685809.db2.gz SSZWMOZAGUFOJM-UONLKORASA-N 1 2 674.771 1.622 1 0 KDAFLO COC[C@H]1CCCN1C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)C3CC3)CC[NH2+]2)c1 ZINC000049803209 562686075 /nfs/dbraw/zinc/68/60/75/562686075.db2.gz AMLMNJLUYMKORW-MXYFDVTLSA-N 1 2 634.746 1.992 1 0 KDAFLO Cn1c2ccccc2c2nnc(Sc3nc(NCCN4CCOCC4)nc(NCC[NH+]4CCOCC4)n3)nc21 ZINC000049820416 562686935 /nfs/dbraw/zinc/68/69/35/562686935.db2.gz FAPPHUHFQCUQNX-UHFFFAOYSA-N 1 2 551.681 1.341 1 0 KDAFLO O=C(N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1[NH2+]CCN(Cc2ccccc2)C1=O)[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000049878062 562690418 /nfs/dbraw/zinc/69/04/18/562690418.db2.gz YQIIMRFZVGRICH-PSAFMIEJSA-N 1 2 540.611 1.612 1 0 KDAFLO O=C(N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1[NH2+]CCN(Cc2ccccc2)C1=O)[C@H]1CC(=O)N(CC2CC2)C1 ZINC000049878064 562690416 /nfs/dbraw/zinc/69/04/16/562690416.db2.gz YQIIMRFZVGRICH-OIMINJBOSA-N 1 2 540.611 1.612 1 0 KDAFLO CCCN1C[C@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2[NH2+]CCN(Cc3ccccc3)C2=O)N(CC)C1=O ZINC000049878083 562690437 /nfs/dbraw/zinc/69/04/37/562690437.db2.gz WAJCBEINSSNAMN-QYOOZWMWSA-N 1 2 557.642 1.890 1 0 KDAFLO CCCN1C[C@@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2[NH2+]CCN(Cc3ccccc3)C2=O)N(CC)C1=O ZINC000049878085 562690425 /nfs/dbraw/zinc/69/04/25/562690425.db2.gz WAJCBEINSSNAMN-CQJMVLFOSA-N 1 2 557.642 1.890 1 0 KDAFLO CCCN1C[C@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2[NH2+]CCN(Cc3ccccc3)C2=O)CC1=O ZINC000049878176 562690476 /nfs/dbraw/zinc/69/04/76/562690476.db2.gz JCCWMUSWEZOVDK-UFOFSCLASA-N 1 2 528.600 1.612 1 0 KDAFLO CCCN1C[C@@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2[NH2+]CCN(Cc3ccccc3)C2=O)CC1=O ZINC000049878178 562690472 /nfs/dbraw/zinc/69/04/72/562690472.db2.gz JCCWMUSWEZOVDK-FUTPGTCUSA-N 1 2 528.600 1.612 1 0 KDAFLO COC(=O)CN1C(=O)N(C[C@H](O)C[NH+]2CCN(C(=O)c3ccco3)CC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000049888843 562691521 /nfs/dbraw/zinc/69/15/21/562691521.db2.gz HYSIJIDETDCHMW-XMMPIXPASA-N 1 2 560.607 1.779 1 0 KDAFLO COC(=O)CN1C(=O)N(C[C@@H](O)C[NH+]2CCN(C(=O)c3ccco3)CC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000049888844 562691516 /nfs/dbraw/zinc/69/15/16/562691516.db2.gz HYSIJIDETDCHMW-DEOSSOPVSA-N 1 2 560.607 1.779 1 0 KDAFLO CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]C2CCN(c3ccc(C[C@H]4SC(=O)NC4=O)cc3)CC2)ccc1O ZINC000049925455 562694724 /nfs/dbraw/zinc/69/47/24/562694724.db2.gz LYCJVGDAEAJXKC-FCHUYYIVSA-N 1 2 534.660 1.950 1 0 KDAFLO CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]C2CCN(c3ccc(C[C@@H]4SC(=O)NC4=O)cc3)CC2)ccc1O ZINC000049925456 562694733 /nfs/dbraw/zinc/69/47/33/562694733.db2.gz LYCJVGDAEAJXKC-VXKWHMMOSA-N 1 2 534.660 1.950 1 0 KDAFLO CCOC(=O)CN1CCN(c2ccnc(-n3cc[nH+]c3)n2)[C@@H](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000058491856 562698160 /nfs/dbraw/zinc/69/81/60/562698160.db2.gz HDVFZTUOHYYUBQ-IBGZPJMESA-N 1 2 507.551 1.151 1 0 KDAFLO C[N@H+]1CCc2nc(C(=O)N[C@@H]3CCN(S(C)(=O)=O)C[C@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000058491995 562698150 /nfs/dbraw/zinc/69/81/50/562698150.db2.gz GTRHBKNWTACPMR-VQIMIIECSA-N 1 2 551.094 1.828 1 0 KDAFLO C[N@@H+]1CCc2nc(C(=O)N[C@@H]3CCN(S(C)(=O)=O)C[C@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000058491995 562698149 /nfs/dbraw/zinc/69/81/49/562698149.db2.gz GTRHBKNWTACPMR-VQIMIIECSA-N 1 2 551.094 1.828 1 0 KDAFLO O=C(C[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1c1ccnc(-n2cc[nH+]c2)n1)NCc1ccc2c(c1)OCO2 ZINC000058566236 562699445 /nfs/dbraw/zinc/69/94/45/562699445.db2.gz UXEWUEZKRXQCGG-NRFANRHFSA-N 1 2 561.624 1.977 1 0 KDAFLO CC[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 ZINC000058596542 562700756 /nfs/dbraw/zinc/70/07/56/562700756.db2.gz UXMAYVMTBZDBGV-MZBLVXSRSA-N 1 2 662.854 1.192 1 0 KDAFLO CC[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 ZINC000058596542 562700755 /nfs/dbraw/zinc/70/07/55/562700755.db2.gz UXMAYVMTBZDBGV-MZBLVXSRSA-N 1 2 662.854 1.192 1 0 KDAFLO C[N@H+]1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)C[C@H]3C(N)=O)sc2C1 ZINC000058682856 562701564 /nfs/dbraw/zinc/70/15/64/562701564.db2.gz OVHHNKPYYVQCLN-IBGZPJMESA-N 1 2 534.063 1.938 1 0 KDAFLO C[N@@H+]1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)C[C@H]3C(N)=O)sc2C1 ZINC000058682856 562701563 /nfs/dbraw/zinc/70/15/63/562701563.db2.gz OVHHNKPYYVQCLN-IBGZPJMESA-N 1 2 534.063 1.938 1 0 KDAFLO C[N@H+]1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)C[C@H]3C(=O)NCC(N)=O)sc2C1 ZINC000058683123 562701535 /nfs/dbraw/zinc/70/15/35/562701535.db2.gz HUPJLHISIYNDCX-FQEVSTJZSA-N 1 2 591.115 1.054 1 0 KDAFLO C[N@@H+]1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)C[C@H]3C(=O)NCC(N)=O)sc2C1 ZINC000058683123 562701534 /nfs/dbraw/zinc/70/15/34/562701534.db2.gz HUPJLHISIYNDCX-FQEVSTJZSA-N 1 2 591.115 1.054 1 0 KDAFLO O=C(NCC[NH+]1CCOCC1)c1cc(-c2ncc(F)c3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c32)n[nH]1 ZINC000059425131 562702061 /nfs/dbraw/zinc/70/20/61/562702061.db2.gz JKSRQPGZNDYFNW-UHFFFAOYSA-N 1 2 602.627 1.321 1 0 KDAFLO C[NH+](C)CC(=O)OCCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000066260259 562715450 /nfs/dbraw/zinc/71/54/50/562715450.db2.gz ZENHRDGEMSPDTI-SKPFHBQLSA-N 1 2 527.732 1.780 1 0 KDAFLO C[NH+](C)CC(=O)OCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000066262091 562715504 /nfs/dbraw/zinc/71/55/04/562715504.db2.gz BLAHYTNPLYBDLQ-YDHSSHFGSA-N 1 2 513.705 1.390 1 0 KDAFLO COc1cc(O)c2c(c1Br)C(=O)OCC[NH2+]CC(=O)N[C@H](c1nc(C)no1)CSC2 ZINC000071281177 562716644 /nfs/dbraw/zinc/71/66/44/562716644.db2.gz XMAGZMLYRFHFQA-NSHDSACASA-N 1 2 501.359 1.705 1 0 KDAFLO COc1cc(O)c2c(c1Br)C(=O)OCC(=O)NCC(=O)N[C@H](c1nc(C[NH2+]C(C)C)no1)CSC2 ZINC000071281593 562716684 /nfs/dbraw/zinc/71/66/84/562716684.db2.gz MNXCRJYSFQIGLN-LBPRGKRZSA-N 1 2 572.438 1.422 1 0 KDAFLO CCOCCN(C[C@@H](O)C[N@H+]1CCC[C@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)noc1C ZINC000071296478 562717538 /nfs/dbraw/zinc/71/75/38/562717538.db2.gz ILHDZJHLVBFCDE-CPJSRVTESA-N 1 2 537.635 1.885 1 0 KDAFLO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)noc1C ZINC000071296478 562717537 /nfs/dbraw/zinc/71/75/37/562717537.db2.gz ILHDZJHLVBFCDE-CPJSRVTESA-N 1 2 537.635 1.885 1 0 KDAFLO COCCN(C[C@H](O)C[N@H+]1CCC[C@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)noc1C ZINC000071316731 562718018 /nfs/dbraw/zinc/71/80/18/562718018.db2.gz PDAQYFOOWGQKFR-DVECYGJZSA-N 1 2 523.608 1.495 1 0 KDAFLO COCCN(C[C@H](O)C[N@@H+]1CCC[C@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)noc1C ZINC000071316731 562718017 /nfs/dbraw/zinc/71/80/17/562718017.db2.gz PDAQYFOOWGQKFR-DVECYGJZSA-N 1 2 523.608 1.495 1 0 KDAFLO COCCN(C[C@@H](O)C[N@H+]1CCC[C@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)noc1C ZINC000071316732 562718031 /nfs/dbraw/zinc/71/80/31/562718031.db2.gz PDAQYFOOWGQKFR-CYFREDJKSA-N 1 2 523.608 1.495 1 0 KDAFLO COCCN(C[C@@H](O)C[N@@H+]1CCC[C@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)noc1C ZINC000071316732 562718030 /nfs/dbraw/zinc/71/80/30/562718030.db2.gz PDAQYFOOWGQKFR-CYFREDJKSA-N 1 2 523.608 1.495 1 0 KDAFLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC1(C(=O)NCc2ccccc2)CCCC1 ZINC000072135072 562727493 /nfs/dbraw/zinc/72/74/93/562727493.db2.gz JNHLEUKVODYQRF-SVBPBHIXSA-N 1 2 678.835 1.231 1 0 KDAFLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC1(C(=O)NCc2ccccc2)CCCC1 ZINC000072135072 562727492 /nfs/dbraw/zinc/72/74/92/562727492.db2.gz JNHLEUKVODYQRF-SVBPBHIXSA-N 1 2 678.835 1.231 1 0 KDAFLO O=c1n(-c2ccccc2F)cnn1CCC[NH+]1CCN(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073139051 562733466 /nfs/dbraw/zinc/73/34/66/562733466.db2.gz SQKVKEXGAWQYML-AREMUKBSSA-N 1 2 542.566 1.639 1 0 KDAFLO O=c1n(-c2ccccc2F)cnn1CCCN1CC[NH+](C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073139051 562733465 /nfs/dbraw/zinc/73/34/65/562733465.db2.gz SQKVKEXGAWQYML-AREMUKBSSA-N 1 2 542.566 1.639 1 0 KDAFLO O=c1n(-c2ccccc2F)cnn1CCC[NH+]1CCN(C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073139052 562733448 /nfs/dbraw/zinc/73/34/48/562733448.db2.gz SQKVKEXGAWQYML-SANMLTNESA-N 1 2 542.566 1.639 1 0 KDAFLO O=c1n(-c2ccccc2F)cnn1CCCN1CC[NH+](C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073139052 562733447 /nfs/dbraw/zinc/73/34/47/562733447.db2.gz SQKVKEXGAWQYML-SANMLTNESA-N 1 2 542.566 1.639 1 0 KDAFLO Cc1ccc(-n2cnn(CCC[NH+]3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)cc1 ZINC000073139649 562733508 /nfs/dbraw/zinc/73/35/08/562733508.db2.gz AKLYWHVGRUOBQF-HHHXNRCGSA-N 1 2 538.603 1.808 1 0 KDAFLO Cc1ccc(-n2cnn(CCCN3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)cc1 ZINC000073139649 562733507 /nfs/dbraw/zinc/73/35/07/562733507.db2.gz AKLYWHVGRUOBQF-HHHXNRCGSA-N 1 2 538.603 1.808 1 0 KDAFLO Cc1ccc(-n2cnn(CCC[NH+]3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)cc1 ZINC000073139652 562733518 /nfs/dbraw/zinc/73/35/18/562733518.db2.gz AKLYWHVGRUOBQF-MHZLTWQESA-N 1 2 538.603 1.808 1 0 KDAFLO Cc1ccc(-n2cnn(CCCN3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)cc1 ZINC000073139652 562733517 /nfs/dbraw/zinc/73/35/17/562733517.db2.gz AKLYWHVGRUOBQF-MHZLTWQESA-N 1 2 538.603 1.808 1 0 KDAFLO Cc1cccc(-n2cnn(CCC[NH+]3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)c1 ZINC000073139654 562733534 /nfs/dbraw/zinc/73/35/34/562733534.db2.gz IUIHTHYIPAKZRU-HHHXNRCGSA-N 1 2 538.603 1.808 1 0 KDAFLO Cc1cccc(-n2cnn(CCCN3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)c1 ZINC000073139654 562733533 /nfs/dbraw/zinc/73/35/33/562733533.db2.gz IUIHTHYIPAKZRU-HHHXNRCGSA-N 1 2 538.603 1.808 1 0 KDAFLO Cc1cccc(-n2cnn(CCC[NH+]3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)c1 ZINC000073139659 562733523 /nfs/dbraw/zinc/73/35/23/562733523.db2.gz IUIHTHYIPAKZRU-MHZLTWQESA-N 1 2 538.603 1.808 1 0 KDAFLO Cc1cccc(-n2cnn(CCCN3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)c1 ZINC000073139659 562733522 /nfs/dbraw/zinc/73/35/22/562733522.db2.gz IUIHTHYIPAKZRU-MHZLTWQESA-N 1 2 538.603 1.808 1 0 KDAFLO O=c1n(-c2ccccc2)cnn1CCC[NH+]1CCN(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073139662 562733492 /nfs/dbraw/zinc/73/34/92/562733492.db2.gz NNNLIMCLBJFLIP-AREMUKBSSA-N 1 2 524.576 1.499 1 0 KDAFLO O=c1n(-c2ccccc2)cnn1CCCN1CC[NH+](C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073139662 562733491 /nfs/dbraw/zinc/73/34/91/562733491.db2.gz NNNLIMCLBJFLIP-AREMUKBSSA-N 1 2 524.576 1.499 1 0 KDAFLO O=c1n(-c2ccccc2)cnn1CCC[NH+]1CCN(C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073139666 562733511 /nfs/dbraw/zinc/73/35/11/562733511.db2.gz NNNLIMCLBJFLIP-SANMLTNESA-N 1 2 524.576 1.499 1 0 KDAFLO O=c1n(-c2ccccc2)cnn1CCCN1CC[NH+](C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073139666 562733510 /nfs/dbraw/zinc/73/35/10/562733510.db2.gz NNNLIMCLBJFLIP-SANMLTNESA-N 1 2 524.576 1.499 1 0 KDAFLO CCC[C@@H]1[NH2+]CCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CN(C)C1=O ZINC000073141798 562733779 /nfs/dbraw/zinc/73/37/79/562733779.db2.gz IHPKBGRMJNCAJW-BJKOFHAPSA-N 1 2 510.635 1.778 1 0 KDAFLO CCOc1ccc(-n2cnn(CCC[NH+]3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)cc1 ZINC000073164445 562734341 /nfs/dbraw/zinc/73/43/41/562734341.db2.gz KKBBNFJTJDFGSH-MUUNZHRXSA-N 1 2 568.629 1.898 1 0 KDAFLO CCOc1ccc(-n2cnn(CCCN3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)cc1 ZINC000073164445 562734340 /nfs/dbraw/zinc/73/43/40/562734340.db2.gz KKBBNFJTJDFGSH-MUUNZHRXSA-N 1 2 568.629 1.898 1 0 KDAFLO CCOc1ccc(-n2cnn(CCC[NH+]3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)cc1 ZINC000073164448 562734360 /nfs/dbraw/zinc/73/43/60/562734360.db2.gz KKBBNFJTJDFGSH-NDEPHWFRSA-N 1 2 568.629 1.898 1 0 KDAFLO CCOc1ccc(-n2cnn(CCCN3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)cc1 ZINC000073164448 562734359 /nfs/dbraw/zinc/73/43/59/562734359.db2.gz KKBBNFJTJDFGSH-NDEPHWFRSA-N 1 2 568.629 1.898 1 0 KDAFLO CC[C@H]1CN(c2nc(N)c(C(N)=O)nc2Cl)CCN1C1CC[NH+](Cc2ccc(Cl)cc2[C@H](O)C(N)=O)CC1 ZINC000073167332 562734588 /nfs/dbraw/zinc/73/45/88/562734588.db2.gz NODKMARWCGQTPH-JXFKEZNVSA-N 1 2 565.506 1.548 1 0 KDAFLO O=c1n(-c2ccc(F)cc2)cnn1CCC[NH+]1CCN(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073168714 562734752 /nfs/dbraw/zinc/73/47/52/562734752.db2.gz ZTGFLSKDWJGZNP-AREMUKBSSA-N 1 2 542.566 1.639 1 0 KDAFLO O=c1n(-c2ccc(F)cc2)cnn1CCCN1CC[NH+](C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073168714 