smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[C@H](NC(=O)CC(C)(C)[NH3+])C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1 ZINC000003920420 552422293 /nfs/dbraw/zinc/42/22/93/552422293.db2.gz KQXVERRYBYGQJZ-WRPDIKACSA-N 2 2 656.869 2.524 40 0 in-man KFABLP COc1ccc(C[C@H](NC(=O)CC(C)(C)[NH3+])C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1 ZINC000003920420 552422291 /nfs/dbraw/zinc/42/22/91/552422291.db2.gz KQXVERRYBYGQJZ-WRPDIKACSA-N 2 2 656.869 2.524 40 0 in-man KFABLP O=C(CCC[NH+]1CCOCC1)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CCC[NH+]3CCOCC3)cc2)cc1 ZINC000004958208 552490423 /nfs/dbraw/zinc/49/04/23/552490423.db2.gz CCJKYVZNQVNCTG-UHFFFAOYSA-N 2 2 558.701 2.621 40 0 KFABLP CCOc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)NCCC[NH+](CC)CC)cc2c1 ZINC000006193099 552565197 /nfs/dbraw/zinc/56/51/97/552565197.db2.gz ZIERRZAEAJQWBM-UHFFFAOYSA-N 2 2 503.713 2.667 40 0 KFABLP COc1ccccc1N1CCN(C(=O)[C@H]2C[NH+]3CC[C@@H]2C[C@@H]3Cn2cc(C[N@@H+](C)Cc3ccccc3)nn2)CC1 ZINC000008254027 1059004439 /nfs/dbraw/zinc/00/44/39/1059004439.db2.gz HNWHIKFOCPGCJE-KZQOYIJHSA-N 2 2 543.716 2.978 40 0 biogenic,in-vitro KFABLP COc1ccccc1N1CCN(C(=O)[C@H]2C[N@H+]3CC[C@@H]2C[C@@H]3Cn2cc(C[NH+](C)Cc3ccccc3)nn2)CC1 ZINC000008254027 1059004396 /nfs/dbraw/zinc/00/43/96/1059004396.db2.gz HNWHIKFOCPGCJE-KZQOYIJHSA-N 2 2 543.716 2.978 40 0 biogenic,in-vitro KFABLP COc1ccccc1N1CCN(C(=O)[C@H]2C[N@@H+]3CC[C@@H]2C[C@@H]3Cn2cc(C[NH+](C)Cc3ccccc3)nn2)CC1 ZINC000008254027 1059004373 /nfs/dbraw/zinc/00/43/73/1059004373.db2.gz HNWHIKFOCPGCJE-KZQOYIJHSA-N 2 2 543.716 2.978 40 0 biogenic,in-vitro KFABLP COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000008635629 560210421 /nfs/dbraw/zinc/21/04/21/560210421.db2.gz MHULCISMAKAJNV-RJGXRXQPSA-N 2 2 514.692 2.515 40 0 biogenic,in-vitro KFABLP O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(C[NH+]2CCN(c3ccccc3)CC2)on1)N1CCN(c2ccccn2)CC1 ZINC000067878805 1059784696 /nfs/dbraw/zinc/78/46/96/1059784696.db2.gz DJXKTGKWFAHSBP-UIOOFZCWSA-N 2 2 543.716 2.899 40 0 biogenic,in-vitro KFABLP C[NH+]1CCN(C(=O)C(Sc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000104872175 571386970 /nfs/dbraw/zinc/38/69/70/571386970.db2.gz FASKNTWWTRFBTL-UHFFFAOYSA-N 2 2 539.105 2.959 40 0 KFABLP Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1CCC[NH+]1CCOCC1 ZINC000223135539 571434903 /nfs/dbraw/zinc/43/49/03/571434903.db2.gz DKVKVEMYMFSVPG-CLJLJLNGSA-N 2 2 512.724 2.527 40 0 KFABLP Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1CCC[NH+]1CCOCC1 ZINC000223135585 571434865 /nfs/dbraw/zinc/43/48/65/571434865.db2.gz DKVKVEMYMFSVPG-FTJBHMTQSA-N 2 2 512.724 2.527 40 0 KFABLP Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1CCC[NH+]1CCOCC1 ZINC000223135640 571434868 /nfs/dbraw/zinc/43/48/68/571434868.db2.gz DKVKVEMYMFSVPG-IZZNHLLZSA-N 