smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](C)[C@H]1C[NH+]2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c65)C[C@@H]4[N@H+](C)C3)(C(C)C)C(=O)N12 ZINC000004212849 552449468 /nfs/dbraw/zinc/44/94/68/552449468.db2.gz OPAVODIYXVLOOM-XAOZLXPPSA-N 2 1 563.743 2.994 40 0 in-man KFABMP CC[C@H](C)[C@H]1C[N@H+]2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c65)C[C@@H]4[NH+](C)C3)(C(C)C)C(=O)N12 ZINC000004212849 552449464 /nfs/dbraw/zinc/44/94/64/552449464.db2.gz OPAVODIYXVLOOM-XAOZLXPPSA-N 2 1 563.743 2.994 40 0 in-man KFABMP CC[NH+](CC)CCCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000006193060 552564833 /nfs/dbraw/zinc/56/48/33/552564833.db2.gz XDHAZLGGKUUWKN-UHFFFAOYSA-N 2 1 503.713 2.667 40 0 KFABMP CCOc1ccc2[nH]c(=O)c(CN(CC[NH+](CC)CC)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000006193361 552565400 /nfs/dbraw/zinc/56/54/00/552565400.db2.gz GHEBWNIGCMXDFC-UHFFFAOYSA-N 2 1 503.713 2.667 40 0 KFABMP COc1ccccc1N1CCN(C(=O)[C@H]2C[N@H+]3CC[C@@H]2C[C@@H]3Cn2cc(CN(C)Cc3ccccc3)nn2)CC1 ZINC000008254027 1059004349 /nfs/dbraw/zinc/00/43/49/1059004349.db2.gz HNWHIKFOCPGCJE-KZQOYIJHSA-N 2 1 543.716 2.978 40 0 biogenic,in-vitro KFABMP CC[NH+](CC)CCCN(Cc1cc2ccc(OC)cc2[nH]c1=O)C(=S)NCCC[NH+]1CCOCC1 ZINC000020081503 553680685 /nfs/dbraw/zinc/68/06/85/553680685.db2.gz INRAACOJPFVCSI-UHFFFAOYSA-N 2 1 503.713 2.667 40 0 KFABMP CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5cc([C@]6(C(=O)OC)C[C@@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@](O)(C(N)=O)[C@@H]1O)[C@@H]32 ZINC000247964878 572250772 /nfs/dbraw/zinc/25/07/72/572250772.db2.gz HHJUWIANJFBDHT-FTJZLSAJSA-N 2 1 753.941 2.732 40 0 KFABMP CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc([C@]6(C(=O)OC)C[C@@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@](O)(C(N)=O)[C@@H]1O)[C@@H]32 ZINC000247964878 572250771 /nfs/dbraw/zinc/25/07/71/572250771.db2.gz HHJUWIANJFBDHT-FTJZLSAJSA-N 2 1 753.941 2.732 40 0 KFABMP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@]6(C(=O)OC)C[C@@H]7C[N@@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@](O)(C(N)=O)[C@@H]1O)[C@@H]32 ZINC000247964878 572250768 /nfs/dbraw/zinc/25/07/68/572250768.db2.gz HHJUWIANJFBDHT-FTJZLSAJSA-N 2 1 753.941 2.732 40 0 KFABMP CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5cc([C@]6(C(=O)OC)C[C@@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@](O)(C(N)=O)[C@@H]1O)[C@H]32 ZINC000247964884 572250996 /nfs/dbraw/zinc/25/09/96/572250996.db2.gz HHJUWIANJFBDHT-NYANLSPTSA-N 2 1 753.941 2.732 40 0 KFABMP CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc([C@]6(C(=O)OC)C[C@@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@](O)(C(N)=O)[C@@H]1O)[C@H]32 ZINC000247964884 572250995 /nfs/dbraw/zinc/25/09/95/572250995.db2.gz HHJUWIANJFBDHT-NYANLSPTSA-N 2 1 753.941 2.732 40 0 KFABMP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@]6(C(=O)OC)C[C@@H]7C[N@@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@](O)(C(N)=O)[C@@H]1O)[C@H]32 