562734751 /nfs/dbraw/zinc/73/47/51/562734751.db2.gz ZTGFLSKDWJGZNP-AREMUKBSSA-N 1 2 542.566 1.639 1 0 KDAFLO O=c1n(-c2ccc(F)cc2)cnn1CCC[NH+]1CCN(C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073168716 562734709 /nfs/dbraw/zinc/73/47/09/562734709.db2.gz ZTGFLSKDWJGZNP-SANMLTNESA-N 1 2 542.566 1.639 1 0 KDAFLO O=c1n(-c2ccc(F)cc2)cnn1CCCN1CC[NH+](C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073168716 562734708 /nfs/dbraw/zinc/73/47/08/562734708.db2.gz ZTGFLSKDWJGZNP-SANMLTNESA-N 1 2 542.566 1.639 1 0 KDAFLO Cc1c(C[NH+]2CCN(C(=O)C(C)(C)O)CC2)sc2c1nc(-c1cnc(N)nc1)nc2N1CCOCC1 ZINC000073196069 562735020 /nfs/dbraw/zinc/73/50/20/562735020.db2.gz LKRMPKDNVLEEJI-UHFFFAOYSA-N 1 2 512.640 1.291 1 0 KDAFLO CCCn1nc2c(nc(-c3cc(S(=O)(=O)N4CC[NH+](CC)CC4)cnc3OCCOC)[nH]c2=O)c1CC ZINC000073197192 562735285 /nfs/dbraw/zinc/73/52/85/562735285.db2.gz FWJACKDTNAEBQS-UHFFFAOYSA-N 1 2 533.655 1.918 1 0 KDAFLO CCc1c2nc(-c3cc(S(=O)(=O)N4CC[NH+](CC)CC4)cnc3OCCOC)[nH]c(=O)c2nn1CC1CC1 ZINC000073198422 562735684 /nfs/dbraw/zinc/73/56/84/562735684.db2.gz VMGRFTLVPVRCBR-UHFFFAOYSA-N 1 2 545.666 1.918 1 0 KDAFLO CCc1c2nc(-c3cc(S(=O)(=O)N4CC[NH+](CC)CC4)cnc3OCCOC)[nH]c(=O)c2nn1C1CCOCC1 ZINC000073198772 562735865 /nfs/dbraw/zinc/73/58/65/562735865.db2.gz SVYHBWQONSXJDS-UHFFFAOYSA-N 1 2 575.692 1.859 1 0 KDAFLO CCCn1nc2c(nc(-c3cc(S(=O)(=O)N4CC[NH+](C)CC4)cnc3OCCOC)[nH]c2=O)c1CC ZINC000073198773 562735859 /nfs/dbraw/zinc/73/58/59/562735859.db2.gz UKRJHUGUGVOKRF-UHFFFAOYSA-N 1 2 519.628 1.528 1 0 KDAFLO CSCC[C@H](NS(=O)(=O)NCc1cccc(Oc2ccccc2)c1)C(=O)NCC[NH+]1CCOCC1 ZINC000073294663 562737656 /nfs/dbraw/zinc/73/76/56/562737656.db2.gz FRIIHMSIDQJIQN-QHCPKHFHSA-N 1 2 522.693 1.973 1 0 KDAFLO CSCC[C@@H](NS(=O)(=O)NCc1cccc(Oc2ccccc2)c1)C(=O)NCC[NH+]1CCOCC1 ZINC000073294665 562737659 /nfs/dbraw/zinc/73/76/59/562737659.db2.gz FRIIHMSIDQJIQN-HSZRJFAPSA-N 1 2 522.693 1.973 1 0 KDAFLO CCc1c2nc(-c3cc(S(=O)(=O)N4CC[NH+](CC)CC4)cnc3OCCOC)[nH]c(=O)c2nn1CCOC ZINC000082149197 562739630 /nfs/dbraw/zinc/73/96/30/562739630.db2.gz VYFHWUGIGFPUHL-UHFFFAOYSA-N 1 2 549.654 1.154 1 0 KDAFLO O=C1NC(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CC[NH+](CCOCCOCCOCCOCc3cn(CCF)nn3)CC2)C(=O)N1 ZINC000082149493 562739706 /nfs/dbraw/zinc/73/97/06/562739706.db2.gz HSWKOBISGMUSTR-UHFFFAOYSA-N 1 2 683.738 1.485 1 0 KDAFLO CCCOc1ncc(S(=O)(=O)N2CC[NH+](CC)CC2)cc1-c1nc2c(CC)n(CCOC)nc2c(=O)[nH]1 ZINC000082149979 562739735 /nfs/dbraw/zinc/73/97/35/562739735.db2.gz RQYWQMXXGVLLGB-UHFFFAOYSA-N 1 2 533.655 1.918 1 0 KDAFLO CC(C)[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)Cc1cc(F)cc(F)c1 ZINC000082157639 562740951 /nfs/dbraw/zinc/74/09/51/562740951.db2.gz AWEJTSUFDDGKCE-FIXSFTCYSA-N 1 2 679.741 1.683 1 0 KDAFLO CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)NC(C)(C)CC1CCCCC1 ZINC000082157642 562740933 /nfs/dbraw/zinc/74/09/33/562740933.db2.gz CELDFOJHMBYDIN-ZJOUEHCJSA-N 1 2 609.744 1.209 1 0 KDAFLO COc1cccc(CC(C)(C)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CNC(=O)c2[nH]c(=O)[nH]c(=O)c2F)C(C)C)c1 ZINC000082164820 562741234 /nfs/dbraw/zinc/74/12/34/562741234.db2.gz JFGBXAWVIBFEEJ-LSQMVHIFSA-N 1 2 673.787 1.414 1 0 KDAFLO CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)NC(C)(C)Cc1ccc(Br)cc1 ZINC000082164846 562741303 /nfs/dbraw/zinc/74/13/03/562741303.db2.gz VEPAPHWAUALGBH-ZJOUEHCJSA-N 1 2 682.592 1.243 1 0 KDAFLO Cc1ccccc1CC(C)(C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C ZINC000082164905 562741285 /nfs/dbraw/zinc/74/12/85/562741285.db2.gz YPLATRHSKOSNOU-LSQMVHIFSA-N 1 2 657.788 1.714 1 0 KDAFLO COc1ccc(CC(C)(C)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CNC(=O)c2[nH]c(=O)[nH]c(=O)c2F)C(C)C)cc1 ZINC000082164960 562741371 /nfs/dbraw/zinc/74/13/71/562741371.db2.gz MEAHAMNTNBIFIS-LSQMVHIFSA-N 1 2 673.787 1.414 1 0 KDAFLO Cc1ccc(CC(C)(C)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CNC(=O)c2[nH]c(=O)[nH]c(=O)c2F)C(C)C)cc1 ZINC000082165051 562741334 /nfs/dbraw/zinc/74/13/34/562741334.db2.gz YFPRHPDKDJHSPN-LSQMVHIFSA-N 1 2 657.788 1.714 1 0 KDAFLO Cc1[nH+]c(NCCN2CCOCC2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1 ZINC000084634578 562745900 /nfs/dbraw/zinc/74/59/00/562745900.db2.gz ZWBPLCCEBHHRGG-JKMAKKBCSA-N 1 2 500.625 1.320 1 0 KDAFLO CN(C)C(=O)C[N@H+]1CC[C@@H](N2CC(=O)N3[C@H](Cc4c5ccccc5[nH]c4[C@H]3c3ccc4c(c3)OCO4)C2=O)C1 ZINC000084635148 562746075 /nfs/dbraw/zinc/74/60/75/562746075.db2.gz YXNPYAUCXUNXKM-OSKSLMEKSA-N 1 2 529.597 1.744 1 0 KDAFLO CN(C)C(=O)C[N@@H+]1CC[C@@H](N2CC(=O)N3[C@H](Cc4c5ccccc5[nH]c4[C@H]3c3ccc4c(c3)OCO4)C2=O)C1 ZINC000084635148 562746074 /nfs/dbraw/zinc/74/60/74/562746074.db2.gz YXNPYAUCXUNXKM-OSKSLMEKSA-N 1 2 529.597 1.744 1 0 KDAFLO CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3nc(NC(=O)NCC[NH+]4CCOCC4)nn3c2)c1 ZINC000084706415 562749993 /nfs/dbraw/zinc/74/99/93/562749993.db2.gz YYWXBLUOZOOXDF-UHFFFAOYSA-N 1 2 502.601 1.322 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C)C(N)=O ZINC000084740719 562752108 /nfs/dbraw/zinc/75/21/08/562752108.db2.gz AMNCUVOPDCWOMA-FKVQNEAASA-N 1 2 669.868 1.755 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C)C(N)=O ZINC000084740719 562752107 /nfs/dbraw/zinc/75/21/07/562752107.db2.gz AMNCUVOPDCWOMA-FKVQNEAASA-N 1 2 669.868 1.755 1 0 KDAFLO CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O ZINC000095536515 562753930 /nfs/dbraw/zinc/75/39/30/562753930.db2.gz KHZMWMBLYZHOQJ-KXQLWDMUSA-N 1 2 754.893 1.539 1 0 KDAFLO CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O ZINC000095536515 562753929 /nfs/dbraw/zinc/75/39/29/562753929.db2.gz KHZMWMBLYZHOQJ-KXQLWDMUSA-N 1 2 754.893 1.539 1 0 KDAFLO CC(C)[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@H](C)c1ccccc1 ZINC000095538132 562754485 /nfs/dbraw/zinc/75/44/85/562754485.db2.gz YTPPPCLKJALCED-SGEPHUTMSA-N 1 2 792.910 1.234 1 0 KDAFLO CC(C)[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](C)c1ccccc1 ZINC000095538194 562754557 /nfs/dbraw/zinc/75/45/57/562754557.db2.gz YTPPPCLKJALCED-MTWZPNGPSA-N 1 2 792.910 1.234 1 0 KDAFLO CC(C)[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC(C)(C)c1ccccc1 ZINC000095538195 562754551 /nfs/dbraw/zinc/75/45/51/562754551.db2.gz RUMRSFFWBQFKDM-ABRMRKKTSA-N 1 2 806.937 1.408 1 0 KDAFLO CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC1(c2ccccc2)CCCCC1 ZINC000095538343 562754678 /nfs/dbraw/zinc/75/46/78/562754678.db2.gz FGRGBNKEYKXTEC-ABRMRKKTSA-N 1 2 806.937 1.408 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N1Cc2[nH]c[nH+]c2C[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095538389 562754750 /nfs/dbraw/zinc/75/47/50/562754750.db2.gz PDPLYQGIOLHNRW-LEEJNGLHSA-N 1 2 786.931 1.413 1 0 KDAFLO CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CNC(=O)c1cc(O)ccc1O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(-c2nc(=S)o[nH]2)c1 ZINC000095538445 562754771 /nfs/dbraw/zinc/75/47/71/562754771.db2.gz CZVXRMPJUHIDKH-JONZOVCNSA-N 1 2 804.927 1.892 1 0 KDAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)c1nnnn1CCc1cc[n+]([O-])cc1 ZINC000095539586 562755171 /nfs/dbraw/zinc/75/51/71/562755171.db2.gz JSAGYYNASYITPZ-YRCZKMHPSA-N 1 2 808.963 1.726 1 0 KDAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)c1nnnn1CCc1cc[n+]([O-])cc1 ZINC000095539586 562755170 /nfs/dbraw/zinc/75/51/70/562755170.db2.gz JSAGYYNASYITPZ-YRCZKMHPSA-N 1 2 808.963 1.726 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1(C[NH3+])CCCC1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095540291 562755640 /nfs/dbraw/zinc/75/56/40/562755640.db2.gz UATCOVGKINYWTJ-LEOAUMQFSA-N 1 2 800.958 1.723 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1(C[NH3+])CCCC1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095540291 562755639 /nfs/dbraw/zinc/75/56/39/562755639.db2.gz UATCOVGKINYWTJ-LEOAUMQFSA-N 1 2 800.958 1.723 1 0 KDAFLO CN1CCN(C(=O)CS(=O)(=O)C[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC000095540560 562755817 /nfs/dbraw/zinc/75/58/17/562755817.db2.gz SJYFMYYDKCEPKC-YDPTYEFTSA-N 1 2 759.971 1.578 1 0 KDAFLO CN1CCN(C(=O)CS(=O)(=O)C[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC000095540560 562755816 /nfs/dbraw/zinc/75/58/16/562755816.db2.gz SJYFMYYDKCEPKC-YDPTYEFTSA-N 1 2 759.971 1.578 1 0 KDAFLO CC[C@H](C)[C@H](CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])C(C)C ZINC000095541693 562756270 /nfs/dbraw/zinc/75/62/70/562756270.db2.gz VKZZHWOYPFIRCS-NBLDUJLVSA-N 1 2 788.947 1.578 1 0 KDAFLO CC[C@H](C)[C@H](CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])C(C)C ZINC000095541693 562756269 /nfs/dbraw/zinc/75/62/69/562756269.db2.gz VKZZHWOYPFIRCS-NBLDUJLVSA-N 1 2 788.947 1.578 1 0 KDAFLO CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)N(C)CCOCOCCOC)OC1=O ZINC000095541800 562756359 /nfs/dbraw/zinc/75/63/59/562756359.db2.gz IWTUMTQOIIHVQC-PJRHAEEISA-N 1 2 773.929 1.992 1 0 KDAFLO CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)N(C)CCOCOCCOC)OC1=O ZINC000095541800 562756358 /nfs/dbraw/zinc/75/63/58/562756358.db2.gz IWTUMTQOIIHVQC-PJRHAEEISA-N 1 2 773.929 1.992 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)C[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095542250 562756623 /nfs/dbraw/zinc/75/66/23/562756623.db2.gz DHRSIRLKLYCBKS-AHNKTNHSSA-N 1 2 788.947 1.578 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)C[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095542250 562756622 /nfs/dbraw/zinc/75/66/22/562756622.db2.gz DHRSIRLKLYCBKS-AHNKTNHSSA-N 1 2 788.947 1.578 1 0 KDAFLO CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H]2CCCCN2C(=O)[C@@H]2CCCCN2C1=O ZINC000095542265 562756607 /nfs/dbraw/zinc/75/66/07/562756607.db2.gz WCNGAVKBHXZVJO-FJVAKGSSSA-N 1 2 755.921 1.944 1 0 KDAFLO CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@H]2CCCCN2C(=O)[C@@H]2CCCCN2C1=O ZINC000095542265 562756606 /nfs/dbraw/zinc/75/66/06/562756606.db2.gz WCNGAVKBHXZVJO-FJVAKGSSSA-N 1 2 755.921 1.944 1 0 KDAFLO CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)N2C[C@@H](OCOC)[C@@H](OCOC)C2)OC1=O ZINC000095542574 562756825 /nfs/dbraw/zinc/75/68/25/562756825.db2.gz JMMOGQZEXRYUGA-AZLCARDZSA-N 1 2 801.939 1.717 1 0 KDAFLO CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)N2C[C@@H](OCOC)[C@@H](OCOC)C2)OC1=O ZINC000095542574 562756824 /nfs/dbraw/zinc/75/68/24/562756824.db2.gz JMMOGQZEXRYUGA-AZLCARDZSA-N 1 2 801.939 1.717 1 0 KDAFLO CCCc1nnc(C[C@H](C[C@H](O)CN2CC[N@H+](C(C)(C)c3ncc(-c4cncc(OC)c4)o3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@H]2CCOC[C@H]2O)o1 ZINC000095543156 562757092 /nfs/dbraw/zinc/75/70/92/562757092.db2.gz XLSFPIJQEKLFBM-ZNNHMPJGSA-N 1 2 766.819 1.856 1 0 KDAFLO CCCc1nnc(C[C@H](C[C@H](O)CN2CC[N@@H+](C(C)(C)c3ncc(-c4cncc(OC)c4)o3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@H]2CCOC[C@H]2O)o1 ZINC000095543156 562757091 /nfs/dbraw/zinc/75/70/91/562757091.db2.gz XLSFPIJQEKLFBM-ZNNHMPJGSA-N 1 2 766.819 1.856 1 0 KDAFLO CCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])[C@@H](C)CC ZINC000095543276 562757176 /nfs/dbraw/zinc/75/71/76/562757176.db2.gz MXJAVUJFDFNLLJ-PTQLHCGHSA-N 1 2 788.947 1.722 1 0 KDAFLO CCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])[C@@H](C)CC ZINC000095543276 562757175 /nfs/dbraw/zinc/75/71/75/562757175.db2.gz MXJAVUJFDFNLLJ-PTQLHCGHSA-N 1 2 788.947 1.722 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000095543485 562757286 /nfs/dbraw/zinc/75/72/86/562757286.db2.gz HOFFUBRNVIEKLB-YVIQSYOBSA-N 1 2 799.974 1.646 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000095543485 562757285 /nfs/dbraw/zinc/75/72/85/562757285.db2.gz HOFFUBRNVIEKLB-YVIQSYOBSA-N 1 2 799.974 1.646 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000095543603 562757393 /nfs/dbraw/zinc/75/73/93/562757393.db2.gz NPLVYBNZRCATLV-AQRNZKBZSA-N 1 2 814.001 1.689 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000095543603 562757392 /nfs/dbraw/zinc/75/73/92/562757392.db2.gz NPLVYBNZRCATLV-AQRNZKBZSA-N 1 2 814.001 1.689 1 0 KDAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)CC(=O)NCCN1CCOCC1 ZINC000095545481 562758124 /nfs/dbraw/zinc/75/81/24/562758124.db2.gz YPLVCNVMFLYOTL-YRCZKMHPSA-N 1 2 789.997 1.252 1 0 KDAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)CC(=O)NCCN1CCOCC1 ZINC000095545481 562758123 /nfs/dbraw/zinc/75/81/23/562758123.db2.gz YPLVCNVMFLYOTL-YRCZKMHPSA-N 1 2 789.997 1.252 1 0 KDAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[S@@](=O)CC(=O)NCCN1CCOCC1 ZINC000095545522 562758137 /nfs/dbraw/zinc/75/81/37/562758137.db2.gz