2 2 512.724 2.527 40 0 KFABLP Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1CCC[NH+]1CCOCC1 ZINC000223135697 571434929 /nfs/dbraw/zinc/43/49/29/571434929.db2.gz DKVKVEMYMFSVPG-UIOOFZCWSA-N 2 2 512.724 2.527 40 0 KFABLP Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1CCC[NH+]1CCOCC1 ZINC000223178912 571441346 /nfs/dbraw/zinc/44/13/46/571441346.db2.gz CHUJTXKLJKCHIS-KAYWLYCHSA-N 2 2 526.751 2.917 40 0 KFABLP Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1CCC[NH+]1CCOCC1 ZINC000223178968 571441357 /nfs/dbraw/zinc/44/13/57/571441357.db2.gz CHUJTXKLJKCHIS-SXOMAYOGSA-N 2 2 526.751 2.917 40 0 KFABLP Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1CCC[NH+]1CCOCC1 ZINC000223179033 571441418 /nfs/dbraw/zinc/44/14/18/571441418.db2.gz CHUJTXKLJKCHIS-RRPNLBNLSA-N 2 2 526.751 2.917 40 0 KFABLP Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1CCC[NH+]1CCOCC1 ZINC000223179081 571441362 /nfs/dbraw/zinc/44/13/62/571441362.db2.gz CHUJTXKLJKCHIS-SVBPBHIXSA-N 2 2 526.751 2.917 40 0 KFABLP O=c1cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)oc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)c1O ZINC000257199104 572306175 /nfs/dbraw/zinc/30/61/75/572306175.db2.gz SHQYQTDTNNGVMJ-AQJKAMLLSA-N 2 2 528.653 2.957 40 0 KFABLP O=c1cc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)oc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)c1O ZINC000257199104 572306174 /nfs/dbraw/zinc/30/61/74/572306174.db2.gz SHQYQTDTNNGVMJ-AQJKAMLLSA-N 2 2 528.653 2.957 40 0 KFABLP COc1ccc(C[N@H+]2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)cc1O ZINC000257201013 572306380 /nfs/dbraw/zinc/30/63/80/572306380.db2.gz AFUUFEJGWLCDID-AREMUKBSSA-N 2 2 504.027 2.868 40 0 KFABLP COc1ccc(C[N@@H+]2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)cc1O ZINC000257201013 572306379 /nfs/dbraw/zinc/30/63/79/572306379.db2.gz AFUUFEJGWLCDID-AREMUKBSSA-N 2 2 504.027 2.868 40 0 KFABLP COc1ccc(C[N@H+]2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)cc1O ZINC000257201014 572306409 /nfs/dbraw/zinc/30/64/09/572306409.db2.gz AFUUFEJGWLCDID-SANMLTNESA-N 2 2 504.027 2.868 40 0 KFABLP COc1ccc(C[N@@H+]2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)cc1O ZINC000257201014 572306408 /nfs/dbraw/zinc/30/64/08/572306408.db2.gz AFUUFEJGWLCDID-SANMLTNESA-N 2 2 504.027 2.868 40 0 KFABLP Cc1nn(CC(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccc(F)cc2F)C[N@H+]3Cc2ccc(Cl)cc2)c(C)[n+]1N[N+](=O)[O-] ZINC000257289403 572314761 /nfs/dbraw/zinc/31/47/61/572314761.db2.gz PYLXWRLFHZLVFO-VDKIKQQVSA-N 2 2 561.013 2.971 40 0 KFABLP Cc1nn(CC(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccc(F)cc2F)C[N@@H+]3Cc2ccc(Cl)cc2)c(C)[n+]1N[N+](=O)[O-] ZINC000257289403 572314760 /nfs/dbraw/zinc/31/47/60/572314760.db2.gz PYLXWRLFHZLVFO-VDKIKQQVSA-N 2 2 561.013 2.971 40 0 KFABLP