ZINC000247964884 572250994 /nfs/dbraw/zinc/25/09/94/572250994.db2.gz HHJUWIANJFBDHT-NYANLSPTSA-N 2 1 753.941 2.732 40 0 KFABMP CC[C@]12C=CC[N@@H+]3CC[C@]4(c5cc([C@]6(C(=O)OC)C[C@@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@](O)(C(N)=O)[C@@H]1O)[C@H]32 ZINC000247964887 572250853 /nfs/dbraw/zinc/25/08/53/572250853.db2.gz HHJUWIANJFBDHT-UUDYVIQPSA-N 2 1 753.941 2.732 40 0 KFABMP CC[C@]12C=CC[N@H+]3CC[C@]4(c5cc([C@]6(C(=O)OC)C[C@@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@](O)(C(N)=O)[C@@H]1O)[C@H]32 ZINC000247964887 572250851 /nfs/dbraw/zinc/25/08/51/572250851.db2.gz HHJUWIANJFBDHT-UUDYVIQPSA-N 2 1 753.941 2.732 40 0 KFABMP CC[C@]12C=CC[NH+]3CC[C@]4(c5cc([C@]6(C(=O)OC)C[C@@H]7C[N@@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@](O)(C(N)=O)[C@@H]1O)[C@H]32 ZINC000247964887 572250848 /nfs/dbraw/zinc/25/08/48/572250848.db2.gz HHJUWIANJFBDHT-UUDYVIQPSA-N 2 1 753.941 2.732 40 0 KFABMP CC[C@]12C=CC[N@@H+]3CC[C@]4(c5cc([C@]6(C(=O)OC)C[C@@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@](O)(C(N)=O)[C@@H]1O)[C@@H]32 ZINC000247964890 572250937 /nfs/dbraw/zinc/25/09/37/572250937.db2.gz HHJUWIANJFBDHT-ZGRBKZOZSA-N 2 1 753.941 2.732 40 0 KFABMP CC[C@]12C=CC[N@H+]3CC[C@]4(c5cc([C@]6(C(=O)OC)C[C@@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@](O)(C(N)=O)[C@@H]1O)[C@@H]32 ZINC000247964890 572250934 /nfs/dbraw/zinc/25/09/34/572250934.db2.gz HHJUWIANJFBDHT-ZGRBKZOZSA-N 2 1 753.941 2.732 40 0 KFABMP CC[C@]12C=CC[NH+]3CC[C@]4(c5cc([C@]6(C(=O)OC)C[C@@H]7C[N@@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@](O)(C(N)=O)[C@@H]1O)[C@@H]32 ZINC000247964890 572250932 /nfs/dbraw/zinc/25/09/32/572250932.db2.gz HHJUWIANJFBDHT-ZGRBKZOZSA-N 2 1 753.941 2.732 40 0 KFABMP CC(=O)N1CCC([N@H+]2Cc3ccccc3OC/C=C\[C@H]3CN(CC[C@H]3CC(=O)NCC[NH+]3CCCC3)C(=O)C2)CC1 ZINC000253398827 572284489 /nfs/dbraw/zinc/28/44/89/572284489.db2.gz HPMNMDLBEUOIAK-YINQGCILSA-N 2 1 565.759 2.515 40 0 KFABMP CC(=O)N1CCC([N@@H+]2Cc3ccccc3OC/C=C\[C@H]3CN(CC[C@H]3CC(=O)NCC[NH+]3CCCC3)C(=O)C2)CC1 ZINC000253398827 572284487 /nfs/dbraw/zinc/28/44/87/572284487.db2.gz HPMNMDLBEUOIAK-YINQGCILSA-N 2 1 565.759 2.515 40 0 KFABMP O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](C1CCOCC1)CC2=O)NCC[NH+]1CCCC1 ZINC000253408912 572287056 /nfs/dbraw/zinc/28/70/56/572287056.db2.gz YYFIXUKSAGDLGF-OXOOYNAKSA-N 2 1 524.706 2.683 40 0 KFABMP C[NH+](C)CCOc1cccc(CN2CCO[C@](COc3ccc(F)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257299983 572315825 /nfs/dbraw/zinc/31/58/25/572315825.db2.gz RSKNICMYRGPCBV-GDLZYMKVSA-N 2 1 528.669 2.580 40 0 KFABMP C[NH+](C)CCOc1cccc(CN2CCO[C@@](COc3ccc(F)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257299984 572315715 /nfs/dbraw/zinc/31/57/15/572315715.db2.gz RSKNICMYRGPCBV-LJAQVGFWSA-N 2 1 528.669 2.580 40 0 KFABMP CC(C)[N@@H+](CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@H](n2ccc3c2nc[nH+]c3N)[C@H](O)[C@@H]1O ZINC000261184439 