KHMZOPGYFWVVAB-JNXAWZLFSA-N 1 2 773.998 1.586 1 0 KDAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[S@@](=O)CC(=O)NCCN1CCOCC1 ZINC000095545522 562758136 /nfs/dbraw/zinc/75/81/36/562758136.db2.gz KHMZOPGYFWVVAB-JNXAWZLFSA-N 1 2 773.998 1.586 1 0 KDAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[S@](=O)CC(=O)NCCN1CCOCC1 ZINC000095545523 562758145 /nfs/dbraw/zinc/75/81/45/562758145.db2.gz KHMZOPGYFWVVAB-YLQSIXRMSA-N 1 2 773.998 1.586 1 0 KDAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[S@](=O)CC(=O)NCCN1CCOCC1 ZINC000095545523 562758144 /nfs/dbraw/zinc/75/81/44/562758144.db2.gz KHMZOPGYFWVVAB-YLQSIXRMSA-N 1 2 773.998 1.586 1 0 KDAFLO CCNC(=O)[C@@H](NC(=O)CCc1ccccc1)[C@@H]1N[C@@H](C(=O)NCCNC(=O)[C@@H]2[NH2+][C@@H]([C@H](NC(=O)CCc3ccccc3)C(=O)NCC)SC2(C)C)C(C)(C)S1 ZINC000095546162 562758354 /nfs/dbraw/zinc/75/83/54/562758354.db2.gz OSVARXBLQYUJJF-GDWNOHHZSA-N 1 2 811.088 1.346 1 0 KDAFLO CCNC(=O)[C@@H](NC(=O)/C=C\c1ccccc1)[C@@H]1N[C@@H](C(=O)NCCNC(=O)[C@@H]2[NH2+][C@@H]([C@H](NC(=O)/C=C\c3ccccc3)C(=O)NCC)SC2(C)C)C(C)(C)S1 ZINC000095546165 562758358 /nfs/dbraw/zinc/75/83/58/562758358.db2.gz PHRPVVBORYLBTD-QOXXXAJFSA-N 1 2 807.056 1.507 1 0 KDAFLO CSCC[C@@H]1[NH2+]C[C@@H](CC(C)C)NC(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(N)=O)NC1=O ZINC000095547561 562758798 /nfs/dbraw/zinc/75/87/98/562758798.db2.gz LYIZVKRYLGRVLP-ZIBKNMLNSA-N 1 2 762.978 1.435 1 0 KDAFLO CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O ZINC000095548199 562759152 /nfs/dbraw/zinc/75/91/52/562759152.db2.gz WCNGAVKBHXZVJO-DGPYOIOTSA-N 1 2 755.921 1.944 1 0 KDAFLO CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O ZINC000095548199 562759151 /nfs/dbraw/zinc/75/91/51/562759151.db2.gz WCNGAVKBHXZVJO-DGPYOIOTSA-N 1 2 755.921 1.944 1 0 KDAFLO O=C1NC(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CC[NH+](CCOCCOCCOCCn3cc(CNS(=O)(=O)c4ccc(F)cc4)nn3)CC2)C(=O)N1 ZINC000095548838 562759535 /nfs/dbraw/zinc/75/95/35/562759535.db2.gz RWOLXJOULAGHOB-UHFFFAOYSA-N 1 2 794.863 1.617 1 0 KDAFLO CN(Cc1cn(CCOCCOCCOCC[NH+]2CCN(C3(c4ccc(Oc5ccccc5)cc4)C(=O)NC(=O)NC3=O)CC2)nn1)S(=O)(=O)c1ccc(F)cc1 ZINC000095548839 562759523 /nfs/dbraw/zinc/75/95/23/562759523.db2.gz JZIODDCGNMBMLB-UHFFFAOYSA-N 1 2 808.890 1.959 1 0 KDAFLO CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC1(c2ccccc2)CCCC1 ZINC000095548951 562759610 /nfs/dbraw/zinc/75/96/10/562759610.db2.gz LASZOZWSYSUVFR-WZJUEYCOSA-N 1 2 792.910 1.018 1 0 KDAFLO COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1O[C@@H](C(=O)N[C@@H](Cc2ccccc2)[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)OC)[C@@H](O)[C@@H]1O ZINC000095551792 562760452 /nfs/dbraw/zinc/76/04/52/562760452.db2.gz CAMIQYVMECEVQV-WLIPCIQCSA-N 1 2 740.895 1.200 1 0 KDAFLO COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1O[C@@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)OC)[C@@H](O)[C@@H]1O ZINC000095551793 562760442 /nfs/dbraw/zinc/76/04/42/562760442.db2.gz CAMIQYVMECEVQV-OFSBYROYSA-N 1 2 740.895 1.200 1 0 KDAFLO Cc1nccc2sc(-c3c(C)[nH+]c(NCCN4CCOCC4)nc3N[C@@H]3C[C@H](C(C)(C)O)[C@@H](O)[C@H]3O)nc21 ZINC000095553140 562760860 /nfs/dbraw/zinc/76/08/60/562760860.db2.gz ZYVNIQBRVOMRFH-DVRVPYBTSA-N 1 2 543.694 1.802 1 0 KDAFLO CCc1nc2ccccc2n1-c1nc2c(nc(CN3CC[NH+](C(C)(C)C(N)=O)CC3)n2C)c(N2CCOCC2)n1 ZINC000095554171 562761164 /nfs/dbraw/zinc/76/11/64/562761164.db2.gz HHEZTSWNWDNXKB-UHFFFAOYSA-N 1 2 546.680 1.483 1 0 KDAFLO COc1ncc(Nc2ncc(C(C)(C)[NH+]3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cc1F ZINC000095556994 562761934 /nfs/dbraw/zinc/76/19/34/562761934.db2.gz DZRQGNOLDZNGKA-UHFFFAOYSA-N 1 2 531.618 1.923 1 0 KDAFLO Cc1nc(N)nc(-c2cc(C[NH+]3CCOCC3)cnc2Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)n1 ZINC000095559764 562762869 /nfs/dbraw/zinc/76/28/69/562762869.db2.gz ZMAXXRHYLSDAIN-UHFFFAOYSA-N 1 2 535.034 1.667 1 0 KDAFLO Cc1nc(N)nc(-c2cc(C[NH+]3CCOCC3)cnc2Nc2cnc(Cl)c(NS(C)(=O)=O)c2)n1 ZINC000095559804 562762898 /nfs/dbraw/zinc/76/28/98/562762898.db2.gz GNMXQROCYSRVEQ-UHFFFAOYSA-N 1 2 505.992 1.820 1 0 KDAFLO CC[C@H](C)[C@@H](NC(=O)[C@H](O)Cc1cc(Cl)c(O)c(Br)c1)C(=O)N1[C@H](C(=O)NCCCCNC(N)=[NH2+])C[C@@H]2CC[C@@H](O)C[C@@H]21 ZINC000095560170 562762989 /nfs/dbraw/zinc/76/29/89/562762989.db2.gz NONLYEHCSKGAFP-GPSFYHMWSA-N 1 2 688.064 1.752 1 0 KDAFLO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)[C@@H]1[NH2+]CCO1 ZINC000095562326 562763698 /nfs/dbraw/zinc/76/36/98/562763698.db2.gz HNRNHSSPRYSYIA-IBPRQYQWSA-N 1 2 502.612 1.584 1 0 KDAFLO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)[C@H]1[NH2+]CCO1 ZINC000095562327 562763695 /nfs/dbraw/zinc/76/36/95/562763695.db2.gz HNRNHSSPRYSYIA-CIEVZJJWSA-N 1 2 502.612 1.584 1 0 KDAFLO CC[C@H](C)[C@@H]1[NH2+]CCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CO)N(C)C1=O ZINC000095563327 562763941 /nfs/dbraw/zinc/76/39/41/562763941.db2.gz XWHHHOXGPJZCNQ-GUFCLIDSSA-N 1 2 538.689 1.679 1 0 KDAFLO CC(C)C[C@@H](NC(=O)[C@H](O)Cc1cc(Cl)c(O)c(Cl)c1)C(=O)N1[C@H](C(=O)NCCCCNC(N)=[NH2+])C[C@@H]2CC[C@@H](O)C[C@@H]21 ZINC000095563346 562763965 /nfs/dbraw/zinc/76/39/65/562763965.db2.gz MNXFJDXHLSUJHU-PVPAWSFNSA-N 1 2 643.613 1.643 1 0 KDAFLO CC[C@H](C)[C@@H](NC(=O)[C@H](O)Cc1cc(Br)c(O)c(Br)c1)C(=O)N1[C@H](C(=O)NCCCCNC(N)=[NH2+])C[C@@H]2CC[C@@H](O)C[C@@H]21 ZINC000095563995 562764136 /nfs/dbraw/zinc/76/41/36/562764136.db2.gz HLHFYIIZYTUCEC-GPSFYHMWSA-N 1 2 732.515 1.861 1 0 KDAFLO COc1cccc2cc(CN(Cc3ccccc3)C(=O)C[NH2+]Cc3cn([C@H]4C[C@H](n5cc(C)c(=O)[nH]c5=O)O[C@@H]4CO)nn3)c(=O)oc21 ZINC000095602833 562780219 /nfs/dbraw/zinc/78/02/19/562780219.db2.gz BYLDWKMUOXUBJI-BOSLPAGOSA-N 1 2 657.684 1.391 1 0 KDAFLO Cc1cn([C@H]2C[C@H](n3cc(C[NH2+]Cc4cc5cc(Br)ccc5oc4=O)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC000095603865 562780700 /nfs/dbraw/zinc/78/07/00/562780700.db2.gz OTPOUSYWPZVGEH-DFQSSKMNSA-N 1 2 559.377 1.116 1 0 KDAFLO CCOc1cccc2cc(CN(Cc3ccccc3)C(=O)C[NH2+]Cc3cn([C@H]4C[C@H](n5cc(C)c(=O)[nH]c5=O)O[C@@H]4CO)nn3)c(=O)oc21 ZINC000095603986 562780781 /nfs/dbraw/zinc/78/07/81/562780781.db2.gz DUYWRFOCESYIQD-CVXIRMMQSA-N 1 2 671.711 1.781 1 0 KDAFLO Cc1cn([C@H]2C[C@H](n3cc(C[NH2+]CC(=O)N(Cc4ccccc4)Cc4cc5ccccc5oc4=O)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC000095604711 562781185 /nfs/dbraw/zinc/78/11/85/562781185.db2.gz WSKFRVYVNWWKSB-BOSLPAGOSA-N 1 2 627.658 1.383 1 0 KDAFLO Cc1cn([C@H]2C[C@H](n3cc(C[NH2+]Cc4cc5cc(Cl)ccc5oc4=O)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC000095605492 562781582 /nfs/dbraw/zinc/78/15/82/562781582.db2.gz JBCNZEMGWQJMQA-DFQSSKMNSA-N 1 2 514.926 1.007 1 0 KDAFLO CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O ZINC000095607074 562782627 /nfs/dbraw/zinc/78/26/27/562782627.db2.gz SUNHUNZIGMRKTB-GOXSYBKXSA-N 1 2 769.948 1.954 1 0 KDAFLO CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O ZINC000095607074 562782626 /nfs/dbraw/zinc/78/26/26/562782626.db2.gz SUNHUNZIGMRKTB-GOXSYBKXSA-N 1 2 769.948 1.954 1 0 KDAFLO Cn1c2nc3nc(NCC[NH+]4CCN(c5cccc(Cl)c5)CC4)c(Br)cn3c2c(=O)n(C)c1=O ZINC000095607296 562782723 /nfs/dbraw/zinc/78/27/23/562782723.db2.gz OHTZVVBDXMSRNH-UHFFFAOYSA-N 1 2 547.845 1.930 1 0 KDAFLO COc1ccccc1N1CC[NH+](CCNc2nc3nc4c(c(=O)n(C)c(=O)n4C)n3cc2Br)CC1 ZINC000095607297 562782704 /nfs/dbraw/zinc/78/27/04/562782704.db2.gz MRQQSBLXMAXDIC-UHFFFAOYSA-N 1 2 543.426 1.285 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C[NH3+])C(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095607298 562782712 /nfs/dbraw/zinc/78/27/12/562782712.db2.gz CDLJXXKSZOGIPE-PTQLHCGHSA-N 1 2 788.947 1.435 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C[NH3+])C(C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095607298 562782711 /nfs/dbraw/zinc/78/27/11/562782711.db2.gz CDLJXXKSZOGIPE-PTQLHCGHSA-N 1 2 788.947 1.435 1 0 KDAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@](O)(CNC(=O)[C@H]([NH3+])CS(C)(=O)=O)C2 ZINC000095607459 562782831 /nfs/dbraw/zinc/78/28/31/562782831.db2.gz FEVGJJNJVGFMJE-IGIFGJDOSA-N 1 2 581.801 1.342 1 0 KDAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@](O)(CNC(=O)[C@@H]([NH3+])CS(C)(=O)=O)C2 ZINC000095607460 562782829 /nfs/dbraw/zinc/78/28/29/562782829.db2.gz FEVGJJNJVGFMJE-HPVPFXCTSA-N 1 2 581.801 1.342 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095607660 562782991 /nfs/dbraw/zinc/78/29/91/562782991.db2.gz SQWZNTJOPGXAGA-RQCPJVKZSA-N 1 2 788.947 1.578 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095607660 562782990 /nfs/dbraw/zinc/78/29/90/562782990.db2.gz SQWZNTJOPGXAGA-RQCPJVKZSA-N 1 2 788.947 1.578 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C[NH3+])C(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC000095607790 562783089 /nfs/dbraw/zinc/78/30/89/562783089.db2.gz BRDHXPSHOMSVLE-SORIKHJUSA-N 1 2 802.974 1.825 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C[NH3+])C(C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC000095607790 562783088 /nfs/dbraw/zinc/78/30/88/562783088.db2.gz BRDHXPSHOMSVLE-SORIKHJUSA-N 1 2 802.974 1.825 1 0 KDAFLO CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CNC(=O)c1nn[nH]n1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095607791 562783099 /nfs/dbraw/zinc/78/30/99/562783099.db2.gz FMDXQIZZIVQWAK-WBAQKLHDSA-N 1 2 800.762 1.693 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C[C@H]([NH3+])C(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095607811 562783122 /nfs/dbraw/zinc/78/31/22/562783122.db2.gz JFQKRBRCFKDUCY-NBLDUJLVSA-N 1 2 788.947 1.578 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C[C@H]([NH3+])C(C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095607811 562783121 /nfs/dbraw/zinc/78/31/21/562783121.db2.gz JFQKRBRCFKDUCY-NBLDUJLVSA-N 1 2 788.947 1.578 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C[NH3+])C(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095607815 562783118 /nfs/dbraw/zinc/78/31/18/562783118.db2.gz CDLJXXKSZOGIPE-YGKFCERESA-N 1 2 788.947 1.435 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C[NH3+])C(C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095607815 562783117 /nfs/dbraw/zinc/78/31/17/562783117.db2.gz CDLJXXKSZOGIPE-YGKFCERESA-N 1 2 788.947 1.435 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095607835 562783146 /nfs/dbraw/zinc/78/31/46/562783146.db2.gz HYBPQVRYAVCDCZ-BJDCTHFYSA-N 1 2 788.947 1.578 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095607835 562783145 /nfs/dbraw/zinc/78/31/45/562783145.db2.gz HYBPQVRYAVCDCZ-BJDCTHFYSA-N 1 2 788.947 1.578 1 0 KDAFLO C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](COCc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1)C(N)=O ZINC000095609651 562783906 /nfs/dbraw/zinc/78/39/06/562783906.db2.gz MBWBRCHYFJETKY-XUIBBJDNSA-N 1 2 793.882 1.652 1 0 KDAFLO C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](COCc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1)C(N)=O ZINC000095609651 562783905 /nfs/dbraw/zinc/78/39/05/562783905.db2.gz MBWBRCHYFJETKY-XUIBBJDNSA-N 1 2 793.882 1.652 1 0 KDAFLO CC(C)C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O ZINC000095611268 562784946 /nfs/dbraw/zinc/78/49/46/562784946.db2.gz LCKIMAYTFGNSOJ-SRMNXDGMSA-N 1 2 755.921 1.944 1 0 KDAFLO CC(C)C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O ZINC000095611268 562784945 /nfs/dbraw/zinc/78/49/45/562784945.db2.gz LCKIMAYTFGNSOJ-SRMNXDGMSA-N 1 2 755.921 1.944 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC000095613516 562786355 /nfs/dbraw/zinc/78/63/55/562786355.db2.gz MRLMWPKWBFMCQO-USNFHXRZSA-N 1 2 788.947 1.578 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC000095613516 562786354 /nfs/dbraw/zinc/78/63/54/562786354.db2.gz MRLMWPKWBFMCQO-USNFHXRZSA-N 1 2 788.947 1.578 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000095613543 562786373 /nfs/dbraw/zinc/78/63/73/562786373.db2.gz ANVPWEIJDZEDRP-AHFGPNKOSA-N 1 2 788.947 1.435 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000095613543 562786372 /nfs/dbraw/zinc/78/63/72/562786372.db2.gz ANVPWEIJDZEDRP-AHFGPNKOSA-N 1 2 788.947 1.435 1 0 KDAFLO CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CNC(=O)c1nn[nH]n1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000095614382 562786583 /nfs/dbraw/zinc/78/65/83/562786583.db2.gz WHBWJFSQSGZODS-WBAQKLHDSA-N 1 2 811.661 1.437 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@H](CNC(=O)[C@@H]([NH3+])C(C)C)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095614493 562786671 /nfs/dbraw/zinc/78/66/71/562786671.db2.gz IPUNAMAJBDSPMS-AHFGPNKOSA-N 