C[NH+](C)CCOc1cccc(C[N@H+]2CCO[C@](COc3ccc(F)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257299983 572315827 /nfs/dbraw/zinc/31/58/27/572315827.db2.gz RSKNICMYRGPCBV-GDLZYMKVSA-N 3 2 528.669 2.580 40 0 KFABLP C[NH+](C)CCOc1cccc(C[N@@H+]2CCO[C@](COc3ccc(F)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257299983 572315826 /nfs/dbraw/zinc/31/58/26/572315826.db2.gz RSKNICMYRGPCBV-GDLZYMKVSA-N 3 2 528.669 2.580 40 0 KFABLP C[NH+](C)CCOc1cccc(C[N@H+]2CCO[C@@](COc3ccc(F)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257299984 572315717 /nfs/dbraw/zinc/31/57/17/572315717.db2.gz RSKNICMYRGPCBV-LJAQVGFWSA-N 3 2 528.669 2.580 40 0 KFABLP C[NH+](C)CCOc1cccc(C[N@@H+]2CCO[C@@](COc3ccc(F)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257299984 572315716 /nfs/dbraw/zinc/31/57/16/572315716.db2.gz RSKNICMYRGPCBV-LJAQVGFWSA-N 3 2 528.669 2.580 40 0 KFABLP CCc1[nH+]ccn1CC(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257304842 572316307 /nfs/dbraw/zinc/31/63/07/572316307.db2.gz SNJMEICWGMUPPM-UGKGYDQZSA-N 2 2 532.483 2.668 40 0 KFABLP COCCn1c(C)cc(C[N@H+]2CCO[C@](COc3ccc(F)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c1C ZINC000257330359 572318912 /nfs/dbraw/zinc/31/89/12/572318912.db2.gz XOATXPQLIYWDSG-MUUNZHRXSA-N 2 2 516.658 2.705 40 0 KFABLP COCCn1c(C)cc(C[N@@H+]2CCO[C@](COc3ccc(F)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c1C ZINC000257330359 572318911 /nfs/dbraw/zinc/31/89/11/572318911.db2.gz XOATXPQLIYWDSG-MUUNZHRXSA-N 2 2 516.658 2.705 40 0 KFABLP COCCn1c(C)cc(C[N@H+]2CCO[C@@](COc3ccc(F)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c1C ZINC000257330360 572318902 /nfs/dbraw/zinc/31/89/02/572318902.db2.gz XOATXPQLIYWDSG-NDEPHWFRSA-N 2 2 516.658 2.705 40 0 KFABLP COCCn1c(C)cc(C[N@@H+]2CCO[C@@](COc3ccc(F)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c1C ZINC000257330360 572318901 /nfs/dbraw/zinc/31/89/01/572318901.db2.gz XOATXPQLIYWDSG-NDEPHWFRSA-N 2 2 516.658 2.705 40 0 KFABLP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCN(C(=O)COC)C[C@](O)(COc3ccc(F)cc3)C2)cc1OC ZINC000585271504 1059052268 /nfs/dbraw/zinc/05/22/68/1059052268.db2.gz IENWTOSRGHBITG-PMERELPUSA-N 2 2 570.662 2.773 40 0 KFABLP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCN(C(=O)COC)C[C@](O)(COc3ccc(F)cc3)C2)cc1OC ZINC000585271504 1059052243 /nfs/dbraw/zinc/05/22/43/1059052243.db2.gz IENWTOSRGHBITG-PMERELPUSA-N 2 2 570.662 2.773 40 0 KFABLP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCN(C(=O)COC)C[C@@](O)(COc3ccc(F)cc3)C2)cc1OC ZINC000585271510 1059051950 /nfs/dbraw/zinc/05/19/50/1059051950.db2.gz IENWTOSRGHBITG-SSEXGKCCSA-N 2 2 570.662 2.773 40 0 KFABLP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCN(C(=O)COC)C[C@@](O)(COc3ccc(F)cc3)C2)cc1OC ZINC000585271510 1059051930 /nfs/dbraw/zinc/05/19/30/1059051930.db2.gz IENWTOSRGHBITG-SSEXGKCCSA-N 2 2 570.662 