572102969 /nfs/dbraw/zinc/10/29/69/572102969.db2.gz WXRGFPHDRFQODR-JTKRFKOTSA-N 2 1 539.681 2.852 40 0 in-vitro KFABMP CC(C)[N@H+](CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@H](n2ccc3c2nc[nH+]c3N)[C@H](O)[C@@H]1O ZINC000261184439 572102964 /nfs/dbraw/zinc/10/29/64/572102964.db2.gz WXRGFPHDRFQODR-JTKRFKOTSA-N 2 1 539.681 2.852 40 0 in-vitro KFABMP CC(C)[N@@H+](CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@H](n2ccc3c2nc[nH+]c3N)[C@@H](O)[C@H]1O ZINC000301055156 572143129 /nfs/dbraw/zinc/14/31/29/572143129.db2.gz WXRGFPHDRFQODR-HZLPDVBGSA-N 2 1 539.681 2.852 40 0 KFABMP CC(C)[N@H+](CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@H](n2ccc3c2nc[nH+]c3N)[C@@H](O)[C@H]1O ZINC000301055156 572143126 /nfs/dbraw/zinc/14/31/26/572143126.db2.gz WXRGFPHDRFQODR-HZLPDVBGSA-N 2 1 539.681 2.852 40 0 KFABMP CC(C)[N@@H+](CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@H](n2ccc3c2nc[nH+]c3N)[C@@H](O)[C@@H]1O ZINC000301055157 572143171 /nfs/dbraw/zinc/14/31/71/572143171.db2.gz WXRGFPHDRFQODR-LNEBKTTKSA-N 2 1 539.681 2.852 40 0 KFABMP CC(C)[N@H+](CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@H](n2ccc3c2nc[nH+]c3N)[C@@H](O)[C@@H]1O ZINC000301055157 572143168 /nfs/dbraw/zinc/14/31/68/572143168.db2.gz WXRGFPHDRFQODR-LNEBKTTKSA-N 2 1 539.681 2.852 40 0 KFABMP CC(C)[N@@H+](CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@H](n2ccc3c2nc[nH+]c3N)[C@H](O)[C@H]1O ZINC000301055158 572143244 /nfs/dbraw/zinc/14/32/44/572143244.db2.gz WXRGFPHDRFQODR-WOLJRWFJSA-N 2 1 539.681 2.852 40 0 in-vitro KFABMP CC(C)[N@H+](CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@H](n2ccc3c2nc[nH+]c3N)[C@H](O)[C@H]1O ZINC000301055158 572143241 /nfs/dbraw/zinc/14/32/41/572143241.db2.gz WXRGFPHDRFQODR-WOLJRWFJSA-N 2 1 539.681 2.852 40 0 in-vitro KFABMP COc1cc(C[N@@H+](C)C[C@]2(O)CCN(c3cc(N(C)C)ncn3)C2)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585272113 1059058643 /nfs/dbraw/zinc/05/86/43/1059058643.db2.gz JANNHPVETMVPKM-MUUNZHRXSA-N 2 1 512.699 2.735 40 0 KFABMP COc1cc(C[N@@H+](C)C[C@@]2(O)CCN(c3cc(N(C)C)ncn3)C2)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585272128 1059058512 /nfs/dbraw/zinc/05/85/12/1059058512.db2.gz JANNHPVETMVPKM-NDEPHWFRSA-N 2 1 512.699 2.735 40 0 KFABMP COCC(=O)N1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585273355 1059060163 /nfs/dbraw/zinc/06/01/63/1059060163.db2.gz CJXWKMVULXJMPR-MUUNZHRXSA-N 2 1 533.616 2.540 40 0 KFABMP COCC(=O)N1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585273355 1059060146 /nfs/dbraw/zinc/06/01/46/1059060146.db2.gz CJXWKMVULXJMPR-MUUNZHRXSA-N 2 1 533.616 2.540 40 0 KFABMP COCC(=O)N1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585273356 1059060336 /nfs/dbraw/zinc/06/03/36/1059060336.db2.gz CJXWKMVULXJMPR-NDEPHWFRSA-N 2 1 533.616 2.540 40 0 KFABMP COCC(=O)N1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585273356 1059060316 /nfs/dbraw/zinc/06/03/16/1059060316.db2.gz