1 2 788.947 1.435 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@H](CNC(=O)[C@@H]([NH3+])C(C)C)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095614493 562786670 /nfs/dbraw/zinc/78/66/70/562786670.db2.gz IPUNAMAJBDSPMS-AHFGPNKOSA-N 1 2 788.947 1.435 1 0 KDAFLO FC(F)c1nc2c(cccc2OCC[NH+]2CCOCC2)n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000096271522 562793829 /nfs/dbraw/zinc/79/38/29/562793829.db2.gz QWXMIWGVRDPXHK-UHFFFAOYSA-N 1 2 546.579 1.532 1 0 KDAFLO CC(C)c1nc2cc(Cl)cc(C(=O)NCC3CC[NH+](C[C@H](O)CN4CCN(S(C)(=O)=O)CC4)CC3)c2[nH]1 ZINC000096272873 562794334 /nfs/dbraw/zinc/79/43/34/562794334.db2.gz LTNICOZLLWAENB-FQEVSTJZSA-N 1 2 555.145 1.720 1 0 KDAFLO CC(C)c1nc2c(cc(Cl)cc2C(=O)NCC2CC[NH+](C[C@H](O)CN3CCN(S(C)(=O)=O)CC3)CC2)[nH]1 ZINC000096272873 562794333 /nfs/dbraw/zinc/79/43/33/562794333.db2.gz LTNICOZLLWAENB-FQEVSTJZSA-N 1 2 555.145 1.720 1 0 KDAFLO CC(C)c1nc2cc(Cl)cc(C(=O)NCC3CC[NH+](C[C@@H](O)CN4CCN(S(C)(=O)=O)CC4)CC3)c2[nH]1 ZINC000096272874 562794324 /nfs/dbraw/zinc/79/43/24/562794324.db2.gz LTNICOZLLWAENB-HXUWFJFHSA-N 1 2 555.145 1.720 1 0 KDAFLO CC(C)c1nc2c(cc(Cl)cc2C(=O)NCC2CC[NH+](C[C@@H](O)CN3CCN(S(C)(=O)=O)CC3)CC2)[nH]1 ZINC000096272874 562794323 /nfs/dbraw/zinc/79/43/23/562794323.db2.gz LTNICOZLLWAENB-HXUWFJFHSA-N 1 2 555.145 1.720 1 0 KDAFLO CS(=O)(=O)N1CCN(C[C@H](O)C[NH+]2CCC(CNC(=O)c3cccc4nc(-c5ccccc5)[nH]c43)CC2)CC1 ZINC000096272875 562794331 /nfs/dbraw/zinc/79/43/31/562794331.db2.gz OPWPTXBWGBOQAM-HSZRJFAPSA-N 1 2 554.717 1.610 1 0 KDAFLO CS(=O)(=O)N1CCN(C[C@H](O)C[NH+]2CCC(CNC(=O)c3cccc4[nH]c(-c5ccccc5)nc43)CC2)CC1 ZINC000096272875 562794330 /nfs/dbraw/zinc/79/43/30/562794330.db2.gz OPWPTXBWGBOQAM-HSZRJFAPSA-N 1 2 554.717 1.610 1 0 KDAFLO CS(=O)(=O)N1CCN(C[C@@H](O)C[NH+]2CCC(CNC(=O)c3cccc4nc(-c5ccccc5)[nH]c43)CC2)CC1 ZINC000096272876 562794353 /nfs/dbraw/zinc/79/43/53/562794353.db2.gz OPWPTXBWGBOQAM-QHCPKHFHSA-N 1 2 554.717 1.610 1 0 KDAFLO CS(=O)(=O)N1CCN(C[C@@H](O)C[NH+]2CCC(CNC(=O)c3cccc4[nH]c(-c5ccccc5)nc43)CC2)CC1 ZINC000096272876 562794352 /nfs/dbraw/zinc/79/43/52/562794352.db2.gz OPWPTXBWGBOQAM-QHCPKHFHSA-N 1 2 554.717 1.610 1 0 KDAFLO CC(F)(F)c1nc2cccc(C(=O)NCC3CC[NH+](C[C@H](O)CN4CCN(S(C)(=O)=O)CC4)CC3)c2[nH]1 ZINC000096272877 562794304 /nfs/dbraw/zinc/79/43/04/562794304.db2.gz RXKLPZCVAQKBQA-SFHVURJKSA-N 1 2 542.653 1.055 1 0 KDAFLO CC(F)(F)c1nc2c(cccc2C(=O)NCC2CC[NH+](C[C@H](O)CN3CCN(S(C)(=O)=O)CC3)CC2)[nH]1 ZINC000096272877 562794303 /nfs/dbraw/zinc/79/43/03/562794303.db2.gz RXKLPZCVAQKBQA-SFHVURJKSA-N 1 2 542.653 1.055 1 0 KDAFLO CC(F)(F)c1nc2cccc(C(=O)NCC3CC[NH+](C[C@@H](O)CN4CCN(S(C)(=O)=O)CC4)CC3)c2[nH]1 ZINC000096272878 562794309 /nfs/dbraw/zinc/79/43/09/562794309.db2.gz RXKLPZCVAQKBQA-GOSISDBHSA-N 1 2 542.653 1.055 1 0 KDAFLO CC(F)(F)c1nc2c(cccc2C(=O)NCC2CC[NH+](C[C@@H](O)CN3CCN(S(C)(=O)=O)CC3)CC2)[nH]1 ZINC000096272878 562794308 /nfs/dbraw/zinc/79/43/08/562794308.db2.gz RXKLPZCVAQKBQA-GOSISDBHSA-N 1 2 542.653 1.055 1 0 KDAFLO CC(C)(C)c1nc2cccc(C(=O)NCC3CC[NH+](C[C@H](O)CN4CCN(S(C)(=O)=O)CC4)CC3)c2[nH]1 ZINC000096272879 562794338 /nfs/dbraw/zinc/79/43/38/562794338.db2.gz RCBBDNFCXSBDIT-FQEVSTJZSA-N 1 2 534.727 1.240 1 0 KDAFLO CC(C)(C)c1nc2c(cccc2C(=O)NCC2CC[NH+](C[C@H](O)CN3CCN(S(C)(=O)=O)CC3)CC2)[nH]1 ZINC000096272879 562794337 /nfs/dbraw/zinc/79/43/37/562794337.db2.gz RCBBDNFCXSBDIT-FQEVSTJZSA-N 1 2 534.727 1.240 1 0 KDAFLO CC(C)(C)c1nc2cccc(C(=O)NCC3CC[NH+](C[C@@H](O)CN4CCN(S(C)(=O)=O)CC4)CC3)c2[nH]1 ZINC000096272880 562794320 /nfs/dbraw/zinc/79/43/20/562794320.db2.gz RCBBDNFCXSBDIT-HXUWFJFHSA-N 1 2 534.727 1.240 1 0 KDAFLO CC(C)(C)c1nc2c(cccc2C(=O)NCC2CC[NH+](C[C@@H](O)CN3CCN(S(C)(=O)=O)CC3)CC2)[nH]1 ZINC000096272880 562794319 /nfs/dbraw/zinc/79/43/19/562794319.db2.gz RCBBDNFCXSBDIT-HXUWFJFHSA-N 1 2 534.727 1.240 1 0 KDAFLO CC(C)c1nc2cccc(C(=O)NCC3CC[NH+](C[C@H](O)CN4CCN(S(C)(=O)=O)CC4)CC3)c2[nH]1 ZINC000096272883 562794341 /nfs/dbraw/zinc/79/43/41/562794341.db2.gz XSOUQQFRYGKIGJ-FQEVSTJZSA-N 1 2 520.700 1.066 1 0 KDAFLO CC(C)c1nc2c(cccc2C(=O)NCC2CC[NH+](C[C@H](O)CN3CCN(S(C)(=O)=O)CC3)CC2)[nH]1 ZINC000096272883 562794340 /nfs/dbraw/zinc/79/43/40/562794340.db2.gz XSOUQQFRYGKIGJ-FQEVSTJZSA-N 1 2 520.700 1.066 1 0 KDAFLO CC(C)c1nc2cccc(C(=O)NCC3CC[NH+](C[C@@H](O)CN4CCN(S(C)(=O)=O)CC4)CC3)c2[nH]1 ZINC000096272884 562794316 /nfs/dbraw/zinc/79/43/16/562794316.db2.gz XSOUQQFRYGKIGJ-HXUWFJFHSA-N 1 2 520.700 1.066 1 0 KDAFLO CC(C)c1nc2c(cccc2C(=O)NCC2CC[NH+](C[C@@H](O)CN3CCN(S(C)(=O)=O)CC3)CC2)[nH]1 ZINC000096272884 562794315 /nfs/dbraw/zinc/79/43/15/562794315.db2.gz XSOUQQFRYGKIGJ-HXUWFJFHSA-N 1 2 520.700 1.066 1 0 KDAFLO CCc1nc2ccccc2n1-c1nc2c(nc(NC3C[NH+](C4CCS(=O)(=O)CC4)C3)n2C)c(N2CCOCC2)n1 ZINC000096282506 562794719 /nfs/dbraw/zinc/79/47/19/562794719.db2.gz PVAHRMVXBZGNMN-UHFFFAOYSA-N 1 2 565.704 1.775 1 0 KDAFLO CCc1nc2ccccc2n1-c1nc2c(nc(N(C)C3C[NH+](C4CCS(=O)(=O)CC4)C3)n2C)c(N2CCOCC2)n1 ZINC000096282507 562794748 /nfs/dbraw/zinc/79/47/48/562794748.db2.gz MDHQOWGCIBPNHT-UHFFFAOYSA-N 1 2 579.731 1.799 1 0 KDAFLO CCc1c2nc(-c3cc(S(=O)(=O)N4CC[NH+](CC)CC4)cnc3O[C@H](C)COC)[nH]c(=O)c2nn1CCOC ZINC000096319473 562796586 /nfs/dbraw/zinc/79/65/86/562796586.db2.gz ZAFPETYWHMLHGN-QGZVFWFLSA-N 1 2 563.681 1.543 1 0 KDAFLO OC[C@H]1O[C@@H](n2cnc3c2nc(NCCc2c[nH+]c[nH]2)nc3NCc2cccc(I)c2)[C@H](O)[C@@H]1O ZINC000096901336 562797076 /nfs/dbraw/zinc/79/70/76/562797076.db2.gz OZJJBYXEBMKCFR-QTQZEZTPSA-N 1 2 592.398 1.032 1 0 KDAFLO OC[C@H]1O[C@@H](n2cnc3c2nc(NCCc2c[nH]c[nH+]2)nc3NCc2cccc(I)c2)[C@H](O)[C@@H]1O ZINC000096901336 562797075 /nfs/dbraw/zinc/79/70/75/562797075.db2.gz OZJJBYXEBMKCFR-QTQZEZTPSA-N 1 2 592.398 1.032 1 0 KDAFLO C[C@H]1O[C@@H](Oc2ccc([C@H]3CCCN(C(=O)/C=C/c4ccccc4)CCCNC(=O)CC[NH2+]3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000096903130 562797848 /nfs/dbraw/zinc/79/78/48/562797848.db2.gz HMNHBXZMWVCOIJ-PLQCHNLOSA-N 1 2 567.683 1.756 1 0 KDAFLO COc1cc2[nH+]c(N3CCCN(C(=O)N4C[C@@H](O)[C@@H](O)C4)CC3)nc(Nc3ccccn3)c2cc1OC ZINC000096904031 562798095 /nfs/dbraw/zinc/79/80/95/562798095.db2.gz XZARZPFYWWFYGA-KDURUIRLSA-N 1 2 509.567 1.455 1 0 KDAFLO CCOC(=O)c1c(C)cc2nc(COC(=O)NCCOC(=O)[C@@H]3CCCC[NH2+]3)n(-c3ccccc3S(=O)(=O)NC)c(=O)c2c1C ZINC000096908007 562799288 /nfs/dbraw/zinc/79/92/88/562799288.db2.gz QDIGXAOLURDGTN-FQEVSTJZSA-N 1 2 643.719 1.999 1 0 KDAFLO CCOC(=O)c1c(C)cc2nc(COC(=O)NCCOC(=O)[C@H]3CCCC[NH2+]3)n(-c3ccccc3S(=O)(=O)NC)c(=O)c2c1C ZINC000096908008 562799281 /nfs/dbraw/zinc/79/92/81/562799281.db2.gz QDIGXAOLURDGTN-HXUWFJFHSA-N 1 2 643.719 1.999 1 0 KDAFLO O=C(C[NH+]1CCN(c2ccccc2)CC1)Sc1nnc(-c2cc(=O)[nH]c3[nH]c(=O)[nH]c(=O)c23)n1-c1ccc(F)cc1 ZINC000098083712 562805486 /nfs/dbraw/zinc/80/54/86/562805486.db2.gz YAAJVUIQPWKVAB-UHFFFAOYSA-N 1 2 574.598 1.732 1 0 KDAFLO COc1cccc(C(=O)c2cccc(C=c3[nH]c(=O)c(=Cc4[nH+]c[nH]c4C(C)(C)C)[nH]c3=O)c2)c1OC ZINC000102987455 562813918 /nfs/dbraw/zinc/81/39/18/562813918.db2.gz KTDIFXDYNGQAES-NMGXZBPKSA-N 1 2 500.555 1.990 1 0 KDAFLO COc1cccc(C(=O)c2cccc(C=c3[nH]c(=O)c(=Cc4nc[nH]c4C(C)(C)C)[nH]c3=O)c2)c1OC ZINC000102987455 562813917 /nfs/dbraw/zinc/81/39/17/562813917.db2.gz KTDIFXDYNGQAES-NMGXZBPKSA-N 1 2 500.555 1.990 1 0 KDAFLO COc1ccc(C(=O)c2cccc(C=c3[nH]c(=O)c(=Cc4[nH+]c[nH]c4C(C)(C)C)[nH]c3=O)c2)c(OC)c1 ZINC000102987457 562813929 /nfs/dbraw/zinc/81/39/29/562813929.db2.gz WBBOXHMOYYTPFZ-GWGAMZPFSA-N 1 2 500.555 1.990 1 0 KDAFLO COc1ccc(C(=O)c2cccc(C=c3[nH]c(=O)c(=Cc4nc[nH]c4C(C)(C)C)[nH]c3=O)c2)c(OC)c1 ZINC000102987457 562813928 /nfs/dbraw/zinc/81/39/28/562813928.db2.gz WBBOXHMOYYTPFZ-GWGAMZPFSA-N 1 2 500.555 1.990 1 0 KDAFLO COc1ccc(C(=O)c2cccc(C=c3[nH]c(=O)c(=Cc4[nH+]c[nH]c4C(C)(C)C)[nH]c3=O)c2)cc1OC ZINC000102987460 562813935 /nfs/dbraw/zinc/81/39/35/562813935.db2.gz RFRFSHTZXQESPT-KGDRBKAHSA-N 1 2 500.555 1.990 1 0 KDAFLO COc1ccc(C(=O)c2cccc(C=c3[nH]c(=O)c(=Cc4nc[nH]c4C(C)(C)C)[nH]c3=O)c2)cc1OC ZINC000102987460 562813934 /nfs/dbraw/zinc/81/39/34/562813934.db2.gz RFRFSHTZXQESPT-KGDRBKAHSA-N 1 2 500.555 1.990 1 0 KDAFLO COc1cc(C(=O)c2cccc(C=c3[nH]c(=O)c(=Cc4[nH+]c[nH]c4C(C)(C)C)[nH]c3=O)c2)cc(OC)c1OC ZINC000102987463 562813976 /nfs/dbraw/zinc/81/39/76/562813976.db2.gz QWYRDMKWYZFZIJ-KLCVWCHLSA-N 1 2 530.581 1.998 1 0 KDAFLO COc1cc(C(=O)c2cccc(C=c3[nH]c(=O)c(=Cc4nc[nH]c4C(C)(C)C)[nH]c3=O)c2)cc(OC)c1OC ZINC000102987463 562813975 /nfs/dbraw/zinc/81/39/75/562813975.db2.gz QWYRDMKWYZFZIJ-KLCVWCHLSA-N 1 2 530.581 1.998 1 0 KDAFLO C[NH+](C)CCN1CC[NH+](CC(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4C3CC3)CC2)CC1 ZINC000103231200 562818226 /nfs/dbraw/zinc/81/82/26/562818226.db2.gz FNMHJXSEZYXBIB-UHFFFAOYSA-N 1 2 528.629 1.002 1 0 KDAFLO CCCn1c2nc3n(c2c(=O)n(CCC)c1=O)CCCN3CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000103240093 562819355 /nfs/dbraw/zinc/81/93/55/562819355.db2.gz VMSSHNWOIUEKHM-UHFFFAOYSA-N 1 2 537.665 1.743 1 0 KDAFLO Cn1c2nc3n(c2c(=O)n(C)c1=O)CCCN3CC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000103248637 562820082 /nfs/dbraw/zinc/82/00/82/562820082.db2.gz DEWDJOBRWGPMKT-UHFFFAOYSA-N 1 2 519.528 1.007 1 0 KDAFLO CC(=O)CCn1nc(-c2cn3c4c(cc(F)c(N5CC[NH+](C)CC5)c4OC[C@H]3C)c2=O)n(N)c1=S ZINC000103289756 562824028 /nfs/dbraw/zinc/82/40/28/562824028.db2.gz VXHVDQSELSFNBO-CYBMUJFWSA-N 1 2 501.588 1.933 1 0 KDAFLO CC(=O)CCn1nc(-c2cn3c4c(cc(F)c(N5CC[NH+](C)CC5)c4OC[C@@H]3C)c2=O)n(N)c1=S ZINC000103289759 562824021 /nfs/dbraw/zinc/82/40/21/562824021.db2.gz VXHVDQSELSFNBO-ZDUSSCGKSA-N 1 2 501.588 1.933 1 0 KDAFLO COc1cc2cc(C3CCCC3)c(C(=O)CCCn3cc[nH+]c3)c(O)c2c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 ZINC000103527087 560051144 /nfs/dbraw/zinc/05/11/44/560051144.db2.gz JJOWARVBHMNNRA-YFTHNEECSA-O 1 2 557.620 1.669 1 0 biogenic,in-vitro KDAFLO COc1ccc2c(c1)S(=O)(=O)Cc1c(C(=O)N3CCOCC3)nn([C@H]3CCCN(CC[NH+]4CCOCC4)C3)c1-2 ZINC000112939092 562825492 /nfs/dbraw/zinc/82/54/92/562825492.db2.gz VDKPPWNYXRVYDM-FQEVSTJZSA-N 1 2 559.689 1.288 1 0 KDAFLO O=C(c1nn([C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c2c1CS(=O)(=O)c1c(Cl)cccc1-2)N1CCOCC1 ZINC000112939107 562825519 /nfs/dbraw/zinc/82/55/19/562825519.db2.gz AYRHYIQWAHXGQS-LJQANCHMSA-N 1 2 564.108 1.932 1 0 KDAFLO O=C(c1nn(C2CCN(CC[NH+]3CCOCC3)CC2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112939134 562825479 /nfs/dbraw/zinc/82/54/79/562825479.db2.gz DIHKSILZPYDOBE-UHFFFAOYSA-N 1 2 529.663 1.279 1 0 KDAFLO C[C@H]1CN(CC[N@H+]2CCC[C@H](n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)C2)CCO1 ZINC000112940240 562825555 /nfs/dbraw/zinc/82/55/55/562825555.db2.gz LINCHXKNCSPOKA-SFTDATJTSA-N 1 2 543.690 1.667 1 0 KDAFLO C[C@H]1CN(CC[N@@H+]2CCC[C@H](n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)C2)CCO1 ZINC000112940240 562825554 /nfs/dbraw/zinc/82/55/54/562825554.db2.gz LINCHXKNCSPOKA-SFTDATJTSA-N 1 2 543.690 1.667 1 0 KDAFLO C[C@@H]1CN(CC[N@H+]2CCC[C@H](n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)C2)CCO1 ZINC000112940248 562825563 /nfs/dbraw/zinc/82/55/63/562825563.db2.gz LINCHXKNCSPOKA-RTWAWAEBSA-N 1 2 543.690 1.667 1 0 KDAFLO C[C@@H]1CN(CC[N@@H+]2CCC[C@H](n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)C2)CCO1 ZINC000112940248 562825562 /nfs/dbraw/zinc/82/55/62/562825562.db2.gz LINCHXKNCSPOKA-RTWAWAEBSA-N 1 2 543.690 1.667 1 0 KDAFLO O=C(c1nn([C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940665 562825617 /nfs/dbraw/zinc/82/56/17/562825617.db2.gz CQOAMUDQCWRECW-HXUWFJFHSA-N 1 2 529.663 1.279 1 0 KDAFLO O=C(c1nn([C@H]2CCCN(CC[NH+]3CCOCC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940668 562825642 /nfs/dbraw/zinc/82/56/42/562825642.db2.gz CQOAMUDQCWRECW-FQEVSTJZSA-N 1 2 529.663 1.279 1 0 KDAFLO O=C(c1nn(C2C[NH+](CCC3CCOCC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940725 562825649 /nfs/dbraw/zinc/82/56/49/562825649.db2.gz YYMJOSXPNZYXDU-UHFFFAOYSA-N 1 2 500.621 1.983 1 0 KDAFLO O=C(c1nn([C@H]2CCC[N@@H+](CCN3CCCC3=O)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940900 562825706 /nfs/dbraw/zinc/82/57/06/562825706.db2.gz YRTQNKZPRFQKJD-IBGZPJMESA-N 1 2 527.647 1.569 1 0 KDAFLO O=C(c1nn([C@H]2CCC[N@H+](CCN3CCCC3=O)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940900 562825705 /nfs/dbraw/zinc/82/57/05/562825705.db2.gz YRTQNKZPRFQKJD-IBGZPJMESA-N 1 2 527.647 1.569 1 0 KDAFLO COc1cccc2c1S(=O)(=O)Cc1c(C(=O)N3CCOCC3)nn([C@H]3CCC[N@@H+](CCN4CC(F)(F)C4)C3)c1-2 ZINC000112940917 562825686 /nfs/dbraw/zinc/82/56/86/562825686.db2.gz PEIFGMMJOLFHBE-SFHVURJKSA-N 1 2 565.643 1.906 1 0 KDAFLO COc1cccc2c1S(=O)(=O)Cc1c(C(=O)N3CCOCC3)nn([C@H]3CCC[N@H+](CCN4CC(F)(F)C4)C3)c1-2 