2.773 40 0 KFABLP COc1cc(C[N@@H+](C)C[C@]2(O)CCN(c3cc(N(C)C)nc[nH+]3)C2)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585272113 1059058725 /nfs/dbraw/zinc/05/87/25/1059058725.db2.gz JANNHPVETMVPKM-MUUNZHRXSA-N 3 2 512.699 2.735 40 0 KFABLP COc1cc(C[N@H+](C)C[C@]2(O)CCN(c3cc(N(C)C)nc[nH+]3)C2)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585272113 1059058705 /nfs/dbraw/zinc/05/87/05/1059058705.db2.gz JANNHPVETMVPKM-MUUNZHRXSA-N 3 2 512.699 2.735 40 0 KFABLP COc1cc(C[N@@H+](C)C[C@]2(O)CCN(c3cc(N(C)C)[nH+]cn3)C2)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585272113 1059058683 /nfs/dbraw/zinc/05/86/83/1059058683.db2.gz JANNHPVETMVPKM-MUUNZHRXSA-N 3 2 512.699 2.735 40 0 KFABLP COc1cc(C[N@H+](C)C[C@]2(O)CCN(c3cc(N(C)C)[nH+]cn3)C2)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585272113 1059058661 /nfs/dbraw/zinc/05/86/61/1059058661.db2.gz JANNHPVETMVPKM-MUUNZHRXSA-N 3 2 512.699 2.735 40 0 KFABLP COc1cc(C[N@@H+](C)C[C@@]2(O)CCN(c3cc(N(C)C)nc[nH+]3)C2)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585272128 1059058602 /nfs/dbraw/zinc/05/86/02/1059058602.db2.gz JANNHPVETMVPKM-NDEPHWFRSA-N 3 2 512.699 2.735 40 0 KFABLP COc1cc(C[N@H+](C)C[C@@]2(O)CCN(c3cc(N(C)C)nc[nH+]3)C2)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585272128 1059058581 /nfs/dbraw/zinc/05/85/81/1059058581.db2.gz JANNHPVETMVPKM-NDEPHWFRSA-N 3 2 512.699 2.735 40 0 KFABLP COc1cc(C[N@@H+](C)C[C@@]2(O)CCN(c3cc(N(C)C)[nH+]cn3)C2)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585272128 1059058567 /nfs/dbraw/zinc/05/85/67/1059058567.db2.gz JANNHPVETMVPKM-NDEPHWFRSA-N 3 2 512.699 2.735 40 0 KFABLP COc1cc(C[N@H+](C)C[C@@]2(O)CCN(c3cc(N(C)C)[nH+]cn3)C2)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585272128 1059058530 /nfs/dbraw/zinc/05/85/30/1059058530.db2.gz JANNHPVETMVPKM-NDEPHWFRSA-N 3 2 512.699 2.735 40 0 KFABLP COCC(=O)N1CC[N@@H+](Cc2ccc(OCCCn3cc[nH+]c3C)cc2)C[C@](O)(COc2ccc(F)cc2)C1 ZINC000585272183 1059051303 /nfs/dbraw/zinc/05/13/03/1059051303.db2.gz GXZWQKPBPZDZAZ-GDLZYMKVSA-N 2 2 540.636 2.900 40 0 KFABLP COCC(=O)N1CC[N@H+](Cc2ccc(OCCCn3cc[nH+]c3C)cc2)C[C@](O)(COc2ccc(F)cc2)C1 ZINC000585272183 1059051281 /nfs/dbraw/zinc/05/12/81/1059051281.db2.gz GXZWQKPBPZDZAZ-GDLZYMKVSA-N 2 2 540.636 2.900 40 0 KFABLP COCC(=O)N1CC[N@@H+](Cc2ccc(OCCCn3cc[nH+]c3C)cc2)C[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585272192 1059051390 /nfs/dbraw/zinc/05/13/90/1059051390.db2.gz GXZWQKPBPZDZAZ-LJAQVGFWSA-N 2 2 540.636 2.900 40 0 KFABLP COCC(=O)N1CC[N@H+](Cc2ccc(OCCCn3cc[nH+]c3C)cc2)C[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585272192 1059051368 /nfs/dbraw/zinc/05/13/68/1059051368.db2.gz GXZWQKPBPZDZAZ-LJAQVGFWSA-N 2 2 540.636 2.900 40 0 KFABLP COCC(=O)N1CC[N@@H+](Cc2ccc(OCCCn3cc[nH+]c3C)cc2)C[C@](O)(COc2ccccc2)C1 ZINC000585272211 1059051535 /nfs/dbraw/zinc/05/15/35/1059051535.db2.gz HBWLGDVZPNOERK-GDLZYMKVSA-N 2 2 522.646 2.761 40 0 KFABLP COCC(=O)N1CC[N@H+](Cc2ccc(OCCCn3cc[nH+]c3C)cc2)C[C@](O)(COc2ccccc2)C1 ZINC000585272211 1059051515 /nfs/dbraw/zinc/05/15/15/1059051515.db2.gz HBWLGDVZPNOERK-GDLZYMKVSA-N 2 2 522.646 2.761 40 0 KFABLP COCC(=O)N1CC[N@@H+](Cc2ccc(OCCCn3cc[nH+]c3C)cc2)C[C@@](O)(COc2ccccc2)C1 ZINC000585272216 1059051132 /nfs/dbraw/zinc/05/11/32/1059051132.db2.gz HBWLGDVZPNOERK-LJAQVGFWSA-N 2 2 522.646 2.761 40 0 KFABLP COCC(=O)N1CC[N@H+](Cc2ccc(OCCCn3cc[nH+]c3C)cc2)C[C@@](O)(COc2ccccc2)C1 ZINC000585272216 1059051098 /nfs/dbraw/zinc/05/10/98/1059051098.db2.gz HBWLGDVZPNOERK-LJAQVGFWSA-N 2 2 522.646 2.761 40 0 KFABLP COCC(=O)N1CC[N@@H+](Cc2ccc(OCCn3cc[nH+]c3C)c(OC)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585272310 1059052648 /nfs/dbraw/zinc/05/26/48/1059052648.db2.gz MHHMGQUUIBBNQC-PMERELPUSA-N 2 2 552.672 2.688 40 0 KFABLP COCC(=O)N1CC[N@H+](Cc2ccc(OCCn3cc[nH+]c3C)c(OC)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585272310 1059052623 /nfs/dbraw/zinc/05/26/23/1059052623.db2.gz MHHMGQUUIBBNQC-PMERELPUSA-N 2 2 552.672 2.688 40 0 KFABLP COCC(=O)N1CC[N@@H+](Cc2ccc(OCCn3cc[nH+]c3C)c(OC)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585272313 1059053333 /nfs/dbraw/zinc/05/33/33/1059053333.db2.gz MHHMGQUUIBBNQC-SSEXGKCCSA-N 2 2 552.672 2.688 40 0 KFABLP COCC(=O)N1CC[N@H+](Cc2ccc(OCCn3cc[nH+]c3C)c(OC)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585272313 1059053312 /nfs/dbraw/zinc/05/33/12/1059053312.db2.gz MHHMGQUUIBBNQC-SSEXGKCCSA-N 2 2 552.672 2.688 40 0 KFABLP CCc1[nH+]ccn1CCOc1cc(C[N@H+]2CCN(C(=O)COC)C[C@](O)(COc3ccc(C)cc3)C2)ccc1OC ZINC000585272314 1059053154 /nfs/dbraw/zinc/05/31/54/1059053154.db2.gz MIXXGUVZLXYABK-HKBQPEDESA-N 2 2 566.699 2.942 40 0 KFABLP CCc1[nH+]ccn1CCOc1cc(C[N@@H+]2CCN(C(=O)COC)C[C@](O)(COc3ccc(C)cc3)C2)ccc1OC ZINC000585272314 1059053130 /nfs/dbraw/zinc/05/31/30/1059053130.db2.gz MIXXGUVZLXYABK-HKBQPEDESA-N 2 2 566.699 2.942 40 0 KFABLP CCc1[nH+]ccn1CCOc1cc(C[N@H+]2CCN(C(=O)COC)C[C@@](O)(COc3ccc(C)cc3)C2)ccc1OC ZINC000585272323 1059053064 /nfs/dbraw/zinc/05/30/64/1059053064.db2.gz MIXXGUVZLXYABK-WJOKGBTCSA-N 2 2 566.699 2.942 40 0 KFABLP CCc1[nH+]ccn1CCOc1cc(C[N@@H+]2CCN(C(=O)COC)C[C@@](O)(COc3ccc(C)cc3)C2)ccc1OC ZINC000585272323 1059053040 /nfs/dbraw/zinc/05/30/40/1059053040.db2.gz MIXXGUVZLXYABK-WJOKGBTCSA-N 2 2 566.699 2.942 40 0 KFABLP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCN(C(=O)COC)C[C@](O)(COc3ccc(C)cc3)C2)cc1OC ZINC000585272760 1059053245 /nfs/dbraw/zinc/05/32/45/1059053245.db2.gz OMWZOXSENDOYOY-HKBQPEDESA-N 2 2 566.699 2.942 40 0 KFABLP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCN(C(=O)COC)C[C@](O)(COc3ccc(C)cc3)C2)cc1OC ZINC000585272760 1059053222 /nfs/dbraw/zinc/05/32/22/1059053222.db2.gz OMWZOXSENDOYOY-HKBQPEDESA-N 2 2 566.699 