CJXWKMVULXJMPR-NDEPHWFRSA-N 2 1 533.616 2.540 40 0 KFABMP COc1cc(C[N@H+]2CCC[C@H]3OC[C@@H](NC(C)=O)[C@](C)(O)C[C@H]32)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585274441 1059057311 /nfs/dbraw/zinc/05/73/11/1059057311.db2.gz WRLQXGXDCBHGGX-NFFAYCCRSA-N 2 1 503.684 2.815 40 0 KFABMP COCC(=O)N1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@](O)(COc2ccc(F)cc2)C1 ZINC000585274518 1059055264 /nfs/dbraw/zinc/05/52/64/1059055264.db2.gz ZNUAYMWTSRHFKV-GDLZYMKVSA-N 2 1 529.653 2.791 40 0 KFABMP COCC(=O)N1CC[N@H+](Cc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@](O)(COc2ccc(F)cc2)C1 ZINC000585274518 1059055243 /nfs/dbraw/zinc/05/52/43/1059055243.db2.gz ZNUAYMWTSRHFKV-GDLZYMKVSA-N 2 1 529.653 2.791 40 0 KFABMP COCC(=O)N1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585274519 1059055670 /nfs/dbraw/zinc/05/56/70/1059055670.db2.gz ZNUAYMWTSRHFKV-LJAQVGFWSA-N 2 1 529.653 2.791 40 0 KFABMP COCC(=O)N1CC[N@H+](Cc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585274519 1059055651 /nfs/dbraw/zinc/05/56/51/1059055651.db2.gz ZNUAYMWTSRHFKV-LJAQVGFWSA-N 2 1 529.653 2.791 40 0 KFABMP COCC(=O)N1CCN(Cc2cccc(OCCn3cc[nH+]c3C)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585274791 1059053703 /nfs/dbraw/zinc/05/37/03/1059053703.db2.gz OAYGILOYTUEEAV-GDLZYMKVSA-N 2 1 522.646 2.680 40 0 KFABMP COCC(=O)N1CCN(Cc2cccc(OCCn3cc[nH+]c3C)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585274792 1059053770 /nfs/dbraw/zinc/05/37/70/1059053770.db2.gz OAYGILOYTUEEAV-LJAQVGFWSA-N 2 1 522.646 2.680 40 0 KFABMP CCc1[nH+]ccn1CCOc1ccc(CN2CCN(C(=O)COC)C[C@](O)(COc3ccc(F)c(F)c3)C2)cc1OC ZINC000585274827 1059054102 /nfs/dbraw/zinc/05/41/02/1059054102.db2.gz OXMGMAXUXAFGGY-PMERELPUSA-N 2 1 588.652 2.912 40 0 KFABMP COCC(=O)N1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585274883 1059054603 /nfs/dbraw/zinc/05/46/03/1059054603.db2.gz QJSRTJDNXFYJRN-GDLZYMKVSA-N 2 1 547.643 2.930 40 0 KFABMP COCC(=O)N1CC[N@H+](Cc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585274883 1059054581 /nfs/dbraw/zinc/05/45/81/1059054581.db2.gz QJSRTJDNXFYJRN-GDLZYMKVSA-N 2 1 547.643 2.930 40 0 KFABMP COCC(=O)N1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585274884 1059054933 /nfs/dbraw/zinc/05/49/33/1059054933.db2.gz QJSRTJDNXFYJRN-LJAQVGFWSA-N 2 1 547.643 2.930 40 0 KFABMP COCC(=O)N1CC[N@H+](Cc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585274884 1059054913 /nfs/dbraw/zinc/05/49/13/1059054913.db2.gz QJSRTJDNXFYJRN-LJAQVGFWSA-N 2 1 547.643 2.930 40 0 KFABMP COCC(=O)N1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585275110 1059061275 /nfs/dbraw/zinc/06/12/75/1059061275.db2.gz XASSCYJAVXAXKQ-MUUNZHRXSA-N 2 1 533.616 2.540 40 0 KFABMP COCC(=O)N1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585275110 1059061252 /nfs/dbraw/zinc/06/12/52/1059061252.db2.gz XASSCYJAVXAXKQ-MUUNZHRXSA-N 2 1 533.616 2.540 40 0 KFABMP COCC(=O)N1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585275111 