ZINC000112940917 562825685 /nfs/dbraw/zinc/82/56/85/562825685.db2.gz PEIFGMMJOLFHBE-SFHVURJKSA-N 1 2 565.643 1.906 1 0 KDAFLO COc1ccc2c(c1)S(=O)(=O)Cc1c(C(=O)N3CCOCC3)nn([C@H]3CCC[N@@H+](CCN4CC(F)(F)C4)C3)c1-2 ZINC000112940991 562825721 /nfs/dbraw/zinc/82/57/21/562825721.db2.gz QXVMJULCQQDHKX-SFHVURJKSA-N 1 2 565.643 1.906 1 0 KDAFLO COc1ccc2c(c1)S(=O)(=O)Cc1c(C(=O)N3CCOCC3)nn([C@H]3CCC[N@H+](CCN4CC(F)(F)C4)C3)c1-2 ZINC000112940991 562825720 /nfs/dbraw/zinc/82/57/20/562825720.db2.gz QXVMJULCQQDHKX-SFHVURJKSA-N 1 2 565.643 1.906 1 0 KDAFLO O=C(c1nn([C@H]2CCCN(CC[NH+]3CCOCC3)C2)c2c1CS(=O)(=O)c1c(Cl)cccc1-2)N1CCOCC1 ZINC000112941006 562825713 /nfs/dbraw/zinc/82/57/13/562825713.db2.gz AYRHYIQWAHXGQS-IBGZPJMESA-N 1 2 564.108 1.932 1 0 KDAFLO Cc1cccc2c1S(=O)(=O)Cc1c(C(=O)N3CCOCC3)nn([C@H]3CCCN(CC[NH+]4CCOCC4)C3)c1-2 ZINC000112941068 562825690 /nfs/dbraw/zinc/82/56/90/562825690.db2.gz KXKADLQRHDFGBR-NRFANRHFSA-N 1 2 543.690 1.587 1 0 KDAFLO O=C(c1nn([C@H]2CCC[N@H+](CCN3CC[C@@H](F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941189 562825671 /nfs/dbraw/zinc/82/56/71/562825671.db2.gz FUMQATBGDGLOKH-UXHICEINSA-N 1 2 531.654 1.991 1 0 KDAFLO O=C(c1nn([C@H]2CCC[N@@H+](CCN3CC[C@@H](F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941189 562825670 /nfs/dbraw/zinc/82/56/70/562825670.db2.gz FUMQATBGDGLOKH-UXHICEINSA-N 1 2 531.654 1.991 1 0 KDAFLO O=C(c1nn([C@H]2CCC[N@H+](CCN3CC[C@H](F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941501 562825780 /nfs/dbraw/zinc/82/57/80/562825780.db2.gz FUMQATBGDGLOKH-PMACEKPBSA-N 1 2 531.654 1.991 1 0 KDAFLO O=C(c1nn([C@H]2CCC[N@@H+](CCN3CC[C@H](F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941501 562825779 /nfs/dbraw/zinc/82/57/79/562825779.db2.gz FUMQATBGDGLOKH-PMACEKPBSA-N 1 2 531.654 1.991 1 0 KDAFLO C[C@@H]1COCC[N@H+]1CCN1CCC[C@H](n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)C1 ZINC000112941534 562825805 /nfs/dbraw/zinc/82/58/05/562825805.db2.gz HWJADHWXPJWORQ-RTWAWAEBSA-N 1 2 543.690 1.667 1 0 KDAFLO C[C@@H]1COCC[N@@H+]1CCN1CCC[C@H](n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)C1 ZINC000112941534 562825804 /nfs/dbraw/zinc/82/58/04/562825804.db2.gz HWJADHWXPJWORQ-RTWAWAEBSA-N 1 2 543.690 1.667 1 0 KDAFLO C[C@H]1COCC[N@H+]1CCN1CCC[C@H](n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)C1 ZINC000112941536 562825793 /nfs/dbraw/zinc/82/57/93/562825793.db2.gz HWJADHWXPJWORQ-SFTDATJTSA-N 1 2 543.690 1.667 1 0 KDAFLO C[C@H]1COCC[N@@H+]1CCN1CCC[C@H](n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)C1 ZINC000112941536 562825792 /nfs/dbraw/zinc/82/57/92/562825792.db2.gz HWJADHWXPJWORQ-SFTDATJTSA-N 1 2 543.690 1.667 1 0 KDAFLO O=C(c1nn([C@H]2CC[N@H+](CCN3CC[C@@H](F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941857 562825860 /nfs/dbraw/zinc/82/58/60/562825860.db2.gz MDBPGMMGPFYUIX-MOPGFXCFSA-N 1 2 517.627 1.600 1 0 KDAFLO O=C(c1nn([C@H]2CC[N@@H+](CCN3CC[C@@H](F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941857 562825859 /nfs/dbraw/zinc/82/58/59/562825859.db2.gz MDBPGMMGPFYUIX-MOPGFXCFSA-N 1 2 517.627 1.600 1 0 KDAFLO O=C(c1nn([C@H]2CC[N@H+](CCN3CC(F)(F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941892 562825877 /nfs/dbraw/zinc/82/58/77/562825877.db2.gz GCMPYYJJMWUTQX-KRWDZBQOSA-N 1 2 521.590 1.508 1 0 KDAFLO O=C(c1nn([C@H]2CC[N@@H+](CCN3CC(F)(F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941892 562825876 /nfs/dbraw/zinc/82/58/76/562825876.db2.gz GCMPYYJJMWUTQX-KRWDZBQOSA-N 1 2 521.590 1.508 1 0 KDAFLO O=C(c1nn([C@@H]2CC[N@H+](CCN3CC(F)(F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941895 562825869 /nfs/dbraw/zinc/82/58/69/562825869.db2.gz GCMPYYJJMWUTQX-QGZVFWFLSA-N 1 2 521.590 1.508 1 0 KDAFLO O=C(c1nn([C@@H]2CC[N@@H+](CCN3CC(F)(F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941895 562825868 /nfs/dbraw/zinc/82/58/68/562825868.db2.gz GCMPYYJJMWUTQX-QGZVFWFLSA-N 1 2 521.590 1.508 1 0 KDAFLO O=C(c1nn([C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c2c1CS(=O)(=O)c1c(F)cccc1-2)N1CCOCC1 ZINC000112942101 562825881 /nfs/dbraw/zinc/82/58/81/562825881.db2.gz WJNLASRFJUMLIF-LJQANCHMSA-N 1 2 547.653 1.418 1 0 KDAFLO COc1cccc2c1S(=O)(=O)Cc1c(C(=O)N3CCOCC3)nn([C@H]3CCC[N@@H+](CCN4CC(F)C4)C3)c1-2 ZINC000112942193 562825915 /nfs/dbraw/zinc/82/59/15/562825915.db2.gz IVJBBSRYSTWCRD-IBGZPJMESA-N 1 2 547.653 1.609 1 0 KDAFLO COc1cccc2c1S(=O)(=O)Cc1c(C(=O)N3CCOCC3)nn([C@H]3CCC[N@H+](CCN4CC(F)C4)C3)c1-2 ZINC000112942193 562825914 /nfs/dbraw/zinc/82/59/14/562825914.db2.gz IVJBBSRYSTWCRD-IBGZPJMESA-N 1 2 547.653 1.609 1 0 KDAFLO O=C(c1nn([C@H]2CCC[N@H+](CCN3CC(F)(F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112942278 562825910 /nfs/dbraw/zinc/82/59/10/562825910.db2.gz XJQPXTWNTSKISQ-SFHVURJKSA-N 1 2 535.617 1.898 1 0 KDAFLO O=C(c1nn([C@H]2CCC[N@@H+](CCN3CC(F)(F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112942278 562825909 /nfs/dbraw/zinc/82/59/09/562825909.db2.gz XJQPXTWNTSKISQ-SFHVURJKSA-N 1 2 535.617 1.898 1 0 KDAFLO O=C(c1nn([C@@H]2CCC[N@H+](CCN3CC(F)(F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112942281 562825929 /nfs/dbraw/zinc/82/59/29/562825929.db2.gz XJQPXTWNTSKISQ-GOSISDBHSA-N 1 2 535.617 1.898 1 0 KDAFLO O=C(c1nn([C@@H]2CCC[N@@H+](CCN3CC(F)(F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112942281 562825928 /nfs/dbraw/zinc/82/59/28/562825928.db2.gz XJQPXTWNTSKISQ-GOSISDBHSA-N 1 2 535.617 1.898 1 0 KDAFLO O=C(c1nn([C@H]2CCCN(CC[NH+]3CCOCC3)C2)c2c1CS(=O)(=O)c1c(F)cccc1-2)N1CCOCC1 ZINC000112942480 562825907 /nfs/dbraw/zinc/82/59/07/562825907.db2.gz WJNLASRFJUMLIF-IBGZPJMESA-N 1 2 547.653 1.418 1 0 KDAFLO O=C(c1nn([C@H]2CCCN(CC[NH+]3CCOCC3)C2)c2c1CS(=O)(=O)c1cc(F)ccc1-2)N1CCOCC1 ZINC000112942628 562825945 /nfs/dbraw/zinc/82/59/45/562825945.db2.gz AVPAAQMVQVGYGP-FQEVSTJZSA-N 1 2 547.653 1.418 1 0 KDAFLO COc1cccc2c1S(=O)(=O)Cc1c(C(=O)N3CCOCC3)nn([C@H]3CCCN(CC[NH+]4CCOCC4)C3)c1-2 ZINC000112943287 562825963 /nfs/dbraw/zinc/82/59/63/562825963.db2.gz MEDRUYBTHOYYBE-FQEVSTJZSA-N 1 2 559.689 1.288 1 0 KDAFLO COc1ccc2c(c1)-c1c(c(C(=O)N3CCOCC3)nn1[C@@H]1CCCN(CC[NH+]3CCOCC3)C1)CS2(=O)=O ZINC000112943347 562826069 /nfs/dbraw/zinc/82/60/69/562826069.db2.gz FHCPWFJAEYLMGM-HXUWFJFHSA-N 1 2 559.689 1.288 1 0 KDAFLO COc1ccc2c(c1)-c1c(c(C(=O)N3CCOCC3)nn1[C@H]1CCCN(CC[NH+]3CCOCC3)C1)CS2(=O)=O ZINC000112943350 562826065 /nfs/dbraw/zinc/82/60/65/562826065.db2.gz FHCPWFJAEYLMGM-FQEVSTJZSA-N 1 2 559.689 1.288 1 0 KDAFLO COC1C[NH+](CCN2CCC[C@H](n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)C2)C1 ZINC000112943359 562826061 /nfs/dbraw/zinc/82/60/61/562826061.db2.gz JLOYLMZLENULHD-IBGZPJMESA-N 1 2 529.663 1.277 1 0 KDAFLO COC1CN(CC[N@H+]2CCC[C@H](n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)C2)C1 ZINC000112943359 562826060 /nfs/dbraw/zinc/82/60/60/562826060.db2.gz JLOYLMZLENULHD-IBGZPJMESA-N 1 2 529.663 1.277 1 0 KDAFLO COC1CN(CC[N@@H+]2CCC[C@H](n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)C2)C1 ZINC000112943359 562826059 /nfs/dbraw/zinc/82/60/59/562826059.db2.gz JLOYLMZLENULHD-IBGZPJMESA-N 1 2 529.663 1.277 1 0 KDAFLO CC(=O)NCC[N@H+]1CCC[C@H](n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)C1 ZINC000112943464 562826041 /nfs/dbraw/zinc/82/60/41/562826041.db2.gz QBKNGTZPHDZTCI-SFHVURJKSA-N 1 2 501.609 1.083 1 0 KDAFLO CC(=O)NCC[N@@H+]1CCC[C@H](n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)C1 ZINC000112943464 562826040 /nfs/dbraw/zinc/82/60/40/562826040.db2.gz QBKNGTZPHDZTCI-SFHVURJKSA-N 1 2 501.609 1.083 1 0 KDAFLO O=C(c1nn(-c2ccc(C[NH+]3CCOCC3)nc2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112943575 562826047 /nfs/dbraw/zinc/82/60/47/562826047.db2.gz VJKOJLHWXVHBEO-UHFFFAOYSA-N 1 2 509.588 1.526 1 0 KDAFLO COc1ncc(Nc2ncc(C[N@H+]3CCN(S(C)(=O)=O)[C@H](C)C3)cc2-c2nc(C)nc(N)n2)cc1F ZINC000113152607 562826274 /nfs/dbraw/zinc/82/62/74/562826274.db2.gz GHVPGSGUWBIKOC-CYBMUJFWSA-N 1 2 517.591 1.576 1 0 KDAFLO COc1ncc(Nc2ncc(C[N@@H+]3CCN(S(C)(=O)=O)[C@H](C)C3)cc2-c2nc(C)nc(N)n2)cc1F ZINC000113152607 562826273 /nfs/dbraw/zinc/82/62/73/562826273.db2.gz GHVPGSGUWBIKOC-CYBMUJFWSA-N 1 2 517.591 1.576 1 0 KDAFLO COc1ccc(Nc2ncc(C(C)(C)[NH+]3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc(N)n2)cn1 ZINC000113155186 562826280 /nfs/dbraw/zinc/82/62/80/562826280.db2.gz HSPXGKKJQPZSAT-UHFFFAOYSA-N 1 2 513.628 1.784 1 0 KDAFLO COc1ncc(Nc2ncc(C[NH+]3CCOCC3)cc2-c2nc(C)nc(N)n2)cc1NS(C)(=O)=O ZINC000113234732 562826363 /nfs/dbraw/zinc/82/63/63/562826363.db2.gz CRLUOVZIARBIMV-UHFFFAOYSA-N 1 2 501.573 1.175 1 0 KDAFLO COc1ncc(Nc2ncc(C[N@H+]3CCN4[C@@H](CCS4(=O)=O)C3)cc2-c2nc(C)nc(N)n2)cc1F ZINC000113239516 562826399 /nfs/dbraw/zinc/82/63/99/562826399.db2.gz LREVAOQQZNSHCI-INIZCTEOSA-N 1 2 515.575 1.330 1 0 KDAFLO COc1ncc(Nc2ncc(C[N@@H+]3CCN4[C@@H](CCS4(=O)=O)C3)cc2-c2nc(C)nc(N)n2)cc1F ZINC000113239516 562826398 /nfs/dbraw/zinc/82/63/98/562826398.db2.gz LREVAOQQZNSHCI-INIZCTEOSA-N 1 2 515.575 1.330 1 0 KDAFLO COc1ncc(Nc2ncc([C@@H](C)[N@H+]3CCN(S(C)(=O)=O)C[C@@H]3C)cc2-c2nc(C)nc(N)n2)cn1 ZINC000113240889 562826421 /nfs/dbraw/zinc/82/64/21/562826421.db2.gz MMHAEDBURINXPB-UONOGXRCSA-N 1 2 514.616 1.393 1 0 KDAFLO COc1ncc(Nc2ncc([C@@H](C)[N@@H+]3CCN(S(C)(=O)=O)C[C@@H]3C)cc2-c2nc(C)nc(N)n2)cn1 ZINC000113240889 562826420 /nfs/dbraw/zinc/82/64/20/562826420.db2.gz MMHAEDBURINXPB-UONOGXRCSA-N 1 2 514.616 1.393 1 0 KDAFLO COc1cc([C@@]2(O)CC[N@@H+](CC(N)=O)C[C@@H]2O)ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1 ZINC000114010103 562826895 /nfs/dbraw/zinc/82/68/95/562826895.db2.gz QWZLSPOZTWBRAI-LSYYVWMOSA-N 1 2 595.682 1.284 1 0 KDAFLO COc1cc([C@@]2(O)CC[N@H+](CC(N)=O)C[C@@H]2O)ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1 ZINC000114010103 562826894 /nfs/dbraw/zinc/82/68/94/562826894.db2.gz QWZLSPOZTWBRAI-LSYYVWMOSA-N 1 2 595.682 1.284 1 0 KDAFLO O=C(Nc1ccc(Cl)cn1)[C@H](C[NH+]1CC(O)C1)Oc1ncnc2c1cnn2-c1ncccc1Cl ZINC000114684378 562828377 /nfs/dbraw/zinc/82/83/77/562828377.db2.gz JQOAKFQCBDRCMF-INIZCTEOSA-N 1 2 501.334 1.975 1 0 KDAFLO CC(C)Nc1nc(-c2ccc(NCCN3CC[NH+](C)CC3)c(S(C)(=O)=O)c2)cc2ncn(C)c(=O)c21 ZINC000115621870 562828989 /nfs/dbraw/zinc/82/89/89/562828989.db2.gz CGIQEUWIMDYEDA-UHFFFAOYSA-N 1 2 513.668 1.879 1 0 KDAFLO CC[NH+]1CCN(CCS(=O)(=O)c2ccc(-c3cc4ncn(C)c(=O)c4c(NCCCO)n3)cc2)CC1 ZINC000115625642 562829002 /nfs/dbraw/zinc/82/90/02/562829002.db2.gz GHJHJPFAYROITE-UHFFFAOYSA-N 1 2 514.652 1.201 1 0 KDAFLO Cn1cnc2cc(-c3ccc(NCCN4CC[NH+](C)CC4)c(S(C)(=O)=O)c3)nc(NC3CC3)c2c1=O ZINC000115627076 562829022 /nfs/dbraw/zinc/82/90/22/562829022.db2.gz XMIDDUJXKRFCGW-UHFFFAOYSA-N 1 2 511.652 1.633 1 0 KDAFLO Cn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(C(=O)NCC[NH+]4CCOCC4)CC3)cc2)CC1 ZINC000138543395 562832072 /nfs/dbraw/zinc/83/20/72/562832072.db2.gz QEPAIZPHKGNYIB-UHFFFAOYSA-N 1 2 551.692 1.680 1 0 KDAFLO CCS(=O)(=O)C[C@H](COc1ccc(-n2cnn3cc(-c4ncc(Cl)cn4)cc3c2=O)cc1OC)OC(=O)C[NH3+] ZINC000140534460 562833103 /nfs/dbraw/zinc/83/31/03/562833103.db2.gz ZACOEHLCYRANFV-SFHVURJKSA-N 1 2 577.019 1.288 1 0 KDAFLO CCS(=O)(=O)C[C@H](COc1ccc(-n2cnn3cc(-c4ccc(Cl)cn4)cc3c2=O)cc1OC)OC(=O)C[NH3+] ZINC000140534885 562833133 /nfs/dbraw/zinc/83/31/33/562833133.db2.gz RGZIDAFGZBVYKZ-IBGZPJMESA-N 1 2 576.031 1.893 1 0 KDAFLO COc1ncc(Nc2ncc(C[N@H+]3CCN4[C@H](CCS4(=O)=O)C3)cc2-c2nc(C)nc(N)n2)cc1F ZINC000143463094 562835065 /nfs/dbraw/zinc/83/50/65/562835065.db2.gz LREVAOQQZNSHCI-MRXNPFEDSA-N 1 2 515.575 1.330 1 0 KDAFLO COc1ncc(Nc2ncc(C[N@@H+]3CCN4[C@H](CCS4(=O)=O)C3)cc2-c2nc(C)nc(N)n2)cc1F ZINC000143463094 562835064 /nfs/dbraw/zinc/83/50/64/562835064.db2.gz LREVAOQQZNSHCI-MRXNPFEDSA-N 1 2 515.575 1.330 1 0 KDAFLO CO[C@@H]1[C@@H](F)CN(C(=O)Cn2nc(C(N)=O)c3c[nH+]ccc32)[C@@H]1C(=O)NCc1cccc(Cl)c1F ZINC000143971162 562835514 /nfs/dbraw/zinc/83/55/14/562835514.db2.gz FGCNRDSZKOTADV-PNHOKKKMSA-N 1 2 506.897 1.203 1 0 KDAFLO CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(C[NH+]4CCOCC4)cc3)cc2s1 ZINC000143992785 562835611 /nfs/dbraw/zinc/83/56/11/562835611.db2.gz AGPBDXKQZPRBGN-NRFANRHFSA-N 1 2 552.700 1.286 1 0 KDAFLO CS(=O)(=O)[C@@H](C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(C[NH+]4CCOCC4)cc3)cc2s1 ZINC000143992785 562835610 /nfs/dbraw/zinc/83/56/10/562835610.db2.gz AGPBDXKQZPRBGN-NRFANRHFSA-N 1 2 552.700 1.286 1 0 KDAFLO CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(C[NH+]4CCOCC4)cc3)cc2s1 ZINC000143992991 562835609 /nfs/dbraw/zinc/83/56/09/562835609.db2.gz AGPBDXKQZPRBGN-OAQYLSRUSA-N 1 2 552.700 1.286 1 0 KDAFLO CS(=O)(=O)[C@H](C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(C[NH+]4CCOCC4)cc3)cc2s1 