2.942 40 0 KFABLP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCN(C(=O)COC)C[C@@](O)(COc3ccc(C)cc3)C2)cc1OC ZINC000585272763 1059052965 /nfs/dbraw/zinc/05/29/65/1059052965.db2.gz OMWZOXSENDOYOY-WJOKGBTCSA-N 2 2 566.699 2.942 40 0 KFABLP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCN(C(=O)COC)C[C@@](O)(COc3ccc(C)cc3)C2)cc1OC ZINC000585272763 1059052943 /nfs/dbraw/zinc/05/29/43/1059052943.db2.gz OMWZOXSENDOYOY-WJOKGBTCSA-N 2 2 566.699 2.942 40 0 KFABLP COc1cc(C[N@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccccc3)C2)ccc1OCCn1cc[nH+]c1C ZINC000585272917 1059052873 /nfs/dbraw/zinc/05/28/73/1059052873.db2.gz PGNNWYZOJXJZLZ-MUUNZHRXSA-N 2 2 508.619 2.753 40 0 KFABLP COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccccc3)C2)ccc1OCCn1cc[nH+]c1C ZINC000585272917 1059052850 /nfs/dbraw/zinc/05/28/50/1059052850.db2.gz PGNNWYZOJXJZLZ-MUUNZHRXSA-N 2 2 508.619 2.753 40 0 KFABLP COc1cc(C[N@H+]2CCN(C(C)=O)C[C@](O)(COc3ccccc3)C2)ccc1OCCn1cc[nH+]c1C ZINC000585272918 1059052789 /nfs/dbraw/zinc/05/27/89/1059052789.db2.gz PGNNWYZOJXJZLZ-NDEPHWFRSA-N 2 2 508.619 2.753 40 0 KFABLP COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccccc3)C2)ccc1OCCn1cc[nH+]c1C ZINC000585272918 1059052770 /nfs/dbraw/zinc/05/27/70/1059052770.db2.gz PGNNWYZOJXJZLZ-NDEPHWFRSA-N 2 2 508.619 2.753 40 0 KFABLP COCC(=O)N1CC[N@@H+](Cc2ccc(OCCn3cc[nH+]c3C)cc2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585273008 1059058473 /nfs/dbraw/zinc/05/84/73/1059058473.db2.gz MMQFHEHRQVLQGM-GDLZYMKVSA-N 2 2 522.646 2.680 40 0 KFABLP COCC(=O)N1CC[N@H+](Cc2ccc(OCCn3cc[nH+]c3C)cc2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585273008 1059058453 /nfs/dbraw/zinc/05/84/53/1059058453.db2.gz MMQFHEHRQVLQGM-GDLZYMKVSA-N 2 2 522.646 2.680 40 0 KFABLP COCC(=O)N1CC[N@@H+](Cc2ccc(OCCn3cc[nH+]c3C)cc2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585273011 1059058834 /nfs/dbraw/zinc/05/88/34/1059058834.db2.gz MMQFHEHRQVLQGM-LJAQVGFWSA-N 2 2 522.646 2.680 40 0 KFABLP COCC(=O)N1CC[N@H+](Cc2ccc(OCCn3cc[nH+]c3C)cc2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585273011 1059058813 /nfs/dbraw/zinc/05/88/13/1059058813.db2.gz MMQFHEHRQVLQGM-LJAQVGFWSA-N 2 2 522.646 2.680 40 0 KFABLP CCc1[nH+]ccn1CCOc1cc(C[N@H+]2CCN(C(=O)COC)C[C@](O)(COc3ccc(F)cc3)C2)ccc1OC ZINC000585273621 1059060049 /nfs/dbraw/zinc/06/00/49/1059060049.db2.gz SRLJXPSXMCPTGP-PMERELPUSA-N 2 2 570.662 2.773 40 0 KFABLP CCc1[nH+]ccn1CCOc1cc(C[N@@H+]2CCN(C(=O)COC)C[C@](O)(COc3ccc(F)cc3)C2)ccc1OC ZINC000585273621 1059060029 /nfs/dbraw/zinc/06/00/29/1059060029.db2.gz SRLJXPSXMCPTGP-PMERELPUSA-N 2 2 570.662 2.773 40 0 KFABLP CCc1[nH+]ccn1CCOc1cc(C[N@H+]2CCN(C(=O)COC)C[C@@](O)(COc3ccc(F)cc3)C2)ccc1OC ZINC000585273622 1059060551 /nfs/dbraw/zinc/06/05/51/1059060551.db2.gz SRLJXPSXMCPTGP-SSEXGKCCSA-N 2 2 570.662 2.773 40 0 KFABLP