1059060968 /nfs/dbraw/zinc/06/09/68/1059060968.db2.gz XASSCYJAVXAXKQ-NDEPHWFRSA-N 2 1 533.616 2.540 40 0 KFABMP COCC(=O)N1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585275111 1059060943 /nfs/dbraw/zinc/06/09/43/1059060943.db2.gz XASSCYJAVXAXKQ-NDEPHWFRSA-N 2 1 533.616 2.540 40 0 KFABMP COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3cc[nH+]c3C)c2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585275120 1059061165 /nfs/dbraw/zinc/06/11/65/1059061165.db2.gz XMGRITXQSUVOAB-GDLZYMKVSA-N 2 1 574.625 2.658 40 0 KFABMP COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3cc[nH+]c3C)c2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585275121 1059061076 /nfs/dbraw/zinc/06/10/76/1059061076.db2.gz XMGRITXQSUVOAB-LJAQVGFWSA-N 2 1 574.625 2.658 40 0 KFABMP COCC(=O)N1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585275138 1059060842 /nfs/dbraw/zinc/06/08/42/1059060842.db2.gz YEITZDQJQKHEHX-GDLZYMKVSA-N 2 1 547.643 2.930 40 0 KFABMP COCC(=O)N1CC[N@H+](Cc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585275138 1059060825 /nfs/dbraw/zinc/06/08/25/1059060825.db2.gz YEITZDQJQKHEHX-GDLZYMKVSA-N 2 1 547.643 2.930 40 0 KFABMP COCC(=O)N1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585275139 1059062013 /nfs/dbraw/zinc/06/20/13/1059062013.db2.gz YEITZDQJQKHEHX-LJAQVGFWSA-N 2 1 547.643 2.930 40 0 KFABMP COCC(=O)N1CC[N@H+](Cc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585275139 1059061995 /nfs/dbraw/zinc/06/19/95/1059061995.db2.gz YEITZDQJQKHEHX-LJAQVGFWSA-N 2 1 547.643 2.930 40 0 KFABMP COCC(=O)N1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585278781 1059061028 /nfs/dbraw/zinc/06/10/28/1059061028.db2.gz ADFAYVMTNPZEAJ-GDLZYMKVSA-N 2 1 511.663 2.570 40 0 KFABMP COCC(=O)N1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585278781 1059061009 /nfs/dbraw/zinc/06/10/09/1059061009.db2.gz ADFAYVMTNPZEAJ-GDLZYMKVSA-N 2 1 511.663 2.570 40 0 KFABMP COCC(=O)N1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585278785 1059060901 /nfs/dbraw/zinc/06/09/01/1059060901.db2.gz ADFAYVMTNPZEAJ-LJAQVGFWSA-N 2 1 511.663 2.570 40 0 KFABMP COCC(=O)N1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585278785 1059060883 /nfs/dbraw/zinc/06/08/83/1059060883.db2.gz ADFAYVMTNPZEAJ-LJAQVGFWSA-N 2 1 511.663 2.570 40 0 KFABMP COCC(=O)N1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585279724 1059066404 /nfs/dbraw/zinc/06/64/04/1059066404.db2.gz GEKNQMZPRAAHRU-PMERELPUSA-N 2 1 525.690 2.960 40 0 KFABMP COCC(=O)N1CC[N@H+](Cc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585279724 1059066383 /nfs/dbraw/zinc/06/63/83/1059066383.db2.gz GEKNQMZPRAAHRU-PMERELPUSA-N 2 1 525.690 2.960 40 0 KFABMP COCC(=O)N1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585279732 1059067024 /nfs/dbraw/zinc/06/70/24/1059067024.db2.gz GEKNQMZPRAAHRU-SSEXGKCCSA-N 2 1 525.690 2.960 40 0 KFABMP COCC(=O)N1CC[N@H+](Cc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585279732 