ZINC000143992991 562835608 /nfs/dbraw/zinc/83/56/08/562835608.db2.gz AGPBDXKQZPRBGN-OAQYLSRUSA-N 1 2 552.700 1.286 1 0 KDAFLO CO[C@@H]1[C@@H](F)CN(C(=O)Cn2nc(C(N)=O)c3c[nH+]ccc32)[C@@H]1C(=O)NC1(c2cccc(Cl)c2F)CC1 ZINC000144003344 562835586 /nfs/dbraw/zinc/83/55/86/562835586.db2.gz QEUGCUZWRACJPD-ONGXBYRLSA-N 1 2 532.935 1.692 1 0 KDAFLO CO[C@@H]1[C@@H](F)CN(C(=O)Cn2nc(C(N)=O)c3c[nH+]ccc32)[C@@H]1C(=O)N[C@H](C)c1cccc(Cl)c1F ZINC000144032209 562835678 /nfs/dbraw/zinc/83/56/78/562835678.db2.gz BQMDGYAUGLRMHR-UJKFASIKSA-N 1 2 520.924 1.764 1 0 KDAFLO Cc1nnc(CNC(=O)C(c2nc3cc(C)c(-c4cnn(CC[NH+]5CCOCC5)c4)cc3s2)S(C)(=O)=O)o1 ZINC000144143294 562835847 /nfs/dbraw/zinc/83/58/47/562835847.db2.gz OCMKSUUTCSTSHJ-QFIPXVFZSA-N 1 2 559.674 1.894 1 0 KDAFLO Cc1nnc(CNC(=O)[C@@H](c2nc3cc(C)c(-c4cnn(CC[NH+]5CCOCC5)c4)cc3s2)S(C)(=O)=O)o1 ZINC000144143294 562835846 /nfs/dbraw/zinc/83/58/46/562835846.db2.gz OCMKSUUTCSTSHJ-QFIPXVFZSA-N 1 2 559.674 1.894 1 0 KDAFLO Cc1nnc(CNC(=O)C(c2nc3cc(C)c(-c4cnn(CC[NH+]5CCOCC5)c4)cc3s2)S(C)(=O)=O)o1 ZINC000144143479 562835836 /nfs/dbraw/zinc/83/58/36/562835836.db2.gz OCMKSUUTCSTSHJ-JOCHJYFZSA-N 1 2 559.674 1.894 1 0 KDAFLO Cc1nnc(CNC(=O)[C@H](c2nc3cc(C)c(-c4cnn(CC[NH+]5CCOCC5)c4)cc3s2)S(C)(=O)=O)o1 ZINC000144143479 562835835 /nfs/dbraw/zinc/83/58/35/562835835.db2.gz OCMKSUUTCSTSHJ-JOCHJYFZSA-N 1 2 559.674 1.894 1 0 KDAFLO CS(=O)(=O)[C@@H](C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(OCC[NH+]4CCOCC4)cc3)cc2s1 ZINC000145463871 562837062 /nfs/dbraw/zinc/83/70/62/562837062.db2.gz LKKVFPLANIPPOB-QFIPXVFZSA-N 1 2 582.726 1.165 1 0 KDAFLO CS(=O)(=O)[C@H](C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(OCC[NH+]4CCOCC4)cc3)cc2s1 ZINC000145464107 562837068 /nfs/dbraw/zinc/83/70/68/562837068.db2.gz LKKVFPLANIPPOB-JOCHJYFZSA-N 1 2 582.726 1.165 1 0 KDAFLO CC(C)CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3cnn(CC[NH+]4CCOCC4)c3)cc2s1 ZINC000145475149 562837111 /nfs/dbraw/zinc/83/71/11/562837111.db2.gz QPZMXKHRLIDMNM-QFIPXVFZSA-N 1 2 598.773 1.009 1 0 KDAFLO CC(C)CS(=O)(=O)[C@@H](C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3cnn(CC[NH+]4CCOCC4)c3)cc2s1 ZINC000145475149 562837110 /nfs/dbraw/zinc/83/71/10/562837110.db2.gz QPZMXKHRLIDMNM-QFIPXVFZSA-N 1 2 598.773 1.009 1 0 KDAFLO CC(C)CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3cnn(CC[NH+]4CCOCC4)c3)cc2s1 ZINC000145475307 562837139 /nfs/dbraw/zinc/83/71/39/562837139.db2.gz QPZMXKHRLIDMNM-JOCHJYFZSA-N 1 2 598.773 1.009 1 0 KDAFLO CC(C)CS(=O)(=O)[C@H](C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3cnn(CC[NH+]4CCOCC4)c3)cc2s1 ZINC000145475307 562837138 /nfs/dbraw/zinc/83/71/38/562837138.db2.gz QPZMXKHRLIDMNM-JOCHJYFZSA-N 1 2 598.773 1.009 1 0 KDAFLO C[N@H+]1CCc2nc(C(=O)N[C@H]3CCN(S(C)(=O)=O)C[C@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000146234917 562838411 /nfs/dbraw/zinc/83/84/11/562838411.db2.gz GTRHBKNWTACPMR-QFBILLFUSA-N 1 2 551.094 1.828 1 0 KDAFLO C[N@@H+]1CCc2nc(C(=O)N[C@H]3CCN(S(C)(=O)=O)C[C@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000146234917 562838410 /nfs/dbraw/zinc/83/84/10/562838410.db2.gz GTRHBKNWTACPMR-QFBILLFUSA-N 1 2 551.094 1.828 1 0 KDAFLO COc1ccccc1-c1ccc2cnc(Nc3ccc([C@@]4(O)CC[N@@H+](CC(N)=O)C[C@@H]4O)cc3OC)nn21 ZINC000147736721 562839530 /nfs/dbraw/zinc/83/95/30/562839530.db2.gz ZOFQVSXDXOPPQJ-IGKIAQTJSA-N 1 2 518.574 1.897 1 0 KDAFLO COc1ccccc1-c1ccc2cnc(Nc3ccc([C@@]4(O)CC[N@H+](CC(N)=O)C[C@@H]4O)cc3OC)nn21 ZINC000147736721 562839529 /nfs/dbraw/zinc/83/95/29/562839529.db2.gz ZOFQVSXDXOPPQJ-IGKIAQTJSA-N 1 2 518.574 1.897 1 0 KDAFLO Cc1c2c(ccc1[C@@H]1C[N@H+]3CCN(C(=O)[C@@H]4CCc5nc(-n6cnnn6)ccc54)C[C@@H]3CCO1)C(=O)OC2 ZINC000148949265 562842021 /nfs/dbraw/zinc/84/20/21/562842021.db2.gz JSPLQWFEUZGCGU-IQOKHDRSSA-N 1 2 515.574 1.740 1 0 KDAFLO Cc1c2c(ccc1[C@@H]1C[N@@H+]3CCN(C(=O)[C@@H]4CCc5nc(-n6cnnn6)ccc54)C[C@@H]3CCO1)C(=O)OC2 ZINC000148949265 562842020 /nfs/dbraw/zinc/84/20/20/562842020.db2.gz JSPLQWFEUZGCGU-IQOKHDRSSA-N 1 2 515.574 1.740 1 0 KDAFLO O=C(CNc1ncnc2ccc(C(F)(F)F)cc21)NC1C[NH+](C2CCC(N3CCS(=O)(=O)CC3)CC2)C1 ZINC000149141311 562842220 /nfs/dbraw/zinc/84/22/20/562842220.db2.gz UFFAGXRZBXPFQV-UHFFFAOYSA-N 1 2 540.612 1.903 1 0 KDAFLO CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)NC(C)(C)Cc1ccc(I)cc1I ZINC000150577921 562845387 /nfs/dbraw/zinc/84/53/87/562845387.db2.gz PBZQTKCADFYAJS-ZJOUEHCJSA-N 1 2 855.488 1.278 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(Cn2cc[nH+]c2)o1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000150593629 562846405 /nfs/dbraw/zinc/84/64/05/562846405.db2.gz OCLHUFRBIBOYGP-NFWZRYHXSA-N 1 2 721.860 1.760 1 0 KDAFLO COc1ccc(CNc2nc(N3CCC[C@H]3CO)ncc2C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1Cl ZINC000167002509 562850532 /nfs/dbraw/zinc/85/05/32/562850532.db2.gz CFQCGXUAGOJKPS-ZWKOTPCHSA-N 1 2 505.019 1.772 1 0 KDAFLO COc1ccc(CNc2nc(N3CCC[C@H]3CO)ncc2C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1Cl ZINC000167002509 562850531 /nfs/dbraw/zinc/85/05/31/562850531.db2.gz CFQCGXUAGOJKPS-ZWKOTPCHSA-N 1 2 505.019 1.772 1 0 KDAFLO COc1ccc(CNc2nc(N3CCC[C@H]3CO)ncc2C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1Cl ZINC000167144316 562850637 /nfs/dbraw/zinc/85/06/37/562850637.db2.gz CFQCGXUAGOJKPS-ROUUACIJSA-N 1 2 505.019 1.772 1 0 KDAFLO COc1ccc(CNc2nc(N3CCC[C@H]3CO)ncc2C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1Cl ZINC000167144316 562850636 /nfs/dbraw/zinc/85/06/36/562850636.db2.gz CFQCGXUAGOJKPS-ROUUACIJSA-N 1 2 505.019 1.772 1 0 KDAFLO CS(=O)(=O)N1CCC[C@H](Nc2nc(N3CCN(c4cccc[nH+]4)CC3)ncc2-c2cnc3[nH]ccc3n2)C1 ZINC000168803840 562851551 /nfs/dbraw/zinc/85/15/51/562851551.db2.gz OIIBZFKNIUFBTG-SFHVURJKSA-N 1 2 534.650 1.972 1 0 KDAFLO CS(=O)(=O)N1CCC[C@H](Nc2nc(N3CCC(CC(N)=O)CC3)[nH+]cc2-c2cnc3[nH]ccc3n2)C1 ZINC000169070960 562851621 /nfs/dbraw/zinc/85/16/21/562851621.db2.gz HACRCBAIIDXXCJ-INIZCTEOSA-N 1 2 513.628 1.343 1 0 KDAFLO CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)COc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000169321161 562856569 /nfs/dbraw/zinc/85/65/69/562856569.db2.gz GPRUYLDATGQOHQ-ZZTWKDBPSA-N 1 2 739.874 1.738 1 0 KDAFLO CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)COc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000169321161 562856568 /nfs/dbraw/zinc/85/65/68/562856568.db2.gz GPRUYLDATGQOHQ-ZZTWKDBPSA-N 1 2 739.874 1.738 1 0 KDAFLO CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000169323106 562856954 /nfs/dbraw/zinc/85/69/54/562856954.db2.gz NKFOIGBFTVJTDL-JPRYDEJLSA-N 1 2 794.954 1.407 1 0 KDAFLO CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000169323106 562856953 /nfs/dbraw/zinc/85/69/53/562856953.db2.gz NKFOIGBFTVJTDL-JPRYDEJLSA-N 1 2 794.954 1.407 1 0 KDAFLO CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000169325130 562857566 /nfs/dbraw/zinc/85/75/66/562857566.db2.gz NWUZVLDOGPFCBW-LBBUGJAGSA-N 1 2 760.937 1.210 1 0 KDAFLO CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000169325130 562857565 /nfs/dbraw/zinc/85/75/65/562857565.db2.gz NWUZVLDOGPFCBW-LBBUGJAGSA-N 1 2 760.937 1.210 1 0 KDAFLO O=C(NCCNC(=O)c1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(NCC(c2ccccc2)c2ccccc2)n1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000169346533 562861814 /nfs/dbraw/zinc/86/18/14/562861814.db2.gz ZHQNOECYYOPOGK-AAAKGCLZSA-N 1 2 736.834 1.775 1 0 KDAFLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000169348384 562862231 /nfs/dbraw/zinc/86/22/31/562862231.db2.gz ARONSXKWADDJQQ-PSWJWLENSA-N 1 2 688.789 1.832 1 0 KDAFLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000169348384 562862230 /nfs/dbraw/zinc/86/22/30/562862230.db2.gz ARONSXKWADDJQQ-PSWJWLENSA-N 1 2 688.789 1.832 1 0 KDAFLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000169348385 562862192 /nfs/dbraw/zinc/86/21/92/562862192.db2.gz ARONSXKWADDJQQ-HVRNLMOBSA-N 1 2 688.789 1.832 1 0 KDAFLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000169348385 562862191 /nfs/dbraw/zinc/86/21/91/562862191.db2.gz ARONSXKWADDJQQ-HVRNLMOBSA-N 1 2 688.789 1.832 1 0 KDAFLO COCCN(C[C@@H](O)C[N@H+]1CCC[C@@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)noc1C ZINC000169348394 562862195 /nfs/dbraw/zinc/86/21/95/562862195.db2.gz PDAQYFOOWGQKFR-YADARESESA-N 1 2 523.608 1.495 1 0 KDAFLO COCCN(C[C@@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)noc1C ZINC000169348394 562862194 /nfs/dbraw/zinc/86/21/94/562862194.db2.gz PDAQYFOOWGQKFR-YADARESESA-N 1 2 523.608 1.495 1 0 KDAFLO COCCN(C[C@H](O)C[N@H+]1CCC[C@@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)noc1C ZINC000169348395 562862199 /nfs/dbraw/zinc/86/21/99/562862199.db2.gz PDAQYFOOWGQKFR-NTKDMRAZSA-N 1 2 523.608 1.495 1 0 KDAFLO COCCN(C[C@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)noc1C ZINC000169348395 562862198 /nfs/dbraw/zinc/86/21/98/562862198.db2.gz PDAQYFOOWGQKFR-NTKDMRAZSA-N 1 2 523.608 1.495 1 0 KDAFLO CCOCCN(C[C@@H](O)C[N@H+]1CCC[C@@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)noc1C ZINC000169348740 562862368 /nfs/dbraw/zinc/86/23/68/562862368.db2.gz ILHDZJHLVBFCDE-NBGIEHNGSA-N 1 2 537.635 1.885 1 0 KDAFLO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)noc1C ZINC000169348740 562862367 /nfs/dbraw/zinc/86/23/67/562862367.db2.gz ILHDZJHLVBFCDE-NBGIEHNGSA-N 1 2 537.635 1.885 1 0 KDAFLO CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC[C@@H]([NH3+])C(=O)[O-] ZINC000169369544 562864737 /nfs/dbraw/zinc/86/47/37/562864737.db2.gz HZMKMSYGVTVKSN-KLLDHOPQSA-N 1 2 772.945 1.304 1 0 KDAFLO CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC[C@@H]([NH3+])C(=O)[O-] ZINC000169369544 562864736 /nfs/dbraw/zinc/86/47/36/562864736.db2.gz HZMKMSYGVTVKSN-KLLDHOPQSA-N 1 2 772.945 1.304 1 0 KDAFLO CC(C)C[C@H](NC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC[C@@H]([NH3+])C(=O)[O-] ZINC000169369545 562864732 /nfs/dbraw/zinc/86/47/32/562864732.db2.gz HZMKMSYGVTVKSN-KEZSLLOOSA-N 1 2 772.945 1.304 1 0 KDAFLO CC(C)C[C@H](NC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC[C@@H]([NH3+])C(=O)[O-] ZINC000169369545 562864731 /nfs/dbraw/zinc/86/47/31/562864731.db2.gz HZMKMSYGVTVKSN-KEZSLLOOSA-N 1 2 772.945 1.304 1 0 KDAFLO C[C@@H]1C=CC=C1C(=O)N1CCN(C(=O)NC2CCN(c3ccc(C(=O)NCC[NH+]4CCOCC4)cc3)CC2)CC1 ZINC000169703267 562868696 /nfs/dbraw/zinc/86/86/96/562868696.db2.gz XVEYLKHFXAXMPA-HSZRJFAPSA-N 1 2 550.704 1.704 1 0 KDAFLO C[C@H]1C=CC=C1C(=O)N1CCN(C(=O)NC2CCN(c3ccc(C(=O)NCC[NH+]4CCOCC4)cc3)CC2)CC1 ZINC000169703268 562868676 /nfs/dbraw/zinc/86/86/76/562868676.db2.gz XVEYLKHFXAXMPA-QHCPKHFHSA-N 1 2 550.704 1.704 1 0 KDAFLO O=C(NCC[NH+]1CCOCC1)c1ccc(N2CCC(NC(=O)N3CCN(C(=O)c4ccc[nH]4)CC3)CC2)cc1 ZINC000169703285 562868694 /nfs/dbraw/zinc/86/86/94/562868694.db2.gz LFUMESUYPVIAMD-UHFFFAOYSA-N 1 2 537.665 1.213 1 0 KDAFLO Cc1cc(C)c(C(=O)N2CCN(C(=O)NC3CCN(c4ccc(C(=O)NCC[NH+]5CCOCC5)cc4)CC3)CC2)[nH]1 ZINC000169703286 562868660 /nfs/dbraw/zinc/86/86/60/562868660.db2.gz XKNZPVJWNXIRHQ-UHFFFAOYSA-N 1 2 565.719 1.830 1 0 KDAFLO Cn1ccc(C(=O)N2CCN(C(=O)NC3CCN(c4ccc(C(=O)NCC[NH+]5CCOCC5)cc4)CC3)CC2)c1 ZINC000169703287 562868680 /nfs/dbraw/zinc/86/86/80/562868680.db2.gz VOWHNTVVDVABKT-UHFFFAOYSA-N 1 2 551.692 1.224 1 0 KDAFLO O=C(NCC[NH+]1CCOCC1)c1ccc(N2CCC(NC(=O)N3CCN(C(=O)c4cccs4)CC3)CC2)cc1 ZINC000169703288 562868698 /nfs/dbraw/zinc/86/86/98/562868698.db2.gz VTMGOGFYMGJLPE-UHFFFAOYSA-N 1 2 554.717 1.947 1 0 KDAFLO O=C(NCC[NH+]1CCOCC1)c1ccc(N2CCC(NC(=O)N3CCN(C(=O)c4ccsc4)CC3)CC2)cc1 ZINC000169703289 562868682 /nfs/dbraw/zinc/86/86/82/562868682.db2.gz PQGCVZVPSINNEM-UHFFFAOYSA-N 1 2 554.717 1.947 1 0 KDAFLO O=C(NCC[NH+]1CCOCC1)c1ccc(N2CCC(NC(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)cc1 ZINC000169703290 562868700 /nfs/dbraw/zinc/86/87/00/562868700.db2.gz YJYGUWQDFSHNIJ-UHFFFAOYSA-N 1 2 538.649 1.478 1 0 KDAFLO O=C(NCC[NH+]1CCOCC1)c1ccc(N2CCC(NC(=O)N3CCN(C(=O)c4ccoc4)CC3)CC2)cc1 ZINC000169703291 562868673 /nfs/dbraw/zinc/86/86/73/562868673.db2.gz VKDMHOZKONMHKU-UHFFFAOYSA-N 1 2 538.649 1.478 1 0 KDAFLO O=C(NCC[NH+]1CCOCC1)c1ccc(N2CCC(NC(=O)N3CCN(C(=O)C4CCCC4)CC3)CC2)cc1 ZINC000169703294 562868722 /nfs/dbraw/zinc/86/87/22/562868722.db2.gz GJGHPUGZHYRIPI-UHFFFAOYSA-N 1 2 540.709 1.761 1 0 KDAFLO O=C(NCC[NH+]1CCOCC1)c1ccc(N2CCC(NC(=O)N3CCN(C(=O)c4ccccc4)CC3)CC2)cc1 ZINC000169703295 562868733 /nfs/dbraw/zinc/86/87/33/562868733.db2.gz SDCUAVIBLZLEIP-UHFFFAOYSA-N 1 2 548.688 1.885 1 0 KDAFLO COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CC(=O)N(C)C)Cc1cccc2ccccc21 