CCc1[nH+]ccn1CCOc1cc(C[N@@H+]2CCN(C(=O)COC)C[C@@](O)(COc3ccc(F)cc3)C2)ccc1OC ZINC000585273622 1059060527 /nfs/dbraw/zinc/06/05/27/1059060527.db2.gz SRLJXPSXMCPTGP-SSEXGKCCSA-N 2 2 570.662 2.773 40 0 KFABLP COCC(=O)N1CC[N@@H+](Cc2ccc(OCCn3cc[nH+]c3C)c(OC)c2)C[C@](O)(COc2ccc(F)cc2)C1 ZINC000585274046 1059056900 /nfs/dbraw/zinc/05/69/00/1059056900.db2.gz UVSVWEYJKHWLOP-GDLZYMKVSA-N 2 2 556.635 2.519 40 0 KFABLP COCC(=O)N1CC[N@H+](Cc2ccc(OCCn3cc[nH+]c3C)c(OC)c2)C[C@](O)(COc2ccc(F)cc2)C1 ZINC000585274046 1059056877 /nfs/dbraw/zinc/05/68/77/1059056877.db2.gz UVSVWEYJKHWLOP-GDLZYMKVSA-N 2 2 556.635 2.519 40 0 KFABLP COCC(=O)N1CC[N@@H+](Cc2ccc(OCCn3cc[nH+]c3C)c(OC)c2)C[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585274047 1059056986 /nfs/dbraw/zinc/05/69/86/1059056986.db2.gz UVSVWEYJKHWLOP-LJAQVGFWSA-N 2 2 556.635 2.519 40 0 KFABLP COCC(=O)N1CC[N@H+](Cc2ccc(OCCn3cc[nH+]c3C)c(OC)c2)C[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585274047 1059056963 /nfs/dbraw/zinc/05/69/63/1059056963.db2.gz UVSVWEYJKHWLOP-LJAQVGFWSA-N 2 2 556.635 2.519 40 0 KFABLP COCC(=O)N1CC[N@@H+](Cc2cccc(OCCn3cc[nH+]c3C)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274247 1059056656 /nfs/dbraw/zinc/05/66/56/1059056656.db2.gz HSVSNRCYRRQRDB-MUUNZHRXSA-N 2 2 544.599 2.649 40 0 KFABLP COCC(=O)N1CC[N@H+](Cc2cccc(OCCn3cc[nH+]c3C)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274247 1059056635 /nfs/dbraw/zinc/05/66/35/1059056635.db2.gz HSVSNRCYRRQRDB-MUUNZHRXSA-N 2 2 544.599 2.649 40 0 KFABLP COCC(=O)N1CC[N@@H+](Cc2cccc(OCCn3cc[nH+]c3C)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274250 1059056175 /nfs/dbraw/zinc/05/61/75/1059056175.db2.gz HSVSNRCYRRQRDB-NDEPHWFRSA-N 2 2 544.599 2.649 40 0 KFABLP COCC(=O)N1CC[N@H+](Cc2cccc(OCCn3cc[nH+]c3C)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274250 1059056153 /nfs/dbraw/zinc/05/61/53/1059056153.db2.gz HSVSNRCYRRQRDB-NDEPHWFRSA-N 2 2 544.599 2.649 40 0 KFABLP CCc1[nH+]ccn1CCOc1cc(C[N@H+]2CCN(C(=O)COC)C[C@](O)(COc3cc(F)cc(F)c3)C2)ccc1OC ZINC000585274672 1059054416 /nfs/dbraw/zinc/05/44/16/1059054416.db2.gz LXRGFIIGZIWPBU-PMERELPUSA-N 2 2 588.652 2.912 40 0 KFABLP CCc1[nH+]ccn1CCOc1cc(C[N@@H+]2CCN(C(=O)COC)C[C@](O)(COc3cc(F)cc(F)c3)C2)ccc1OC ZINC000585274672 1059054392 /nfs/dbraw/zinc/05/43/92/1059054392.db2.gz LXRGFIIGZIWPBU-PMERELPUSA-N 2 2 588.652 2.912 40 0 KFABLP CCc1[nH+]ccn1CCOc1cc(C[N@H+]2CCN(C(=O)COC)C[C@@](O)(COc3cc(F)cc(F)c3)C2)ccc1OC ZINC000585274673 1059054535 /nfs/dbraw/zinc/05/45/35/1059054535.db2.gz LXRGFIIGZIWPBU-SSEXGKCCSA-N 2 2 588.652 2.912 40 0 KFABLP CCc1[nH+]ccn1CCOc1cc(C[N@@H+]2CCN(C(=O)COC)C[C@@](O)(COc3cc(F)cc(F)c3)C2)ccc1OC ZINC000585274673 1059054511 /nfs/dbraw/zinc/05/45/11/1059054511.db2.gz LXRGFIIGZIWPBU-SSEXGKCCSA-N 2 2 588.652 2.912 40 0 KFABLP COCC(=O)N1CC[N@@H+](Cc2cccc(OCCn3cc[nH+]c3C)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585274791 