1059067000 /nfs/dbraw/zinc/06/70/00/1059067000.db2.gz GEKNQMZPRAAHRU-SSEXGKCCSA-N 2 1 525.690 2.960 40 0 KFABMP COCC(=O)N1CC[N@@H+](Cc2cccc(OCC[NH+]3CCCC3)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585280995 1059063932 /nfs/dbraw/zinc/06/39/32/1059063932.db2.gz UYGGWJHUWBWJDZ-MUUNZHRXSA-N 2 1 533.616 2.540 40 0 KFABMP COCC(=O)N1CC[N@H+](Cc2cccc(OCC[NH+]3CCCC3)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585280995 1059063908 /nfs/dbraw/zinc/06/39/08/1059063908.db2.gz UYGGWJHUWBWJDZ-MUUNZHRXSA-N 2 1 533.616 2.540 40 0 KFABMP COCC(=O)N1CC[N@@H+](Cc2cccc(OCC[NH+]3CCCC3)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585280997 1059063859 /nfs/dbraw/zinc/06/38/59/1059063859.db2.gz UYGGWJHUWBWJDZ-NDEPHWFRSA-N 2 1 533.616 2.540 40 0 KFABMP COCC(=O)N1CC[N@H+](Cc2cccc(OCC[NH+]3CCCC3)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585280997 1059063841 /nfs/dbraw/zinc/06/38/41/1059063841.db2.gz UYGGWJHUWBWJDZ-NDEPHWFRSA-N 2 1 533.616 2.540 40 0 KFABMP COCC(=O)N1CC[N@@H+](Cc2cccc(OCC[NH+]3CCCCC3)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585281281 1059067277 /nfs/dbraw/zinc/06/72/77/1059067277.db2.gz YKMHMIGHHCMZIP-GDLZYMKVSA-N 2 1 547.643 2.930 40 0 KFABMP COCC(=O)N1CC[N@H+](Cc2cccc(OCC[NH+]3CCCCC3)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585281281 1059067264 /nfs/dbraw/zinc/06/72/64/1059067264.db2.gz YKMHMIGHHCMZIP-GDLZYMKVSA-N 2 1 547.643 2.930 40 0 KFABMP COCC(=O)N1CC[N@@H+](Cc2cccc(OCC[NH+]3CCCCC3)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585281283 1059067347 /nfs/dbraw/zinc/06/73/47/1059067347.db2.gz YKMHMIGHHCMZIP-LJAQVGFWSA-N 2 1 547.643 2.930 40 0 KFABMP COCC(=O)N1CC[N@H+](Cc2cccc(OCC[NH+]3CCCCC3)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585281283 1059067324 /nfs/dbraw/zinc/06/73/24/1059067324.db2.gz YKMHMIGHHCMZIP-LJAQVGFWSA-N 2 1 547.643 2.930 40 0 KFABMP Cc1cc(OC[C@@]2(CC(=O)N3CC[NH+](C)CC3)CN(C(=O)CC3CC[NH+](C)CC3)CCO2)ccc1Cl ZINC000585286786 1059073532 /nfs/dbraw/zinc/07/35/32/1059073532.db2.gz QTLWJVNLCNHBGW-HHHXNRCGSA-N 2 1 521.102 2.521 40 0 KFABMP Cc1cc(OC[C@]2(CC(=O)N3CC[NH+](C)CC3)CN(C(=O)CC3CC[NH+](C)CC3)CCO2)ccc1Cl ZINC000585286790 1059073305 /nfs/dbraw/zinc/07/33/05/1059073305.db2.gz QTLWJVNLCNHBGW-MHZLTWQESA-N 2 1 521.102 2.521 40 0 KFABMP CC(=O)N1CCC([N@H+]2Cc3ccccc3OCC=C[C@H]3CN(CC[C@H]3CC(=O)NCC[NH+]3CCCC3)C(=O)C2)CC1 ZINC000958317723 1059749399 /nfs/dbraw/zinc/74/93/99/1059749399.db2.gz HPMNMDLBEUOIAK-SVBPBHIXSA-N 2 1 565.759 2.515 40 0 KFABMP CC(=O)N1CCC([N@@H+]2Cc3ccccc3OCC=C[C@H]3CN(CC[C@H]3CC(=O)NCC[NH+]3CCCC3)C(=O)C2)CC1 ZINC000958317723 1059749381 /nfs/dbraw/zinc/74/93/81/1059749381.db2.gz HPMNMDLBEUOIAK-SVBPBHIXSA-N 2 1 565.759 2.515 40 0 KFABMP O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1C[N@H+](C1CCOCC1)CC2=O)NCC[NH+]1CCCC1 ZINC000958317906 1059750864 /nfs/dbraw/zinc/75/08/64/1059750864.db2.gz YYFIXUKSAGDLGF-DQEYMECFSA-N 2 1 524.706 2.683 40 0 KFABMP