ZINC000196313295 562872528 /nfs/dbraw/zinc/87/25/28/562872528.db2.gz RZMOWKJDMKEJNI-DYYCDWSUSA-N 1 2 579.698 1.992 1 0 KDAFLO COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CC(=O)N(C)C)Cc1cccc2ccccc21 ZINC000196313295 562872527 /nfs/dbraw/zinc/87/25/27/562872527.db2.gz RZMOWKJDMKEJNI-DYYCDWSUSA-N 1 2 579.698 1.992 1 0 KDAFLO COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](CC(=O)N(C)C)Cc1cccc2ccccc21 ZINC000196313308 562872518 /nfs/dbraw/zinc/87/25/18/562872518.db2.gz RZMOWKJDMKEJNI-HROVAUBSSA-N 1 2 579.698 1.992 1 0 KDAFLO COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](CC(=O)N(C)C)Cc1cccc2ccccc21 ZINC000196313308 562872517 /nfs/dbraw/zinc/87/25/17/562872517.db2.gz RZMOWKJDMKEJNI-HROVAUBSSA-N 1 2 579.698 1.992 1 0 KDAFLO COc1cc2[nH+]c(N3CCN(C(=O)c4cn(-c5cc6ccc(O)cc6oc5=O)nn4)CC3)nc(N)c2cc1OC ZINC000199430224 562872964 /nfs/dbraw/zinc/87/29/64/562872964.db2.gz OLJMQMOCFLSIIF-UHFFFAOYSA-N 1 2 544.528 1.584 1 0 KDAFLO OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(OCC4C[NH+](C5COC5)C4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000201748154 562873541 /nfs/dbraw/zinc/87/35/41/562873541.db2.gz CTBKTGMPGONTDS-RTJMFUJLSA-N 1 2 505.995 1.155 1 0 KDAFLO O=C(c1nn([C@@H]2CCC[N@H+](CCN3CC[C@@H](F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000203561462 562874040 /nfs/dbraw/zinc/87/40/40/562874040.db2.gz FUMQATBGDGLOKH-WOJBJXKFSA-N 1 2 531.654 1.991 1 0 KDAFLO O=C(c1nn([C@@H]2CCC[N@@H+](CCN3CC[C@@H](F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000203561462 562874039 /nfs/dbraw/zinc/87/40/39/562874039.db2.gz FUMQATBGDGLOKH-WOJBJXKFSA-N 1 2 531.654 1.991 1 0 KDAFLO O=C(c1nn([C@@H]2CCC[N@H+](CCN3CC[C@H](F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000203561506 562873996 /nfs/dbraw/zinc/87/39/96/562873996.db2.gz FUMQATBGDGLOKH-VQTJNVASSA-N 1 2 531.654 1.991 1 0 KDAFLO O=C(c1nn([C@@H]2CCC[N@@H+](CCN3CC[C@H](F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000203561506 562873995 /nfs/dbraw/zinc/87/39/95/562873995.db2.gz FUMQATBGDGLOKH-VQTJNVASSA-N 1 2 531.654 1.991 1 0 KDAFLO O=C(c1nn([C@@H]2CC[N@H+](CCN3CC[C@@H](F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000203561565 562874001 /nfs/dbraw/zinc/87/40/01/562874001.db2.gz MDBPGMMGPFYUIX-RTBURBONSA-N 1 2 517.627 1.600 1 0 KDAFLO O=C(c1nn([C@@H]2CC[N@@H+](CCN3CC[C@@H](F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000203561565 562874000 /nfs/dbraw/zinc/87/40/00/562874000.db2.gz MDBPGMMGPFYUIX-RTBURBONSA-N 1 2 517.627 1.600 1 0 KDAFLO CNC(=O)c1ccc(-c2cc3c(N[C@@H]4C[C@@H]5CN(C(=O)C(C)(C)O)C[C@@H]5[C@H]4C)c(C(N)=O)c[nH+]n3c2)cn1 ZINC000203815386 562874214 /nfs/dbraw/zinc/87/42/14/562874214.db2.gz DZRNUAOUPKHAOG-ROZLJVEFSA-N 1 2 519.606 1.521 1 0 KDAFLO CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc21)C(=O)C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000204202491 562874404 /nfs/dbraw/zinc/87/44/04/562874404.db2.gz CJUPSZHEOFHTOV-PPSCSQRBSA-N 1 2 656.784 1.286 1 0 KDAFLO CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2)C(=O)C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000204204624 562874411 /nfs/dbraw/zinc/87/44/11/562874411.db2.gz XRLXYJBWEZTQDO-PWBSAUPBSA-N 1 2 650.821 1.106 1 0 KDAFLO O=C(c1nn([C@@H]2CC[N@H+](CCN3CC[C@H](F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000204629452 562874555 /nfs/dbraw/zinc/87/45/55/562874555.db2.gz MDBPGMMGPFYUIX-RBUKOAKNSA-N 1 2 517.627 1.600 1 0 KDAFLO O=C(c1nn([C@@H]2CC[N@@H+](CCN3CC[C@H](F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000204629452 562874554 /nfs/dbraw/zinc/87/45/54/562874554.db2.gz MDBPGMMGPFYUIX-RBUKOAKNSA-N 1 2 517.627 1.600 1 0 KDAFLO O=C(c1nn([C@H]2CC[N@H+](CCN3CC[C@H](F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000204629465 562874566 /nfs/dbraw/zinc/87/45/66/562874566.db2.gz MDBPGMMGPFYUIX-OALUTQOASA-N 1 2 517.627 1.600 1 0 KDAFLO O=C(c1nn([C@H]2CC[N@@H+](CCN3CC[C@H](F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000204629465 562874565 /nfs/dbraw/zinc/87/45/65/562874565.db2.gz MDBPGMMGPFYUIX-OALUTQOASA-N 1 2 517.627 1.600 1 0 KDAFLO CC[C@@H](NC(=O)N1CC(NOc2ccccc2)=[NH+]C[C@@H](Cc2cc(Cl)ccc2OC)C1=O)C(=O)Nc1nn[nH]n1 ZINC000219470508 562878247 /nfs/dbraw/zinc/87/82/47/562878247.db2.gz WVUPKAULRXZDRV-VQIMIIECSA-N 1 2 570.010 1.972 1 0 KDAFLO CC[C@@H](NC(=O)N1CC(NOc2ccccc2)=[NH+]C[C@H](Cc2cc(Cl)ccc2OC)C1=O)C(=O)Nc1nn[nH]n1 ZINC000221482387 562879020 /nfs/dbraw/zinc/87/90/20/562879020.db2.gz WVUPKAULRXZDRV-QFBILLFUSA-N 1 2 570.010 1.972 1 0 KDAFLO NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3cnn(CC[NH+]4CCOCC4)c3)cc2s1)S(=O)(=O)Cc1ccccc1 ZINC000221942819 562879406 /nfs/dbraw/zinc/87/94/06/562879406.db2.gz DWRSQUWIAUDGHR-RUZDIDTESA-N 1 2 632.790 1.553 1 0 KDAFLO NS(=O)(=O)CCNC(=O)[C@H](c1nc2ccc(-c3cnn(CC[NH+]4CCOCC4)c3)cc2s1)S(=O)(=O)Cc1ccccc1 ZINC000221942819 562879405 /nfs/dbraw/zinc/87/94/05/562879405.db2.gz DWRSQUWIAUDGHR-RUZDIDTESA-N 1 2 632.790 1.553 1 0 KDAFLO NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3cnn(CC[NH+]4CCOCC4)c3)cc2s1)S(=O)(=O)Cc1ccccc1 ZINC000221942879 562879374 /nfs/dbraw/zinc/87/93/74/562879374.db2.gz DWRSQUWIAUDGHR-VWLOTQADSA-N 1 2 632.790 1.553 1 0 KDAFLO NS(=O)(=O)CCNC(=O)[C@@H](c1nc2ccc(-c3cnn(CC[NH+]4CCOCC4)c3)cc2s1)S(=O)(=O)Cc1ccccc1 ZINC000221942879 562879373 /nfs/dbraw/zinc/87/93/73/562879373.db2.gz DWRSQUWIAUDGHR-VWLOTQADSA-N 1 2 632.790 1.553 1 0 KDAFLO NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3cnn(CC[NH+]4CCOCC4)c3)cc2s1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000221989565 562879461 /nfs/dbraw/zinc/87/94/61/562879461.db2.gz YLNNIIQJKNUYKN-RUZDIDTESA-N 1 2 650.780 1.692 1 0 KDAFLO NS(=O)(=O)CCNC(=O)[C@H](c1nc2ccc(-c3cnn(CC[NH+]4CCOCC4)c3)cc2s1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000221989565 562879460 /nfs/dbraw/zinc/87/94/60/562879460.db2.gz YLNNIIQJKNUYKN-RUZDIDTESA-N 1 2 650.780 1.692 1 0 KDAFLO NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3cnn(CC[NH+]4CCOCC4)c3)cc2s1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000221989625 562879476 /nfs/dbraw/zinc/87/94/76/562879476.db2.gz YLNNIIQJKNUYKN-VWLOTQADSA-N 1 2 650.780 1.692 1 0 KDAFLO NS(=O)(=O)CCNC(=O)[C@@H](c1nc2ccc(-c3cnn(CC[NH+]4CCOCC4)c3)cc2s1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000221989625 562879475 /nfs/dbraw/zinc/87/94/75/562879475.db2.gz YLNNIIQJKNUYKN-VWLOTQADSA-N 1 2 650.780 1.692 1 0 KDAFLO NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3cnn(CC[NH+]4CCOCC4)c3)cc2s1)S(=O)(=O)CCCC(F)(F)F ZINC000222075790 562879541 /nfs/dbraw/zinc/87/95/41/562879541.db2.gz WJCDPSXSRUTOPO-OAQYLSRUSA-N 1 2 652.743 1.695 1 0 KDAFLO NS(=O)(=O)CCNC(=O)[C@H](c1nc2ccc(-c3cnn(CC[NH+]4CCOCC4)c3)cc2s1)S(=O)(=O)CCCC(F)(F)F ZINC000222075790 562879540 /nfs/dbraw/zinc/87/95/40/562879540.db2.gz WJCDPSXSRUTOPO-OAQYLSRUSA-N 1 2 652.743 1.695 1 0 KDAFLO NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3cnn(CC[NH+]4CCOCC4)c3)cc2s1)S(=O)(=O)CCCC(F)(F)F ZINC000222075847 562879509 /nfs/dbraw/zinc/87/95/09/562879509.db2.gz WJCDPSXSRUTOPO-NRFANRHFSA-N 1 2 652.743 1.695 1 0 KDAFLO NS(=O)(=O)CCNC(=O)[C@@H](c1nc2ccc(-c3cnn(CC[NH+]4CCOCC4)c3)cc2s1)S(=O)(=O)CCCC(F)(F)F ZINC000222075847 562879508 /nfs/dbraw/zinc/87/95/08/562879508.db2.gz WJCDPSXSRUTOPO-NRFANRHFSA-N 1 2 652.743 1.695 1 0 KDAFLO NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3cnn(CC[NH+]4CCOCC4)c3)cc2s1)S(=O)(=O)CCC(F)(F)F ZINC000222116376 562879668 /nfs/dbraw/zinc/87/96/68/562879668.db2.gz HJCGQBVQGPMTMH-HXUWFJFHSA-N 1 2 638.716 1.305 1 0 KDAFLO NS(=O)(=O)CCNC(=O)[C@H](c1nc2ccc(-c3cnn(CC[NH+]4CCOCC4)c3)cc2s1)S(=O)(=O)CCC(F)(F)F ZINC000222116376 562879667 /nfs/dbraw/zinc/87/96/67/562879667.db2.gz HJCGQBVQGPMTMH-HXUWFJFHSA-N 1 2 638.716 1.305 1 0 KDAFLO NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3cnn(CC[NH+]4CCOCC4)c3)cc2s1)S(=O)(=O)CCC(F)(F)F ZINC000222116428 562879655 /nfs/dbraw/zinc/87/96/55/562879655.db2.gz HJCGQBVQGPMTMH-FQEVSTJZSA-N 1 2 638.716 1.305 1 0 KDAFLO NS(=O)(=O)CCNC(=O)[C@@H](c1nc2ccc(-c3cnn(CC[NH+]4CCOCC4)c3)cc2s1)S(=O)(=O)CCC(F)(F)F ZINC000222116428 562879654 /nfs/dbraw/zinc/87/96/54/562879654.db2.gz HJCGQBVQGPMTMH-FQEVSTJZSA-N 1 2 638.716 1.305 1 0 KDAFLO COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21 ZINC000253632556 562881985 /nfs/dbraw/zinc/88/19/85/562881985.db2.gz HZGNFWNTVQBRHK-CGQUYWBPSA-N 1 2 621.735 1.763 1 0 KDAFLO COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21 ZINC000253632556 562881984 /nfs/dbraw/zinc/88/19/84/562881984.db2.gz HZGNFWNTVQBRHK-CGQUYWBPSA-N 1 2 621.735 1.763 1 0 KDAFLO COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21 ZINC000253632854 562882015 /nfs/dbraw/zinc/88/20/15/562882015.db2.gz HZGNFWNTVQBRHK-QZZOCWIMSA-N 1 2 621.735 1.763 1 0 KDAFLO COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21 ZINC000253632854 562882014 /nfs/dbraw/zinc/88/20/14/562882014.db2.gz HZGNFWNTVQBRHK-QZZOCWIMSA-N 1 2 621.735 1.763 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@@H](C(C)C)[C@H](O)[C@H](O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)COc1ccccc1)C(=O)NCc1ccccn1 ZINC000299830202 562885124 /nfs/dbraw/zinc/88/51/24/562885124.db2.gz XDZSTXSEHUPGAN-CSUMDRSESA-N 1 2 608.740 1.752 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@@H](C(C)C)[C@H](O)[C@H](O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)COc1ccccc1)C(=O)NCc1ccccn1 ZINC000299830202 562885123 /nfs/dbraw/zinc/88/51/23/562885123.db2.gz XDZSTXSEHUPGAN-CSUMDRSESA-N 1 2 608.740 1.752 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@@H](C(C)C)[C@H](O)[C@@H](O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)COc1ccccc1)C(=O)NCc1ccccn1 ZINC000299830206 562885139 /nfs/dbraw/zinc/88/51/39/562885139.db2.gz XDZSTXSEHUPGAN-JCHFQAAWSA-N 1 2 608.740 1.752 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@@H](C(C)C)[C@H](O)[C@@H](O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)COc1ccccc1)C(=O)NCc1ccccn1 ZINC000299830206 562885138 /nfs/dbraw/zinc/88/51/38/562885138.db2.gz XDZSTXSEHUPGAN-JCHFQAAWSA-N 1 2 608.740 1.752 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@@H](C(C)C)[C@@H](O)[C@@H](O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)COc1ccccc1)C(=O)NCc1ccccn1 ZINC000299830208 562885135 /nfs/dbraw/zinc/88/51/35/562885135.db2.gz XDZSTXSEHUPGAN-RYQXXRBASA-N 1 2 608.740 1.752 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@@H](C(C)C)[C@@H](O)[C@@H](O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)COc1ccccc1)C(=O)NCc1ccccn1 ZINC000299830208 562885134 /nfs/dbraw/zinc/88/51/34/562885134.db2.gz XDZSTXSEHUPGAN-RYQXXRBASA-N 1 2 608.740 1.752 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@@H](C(C)C)[C@@H](O)[C@H](O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)COc1ccccc1)C(=O)NCc1ccccn1 ZINC000299830210 562885154 /nfs/dbraw/zinc/88/51/54/562885154.db2.gz XDZSTXSEHUPGAN-VVVZOEKMSA-N 1 2 608.740 1.752 1 0 KDAFLO CC[C@H](C)[C@H](NC(=O)[C@@H](C(C)C)[C@@H](O)[C@H](O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)COc1ccccc1)C(=O)NCc1ccccn1 ZINC000299830210 562885153 /nfs/dbraw/zinc/88/51/53/562885153.db2.gz XDZSTXSEHUPGAN-VVVZOEKMSA-N 1 2 608.740 1.752 1 0 KDAFLO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000299834874 562886605 /nfs/dbraw/zinc/88/66/05/562886605.db2.gz ZVPLUGZIAFPKQJ-JNRWAQIZSA-N 1 2 754.930 1.381 1 0 KDAFLO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000299834874 562886604 /nfs/dbraw/zinc/88/66/04/562886604.db2.gz ZVPLUGZIAFPKQJ-JNRWAQIZSA-N 1 2 754.930 1.381 1 0 KDAFLO NC(=O)C1([NH2+][C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1 ZINC000299854249 562891300 /nfs/dbraw/zinc/89/13/00/562891300.db2.gz WSMPIMHVJVXWPW-RKCWLVDCSA-N 1 2 614.490 1.642 1 0 KDAFLO NC(=O)C1([NH2+][C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1 ZINC000299854250 562891331 /nfs/dbraw/zinc/89/13/31/562891331.db2.gz WSMPIMHVJVXWPW-XTOGBABISA-N 1 2 614.490 1.642 1 0 KDAFLO COc1cc(C(N)=O)cc(-c2nc3cc(OCC[NH+]4CCOCC4)c(OC)cc3c(N3CCOCC3)n2)c1 ZINC000299866338 562894635 /nfs/dbraw/zinc/89/46/35/562894635.db2.gz VSEVUGNIIIOFQT-UHFFFAOYSA-N 1 2 523.590 1.961 1 0 KDAFLO COC(=O)CC[C@@H](NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12)C(=O)OC ZINC000473113906 562898876 /nfs/dbraw/zinc/89/88/76/562898876.db2.gz HUQKHTMNNVJCEH-DNQXCXABSA-N 1 2 637.671 1.431 1 0 KDAFLO COC(=O)CC[C@@H](NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12)C(=O)OC ZINC000473113906 562898875 /nfs/dbraw/zinc/89/88/75/562898875.db2.gz HUQKHTMNNVJCEH-DNQXCXABSA-N 1 2 637.671 1.431 1 0 