1059053734 /nfs/dbraw/zinc/05/37/34/1059053734.db2.gz OAYGILOYTUEEAV-GDLZYMKVSA-N 2 2 522.646 2.680 40 0 KFABLP COCC(=O)N1CC[N@H+](Cc2cccc(OCCn3cc[nH+]c3C)c2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585274791 1059053718 /nfs/dbraw/zinc/05/37/18/1059053718.db2.gz OAYGILOYTUEEAV-GDLZYMKVSA-N 2 2 522.646 2.680 40 0 KFABLP COCC(=O)N1CC[N@@H+](Cc2cccc(OCCn3cc[nH+]c3C)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585274792 1059053804 /nfs/dbraw/zinc/05/38/04/1059053804.db2.gz OAYGILOYTUEEAV-LJAQVGFWSA-N 2 2 522.646 2.680 40 0 KFABLP COCC(=O)N1CC[N@H+](Cc2cccc(OCCn3cc[nH+]c3C)c2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585274792 1059053786 /nfs/dbraw/zinc/05/37/86/1059053786.db2.gz OAYGILOYTUEEAV-LJAQVGFWSA-N 2 2 522.646 2.680 40 0 KFABLP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCN(C(=O)COC)C[C@](O)(COc3ccc(F)c(F)c3)C2)cc1OC ZINC000585274827 1059054145 /nfs/dbraw/zinc/05/41/45/1059054145.db2.gz OXMGMAXUXAFGGY-PMERELPUSA-N 2 2 588.652 2.912 40 0 KFABLP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCN(C(=O)COC)C[C@](O)(COc3ccc(F)c(F)c3)C2)cc1OC ZINC000585274827 1059054124 /nfs/dbraw/zinc/05/41/24/1059054124.db2.gz OXMGMAXUXAFGGY-PMERELPUSA-N 2 2 588.652 2.912 40 0 KFABLP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCN(C(=O)COC)C[C@@](O)(COc3ccc(F)c(F)c3)C2)cc1OC ZINC000585274828 1059054692 /nfs/dbraw/zinc/05/46/92/1059054692.db2.gz OXMGMAXUXAFGGY-SSEXGKCCSA-N 2 2 588.652 2.912 40 0 KFABLP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCN(C(=O)COC)C[C@@](O)(COc3ccc(F)c(F)c3)C2)cc1OC ZINC000585274828 1059054672 /nfs/dbraw/zinc/05/46/72/1059054672.db2.gz OXMGMAXUXAFGGY-SSEXGKCCSA-N 2 2 588.652 2.912 40 0 KFABLP COCC(=O)N1CC[N@@H+](Cc2ccc(OC)c(OCCn3cc[nH+]c3C)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274881 1059054867 /nfs/dbraw/zinc/05/48/67/1059054867.db2.gz QJOBOABCEMPJTP-GDLZYMKVSA-N 2 2 574.625 2.658 40 0 KFABLP COCC(=O)N1CC[N@H+](Cc2ccc(OC)c(OCCn3cc[nH+]c3C)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274881 1059054845 /nfs/dbraw/zinc/05/48/45/1059054845.db2.gz QJOBOABCEMPJTP-GDLZYMKVSA-N 2 2 574.625 2.658 40 0 KFABLP COCC(=O)N1CC[N@@H+](Cc2ccc(OC)c(OCCn3cc[nH+]c3C)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274882 1059055045 /nfs/dbraw/zinc/05/50/45/1059055045.db2.gz QJOBOABCEMPJTP-LJAQVGFWSA-N 2 2 574.625 2.658 40 0 KFABLP COCC(=O)N1CC[N@H+](Cc2ccc(OC)c(OCCn3cc[nH+]c3C)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274882 1059055024 /nfs/dbraw/zinc/05/50/24/1059055024.db2.gz QJOBOABCEMPJTP-LJAQVGFWSA-N 2 2 574.625 2.658 40 0 KFABLP COCC(=O)N1CC[N@@H+](Cc2ccc(OCCn3cc[nH+]c3C)c(OC)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585274916 1059054781 /nfs/dbraw/zinc/05/47/81/1059054781.db2.gz 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