KDAFLO COC(=O)CC[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12)C(=O)OC ZINC000473113914 562898891 /nfs/dbraw/zinc/89/88/91/562898891.db2.gz HUQKHTMNNVJCEH-ZEQRLZLVSA-N 1 2 637.671 1.431 1 0 KDAFLO COC(=O)CC[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12)C(=O)OC ZINC000473113914 562898890 /nfs/dbraw/zinc/89/88/90/562898890.db2.gz HUQKHTMNNVJCEH-ZEQRLZLVSA-N 1 2 637.671 1.431 1 0 KDAFLO CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000473131877 562900185 /nfs/dbraw/zinc/90/01/85/562900185.db2.gz PTQOZTZTQUKUFX-UHFFFAOYSA-N 1 2 655.807 1.457 1 0 KDAFLO CC(=O)SCC/C=C/[C@@H]1CC(=O)N[C@H](C(C)C)C(=O)N[C@H](Cc2cn(C)c[nH+]2)C(=O)N[C@H](C(C)C)c2cn(nn2)CC(=O)O1 ZINC000473148690 562901483 /nfs/dbraw/zinc/90/14/83/562901483.db2.gz GZYIORBXSPEZLZ-HOJQFYOHSA-N 1 2 630.772 1.235 1 0 KDAFLO Cc1c2c(ccc1[C@@H]1C[N@H+]3CCN(C(=O)[C@@H]4CCc5nc(-n6cnnn6)ccc54)C[C@H]3CCO1)C(=O)OC2 ZINC000473179397 562903376 /nfs/dbraw/zinc/90/33/76/562903376.db2.gz JSPLQWFEUZGCGU-PWAGRJGVSA-N 1 2 515.574 1.740 1 0 KDAFLO Cc1c2c(ccc1[C@@H]1C[N@@H+]3CCN(C(=O)[C@@H]4CCc5nc(-n6cnnn6)ccc54)C[C@H]3CCO1)C(=O)OC2 ZINC000473179397 562903375 /nfs/dbraw/zinc/90/33/75/562903375.db2.gz JSPLQWFEUZGCGU-PWAGRJGVSA-N 1 2 515.574 1.740 1 0 KDAFLO Cc1c2c(ccc1[C@@H]1C[N@H+]3CCN(C(=O)[C@H]4CCc5nc(-n6cnnn6)ccc54)C[C@@H]3CCO1)C(=O)OC2 ZINC000473179398 562903367 /nfs/dbraw/zinc/90/33/67/562903367.db2.gz JSPLQWFEUZGCGU-REIDKSKDSA-N 1 2 515.574 1.740 1 0 KDAFLO Cc1c2c(ccc1[C@@H]1C[N@@H+]3CCN(C(=O)[C@H]4CCc5nc(-n6cnnn6)ccc54)C[C@@H]3CCO1)C(=O)OC2 ZINC000473179398 562903366 /nfs/dbraw/zinc/90/33/66/562903366.db2.gz JSPLQWFEUZGCGU-REIDKSKDSA-N 1 2 515.574 1.740 1 0 KDAFLO Cc1c2c(ccc1[C@@H]1C[N@H+]3CCN(C(=O)[C@H]4CCc5nc(-n6cnnn6)ccc54)C[C@H]3CCO1)C(=O)OC2 ZINC000473179399 562903373 /nfs/dbraw/zinc/90/33/73/562903373.db2.gz JSPLQWFEUZGCGU-YQOVMPOYSA-N 1 2 515.574 1.740 1 0 KDAFLO Cc1c2c(ccc1[C@@H]1C[N@@H+]3CCN(C(=O)[C@H]4CCc5nc(-n6cnnn6)ccc54)C[C@H]3CCO1)C(=O)OC2 ZINC000473179399 562903372 /nfs/dbraw/zinc/90/33/72/562903372.db2.gz JSPLQWFEUZGCGU-YQOVMPOYSA-N 1 2 515.574 1.740 1 0 KDAFLO COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OCCCNC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653689463 562906667 /nfs/dbraw/zinc/90/66/67/562906667.db2.gz ZNVWSOUYDWFMGB-HDICACEKSA-N 1 2 547.620 1.688 1 0 KDAFLO COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OCCCNC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653689463 562906666 /nfs/dbraw/zinc/90/66/66/562906666.db2.gz ZNVWSOUYDWFMGB-HDICACEKSA-N 1 2 547.620 1.688 1 0 KDAFLO CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCO[NH+]=C(N)N)NC(=O)OCc1ccccc1)C(C)C)[C@H](O)CC(=O)NCCc1ccccc1 ZINC000653718374 562908639 /nfs/dbraw/zinc/90/86/39/562908639.db2.gz VAHRPHLZONNTFF-XPMOVWHWSA-N 1 2 669.824 1.868 1 0 KDAFLO O=C(Nc1snnc1C(=O)N1CCN(c2cccc[nH+]2)CC1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000033435763 553960123 /nfs/dbraw/zinc/96/01/23/553960123.db2.gz DMUGMMXIFWKMGX-DLBZAZTESA-N 1 2 506.592 1.708 2 0 KDAFLO O=C(Nc1snnc1C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)N1CCN(c2cccc[nH+]2)CC1 ZINC000033436094 553960450 /nfs/dbraw/zinc/96/04/50/553960450.db2.gz CRCGSHDHSHUDAF-DLBZAZTESA-N 1 2 506.592 1.708 2 0 KDAFLO O=C(NCCCN1CCOCC1)c1onc(CSc2ccccc2)c1C(=O)NCCC[NH+]1CCOCC1 ZINC000012477391 561710897 /nfs/dbraw/zinc/71/08/97/561710897.db2.gz ZBTYTFWBLWTATN-UHFFFAOYSA-N 1 2 531.679 1.871 3 0 KDAFLO O=C(CCCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020235714 561758745 /nfs/dbraw/zinc/75/87/45/561758745.db2.gz GMFIZUSSTTYVKT-UHFFFAOYSA-N 1 2 514.604 1.703 3 0 KDAFLO CCn1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000036296040 562055017 /nfs/dbraw/zinc/05/50/17/562055017.db2.gz ZKLBRBBVCYIBOI-SFHVURJKSA-N 1 2 508.670 1.288 3 0 KDAFLO CCn1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000036296045 562054985 /nfs/dbraw/zinc/05/49/85/562054985.db2.gz ZKLBRBBVCYIBOI-GOSISDBHSA-N 1 2 508.670 1.288 3 0 KDAFLO O=C(NCCCN1CCOCC1)c1onc(CSc2nc3ccccc3[nH]2)c1C(=O)NCCC[NH+]1CCOCC1 ZINC000038153741 562067807 /nfs/dbraw/zinc/06/78/07/562067807.db2.gz LIKYMTBVFJDZGK-UHFFFAOYSA-N 1 2 571.704 1.747 3 0 KDAFLO COc1cccc(SCc2noc(C(=O)NCCCN3CCOCC3)c2C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000059889104 562702448 /nfs/dbraw/zinc/70/24/48/562702448.db2.gz QTFAUOZZJGXZSV-UHFFFAOYSA-N 1 2 561.705 1.880 3 0 KDAFLO CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NCC[NH+]2CCOCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000061921713 562703231 /nfs/dbraw/zinc/70/32/31/562703231.db2.gz WFWVTKVTKBWJQT-OAQYLSRUSA-N 1 2 502.587 1.146 3 0 KDAFLO CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NCC[NH+]2CCOCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000061921715 562703225 /nfs/dbraw/zinc/70/32/25/562703225.db2.gz WFWVTKVTKBWJQT-NRFANRHFSA-N 1 2 502.587 1.146 3 0 KDAFLO CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NCC[NH+]2CCOCC2)C(=O)N1CCC1=CCCCC1 ZINC000061921881 562703266 /nfs/dbraw/zinc/70/32/66/562703266.db2.gz VEWIHYXJKASVLJ-HSZRJFAPSA-N 1 2 502.656 1.697 3 0 KDAFLO CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NCC[NH+]2CCOCC2)C(=O)N1CCC1=CCCCC1 ZINC000061921882 562703239 /nfs/dbraw/zinc/70/32/39/562703239.db2.gz VEWIHYXJKASVLJ-QHCPKHFHSA-N 1 2 502.656 1.697 3 0 KDAFLO COc1ccc(CN2C(=O)[C@@H](CC(=O)NCC[NH+]3CCOCC3)CC(C(=O)N3CCOCC3)=C2C)cc1 ZINC000061921954 562703277 /nfs/dbraw/zinc/70/32/77/562703277.db2.gz YUQKBACRGWLZCW-JOCHJYFZSA-N 1 2 514.623 1.015 3 0 KDAFLO COc1ccc(CN2C(=O)[C@H](CC(=O)NCC[NH+]3CCOCC3)CC(C(=O)N3CCOCC3)=C2C)cc1 ZINC000061921955 562703303 /nfs/dbraw/zinc/70/33/03/562703303.db2.gz YUQKBACRGWLZCW-QFIPXVFZSA-N 1 2 514.623 1.015 3 0 KDAFLO C[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@H](CC(=O)NCC[NH+]1CCOCC1)C[C@@H]2C(=O)N1CCOCC1 ZINC000061946990 562704024 /nfs/dbraw/zinc/70/40/24/562704024.db2.gz COVRGXUOZLIKAX-MMOLPGFLSA-N 1 2 537.661 1.101 3 0 KDAFLO C[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@@H](CC(=O)NCC[NH+]1CCOCC1)C[C@@H]2C(=O)N1CCOCC1 ZINC000061946991 562704022 /nfs/dbraw/zinc/70/40/22/562704022.db2.gz COVRGXUOZLIKAX-XCSROIPSSA-N 1 2 537.661 1.101 3 0 KDAFLO C[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCC[NH+]1CCOCC1)C[C@@H]2C(=O)N1CCOCC1 ZINC000066138188 562713250 /nfs/dbraw/zinc/71/32/50/562713250.db2.gz ZYGAQEAAXFXUKP-CERFGUIQSA-N 1 2 572.106 1.755 3 0 KDAFLO C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2cc[nH+]c(N3CCOCC3)c2)OCc2cn(nn2)CCCC1=O ZINC000072103200 562720360 /nfs/dbraw/zinc/72/03/60/562720360.db2.gz PUSZFNDBKFADMS-VIZSFHNOSA-N 1 2 544.657 1.198 3 0 KDAFLO C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2cc[nH+]c(N3CCOCC3)c2)OCc2cnnn2CCCC1=O ZINC000072104543 562720513 /nfs/dbraw/zinc/72/05/13/562720513.db2.gz RIHXBZGHHXCGPP-SXWKCWPCSA-N 1 2 544.657 1.198 3 0 KDAFLO CN(C)C(=O)CCc1ccc2c(c1)[nH]c1c2CCN2C(=O)[C@@H](CC(=O)NCC[NH+]3CCOCC3)C[C@H](C(=O)N3CCOCC3)[C@@]12C ZINC000072134843 562727324 /nfs/dbraw/zinc/72/73/24/562727324.db2.gz SYMYMPYALLBPPV-NGCWJHASSA-N 1 2 636.794 1.122 3 0 KDAFLO COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCC[NH+]2CCOCC2)C[C@H](C(=O)N2CCOCC2)[C@@]31C ZINC000072136110 562727732 /nfs/dbraw/zinc/72/77/32/562727732.db2.gz REPXQOBTQDPCRR-AJUGZHKCSA-N 1 2 567.687 1.110 3 0 KDAFLO COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCC[NH+]2CCOCC2)C[C@H](C(=O)N2CCOCC2)[C@@]31C ZINC000072136111 562727755 /nfs/dbraw/zinc/72/77/55/562727755.db2.gz REPXQOBTQDPCRR-VNOSDSGASA-N 1 2 567.687 1.110 3 0 KDAFLO CC[C@]12c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCC[NH+]1CCOCC1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072138224 562728692 /nfs/dbraw/zinc/72/86/92/562728692.db2.gz MRWHPPJCLNOZAE-OTGNDCNZSA-N 1 2 717.912 1.734 3 0 KDAFLO COC(=O)C1CC[NH+]([C@@H]2CN(Cc3cn(Cc4ccc(C(F)(F)F)cc4)nn3)S(=O)(=O)C2)CC1 ZINC000072139967 562729144 /nfs/dbraw/zinc/72/91/44/562729144.db2.gz JSMVBJKYZYPKFW-LJQANCHMSA-N 1 2 501.531 1.744 3 0 KDAFLO COC(=O)C1CC[NH+]([C@H]2CN(Cc3cn(Cc4ccc(C(F)(F)F)cc4)nn3)S(=O)(=O)C2)CC1 ZINC000072139968 562729146 /nfs/dbraw/zinc/72/91/46/562729146.db2.gz JSMVBJKYZYPKFW-IBGZPJMESA-N 1 2 501.531 1.744 3 0 KDAFLO CC(C)C[C@@H](C[NH2+]CC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1nc[nH]c1C(=O)N[C@@H](C)C[NH3+])NC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095547847 562758919 /nfs/dbraw/zinc/75/89/19/562758919.db2.gz LFACLBSJMXZCDB-LCKUPXPRSA-N 1 2 795.902 1.461 3 0 KDAFLO CC(C)C[C@@H](C[NH2+]CC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1nc[nH]c1C(=O)N[C@@H](C)C[NH3+])NC(=O)c1[nH]cnc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095547847 562758918 /nfs/dbraw/zinc/75/89/18/562758918.db2.gz LFACLBSJMXZCDB-LCKUPXPRSA-N 1 2 795.902 1.461 3 0 KDAFLO CC(C)C[C@@H](C[NH2+]CC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1[nH]cnc1C(=O)N[C@@H](C)C[NH3+])NC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095547847 562758917 /nfs/dbraw/zinc/75/89/17/562758917.db2.gz LFACLBSJMXZCDB-LCKUPXPRSA-N 1 2 795.902 1.461 3 0 KDAFLO CC(C)C[C@@H](C[NH2+]CC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1[nH]cnc1C(=O)N[C@@H](C)C[NH3+])NC(=O)c1[nH]cnc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095547847 562758916 /nfs/dbraw/zinc/75/89/16/562758916.db2.gz LFACLBSJMXZCDB-LCKUPXPRSA-N 1 2 795.902 1.461 3 0 KDAFLO CC(C)C[C@@H](C[NH3+])NC(=O)c1[nH]cnc1C(=O)N[C@@H](CC(C)C)C(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)c1[nH]cnc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095548708 562759422 /nfs/dbraw/zinc/75/94/22/562759422.db2.gz RQBIEADJDSZQCC-LJWNLINESA-N 1 2 764.929 1.810 3 0 KDAFLO CC(C)C[C@@H](C[NH3+])NC(=O)c1nc[nH]c1C(=O)N[C@@H](CC(C)C)C(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)c1[nH]cnc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095548708 562759421 /nfs/dbraw/zinc/75/94/21/562759421.db2.gz RQBIEADJDSZQCC-LJWNLINESA-N 1 2 764.929 1.810 3 0 KDAFLO CC(C)C[C@@H](C[NH3+])NC(=O)c1[nH]cnc1C(=O)N[C@@H](CC(C)C)C(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095548708 562759420 /nfs/dbraw/zinc/75/94/20/562759420.db2.gz RQBIEADJDSZQCC-LJWNLINESA-N 1 2 764.929 1.810 3 0 KDAFLO CC(C)C[C@@H](C[NH3+])NC(=O)c1nc[nH]c1C(=O)N[C@@H](CC(C)C)C(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095548708 562759419 /nfs/dbraw/zinc/75/94/19/562759419.db2.gz RQBIEADJDSZQCC-LJWNLINESA-N 1 2 764.929 1.810 3 0 KDAFLO C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2cc[nH+]c(N3CCOCC3)c2)OCc2cnnn2CCCC1=O ZINC000095567835 562766124 /nfs/dbraw/zinc/76/61/24/562766124.db2.gz RIHXBZGHHXCGPP-JTAQYXEDSA-N 1 2 544.657 1.198 3 0 KDAFLO C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2cc[nH+]c(N3CCOCC3)c2)OCc2cnnn2CCCC1=O ZINC000095569291 562767356 /nfs/dbraw/zinc/76/73/56/562767356.db2.gz RIHXBZGHHXCGPP-MZKRTTBSSA-N 1 2 544.657 1.198 3 0 KDAFLO C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2cc[nH+]c(N3CCOCC3)c2)OCc2cnnn2CCCC1=O ZINC000095569674 562767589 /nfs/dbraw/zinc/76/75/89/562767589.db2.gz RIHXBZGHHXCGPP-TXTKFYIRSA-N 1 2 544.657 1.198 3 0 KDAFLO C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2cc[nH+]c(N3CCOCC3)c2)OCc2cn(nn2)CCCC1=O ZINC000095570891 562768644 /nfs/dbraw/zinc/76/86/44/562768644.db2.gz PUSZFNDBKFADMS-SXWKCWPCSA-N 1 2 544.657 1.198 3 0 KDAFLO COc1ccc(Cn2cc(CN3C[C@H](N4CC[NH+](Cc5ccccc5F)CC4)CS3(=O)=O)nn2)cc1 ZINC000095599905 562778438 /nfs/dbraw/zinc/77/84/38/562778438.db2.gz SXAKMZQCELOQMF-QHCPKHFHSA-N 1 2 514.627 1.806 3 0 KDAFLO COc1ccc(Cn2cc(CN3C[C@@H](N4CC[NH+](Cc5ccccc5F)CC4)CS3(=O)=O)nn2)cc1 ZINC000095599906 562778471 /nfs/dbraw/zinc/77/84/71/562778471.db2.gz SXAKMZQCELOQMF-HSZRJFAPSA-N 1 2 514.627 1.806 3 0 KDAFLO O=S1(=O)C[C@H](N2CC[NH+](Cc3ccccc3F)CC2)CN1Cc1cn(Cc2ccc(F)cc2)nn1 ZINC000095600420 562778863 /nfs/dbraw/zinc/77/88/63/562778863.db2.gz MGONPGKKJJBFTD-HSZRJFAPSA-N 1 2 502.591 1.936 3 0 KDAFLO O=S1(=O)C[C@@H](N2CC[NH+](Cc3ccccc3F)CC2)CN1Cc1cn(Cc2ccc(F)cc2)nn1 ZINC000095600421 562778843 /nfs/dbraw/zinc/77/88/43/562778843.db2.gz MGONPGKKJJBFTD-QHCPKHFHSA-N 1 2 502.591 1.936 3 0 KDAFLO C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2cc[nH+]c(N3CCOCC3)c2)OCc2cnnn2CCCC1=O ZINC000095600913 562779304 /nfs/dbraw/zinc/77/93/04/562779304.db2.gz RIHXBZGHHXCGPP-ZRCGQRJVSA-N 1 2 544.657 1.198 3 0 KDAFLO C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2cc[nH+]c(N3CCOCC3)c2)OCc2cnnn2CCCC1=O ZINC000095604645 562781170 /nfs/dbraw/zinc/78/11/70/562781170.db2.gz RIHXBZGHHXCGPP-MIZPHKNDSA-N 1 2 544.657 1.198 3 0 KDAFLO