smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)cc2)CC1 ZINC000065425147 494195640 /nfs/dbraw/zinc/19/56/40/494195640.db2.gz NBGSYRRUJPQQMT-UHFFFAOYSA-N 2 1 363.505 3.225 50 30 FGEAMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[N@@H+]1C ZINC000076040374 493812044 /nfs/dbraw/zinc/81/20/44/493812044.db2.gz YGDQETPBGAIQBO-HUUCEWRRSA-N 2 1 374.554 3.242 50 30 FGEAMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[N@H+]1C ZINC000076040374 493812047 /nfs/dbraw/zinc/81/20/47/493812047.db2.gz YGDQETPBGAIQBO-HUUCEWRRSA-N 2 1 374.554 3.242 50 30 FGEAMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[NH+]1C ZINC000076040374 493812051 /nfs/dbraw/zinc/81/20/51/493812051.db2.gz YGDQETPBGAIQBO-HUUCEWRRSA-N 2 1 374.554 3.242 50 30 FGEAMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[NH+]1C ZINC000076040374 493812054 /nfs/dbraw/zinc/81/20/54/493812054.db2.gz YGDQETPBGAIQBO-HUUCEWRRSA-N 2 1 374.554 3.242 50 30 FGEAMP C[N@H+](Cc1c[nH]c(C#N)c1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000095531131 494988479 /nfs/dbraw/zinc/98/84/79/494988479.db2.gz QQECSJNBZMIDRA-UHFFFAOYSA-N 2 1 354.473 3.412 50 30 FGEAMP C=CC[NH+]1CCCn2nc(C[N@H+]3CC[C@H](c4ccccc4F)C3)cc2C1 ZINC000072169425 494143286 /nfs/dbraw/zinc/14/32/86/494143286.db2.gz PVABDOBWWJPOAK-KRWDZBQOSA-N 2 1 354.473 3.403 50 30 FGEAMP C=CC[NH+]1CCCn2nc(C[N@@H+]3CC[C@H](c4ccccc4F)C3)cc2C1 ZINC000072169425 494143291 /nfs/dbraw/zinc/14/32/91/494143291.db2.gz PVABDOBWWJPOAK-KRWDZBQOSA-N 2 1 354.473 3.403 50 30 FGEAMP C=CC[N@H+]1CCCn2nc(C[NH+]3CC[C@H](c4ccccc4F)C3)cc2C1 ZINC000072169425 494143292 /nfs/dbraw/zinc/14/32/92/494143292.db2.gz PVABDOBWWJPOAK-KRWDZBQOSA-N 2 1 354.473 3.403 50 30 FGEAMP C=CC[N@@H+]1CCCn2nc(C[NH+]3CC[C@H](c4ccccc4F)C3)cc2C1 ZINC000072169425 494143296 /nfs/dbraw/zinc/14/32/96/494143296.db2.gz PVABDOBWWJPOAK-KRWDZBQOSA-N 2 1 354.473 3.403 50 30 FGEAMP C=CCc1c(C)[nH+]c(N)nc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095363520 519121634 /nfs/dbraw/zinc/12/16/34/519121634.db2.gz XVQSZKRDPATNSK-SFHVURJKSA-N 2 1 351.498 3.054 50 30 FGEAMP C=CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(-c3cc(N)cc[nH+]3)cc2)C[C@H]1C ZINC000426580937 500291302 /nfs/dbraw/zinc/29/13/02/500291302.db2.gz HBNXCFGIWJJYHS-HZPDHXFCSA-N 2 1 350.466 3.052 50 30 FGEAMP C=CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(-c3cc(N)cc[nH+]3)cc2)C[C@H]1C ZINC000426580937 500291304 /nfs/dbraw/zinc/29/13/04/500291304.db2.gz HBNXCFGIWJJYHS-HZPDHXFCSA-N 2 1 350.466 3.052 50 30 FGEAMP C[N@@H+](Cc1cc(C#CCO)cs1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383170553 713980765 /nfs/dbraw/zinc/98/07/65/713980765.db2.gz XYYCPPYAJQYTFV-FQEVSTJZSA-N 2 1 354.519 3.046 50 30 FGEAMP C[N@H+](Cc1cc(C#CCO)cs1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383170553 713980768 /nfs/dbraw/zinc/98/07/68/713980768.db2.gz XYYCPPYAJQYTFV-FQEVSTJZSA-N 2 1 354.519 3.046 50 30 FGEAMP C[NH+](Cc1cc(C#CCO)cs1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383170553 713980770 /nfs/dbraw/zinc/98/07/70/713980770.db2.gz XYYCPPYAJQYTFV-FQEVSTJZSA-N 2 1 354.519 3.046 50 30 FGEAMP C[NH+](Cc1cc(C#CCO)cs1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383170553 713980773 /nfs/dbraw/zinc/98/07/73/713980773.db2.gz XYYCPPYAJQYTFV-FQEVSTJZSA-N 2 1 354.519 3.046 50 30 FGEAMP C[N@@H+]1CCCC12CC[NH+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000334023712 497850663 /nfs/dbraw/zinc/85/06/63/497850663.db2.gz FQZQZBPHGFQQIQ-UHFFFAOYSA-N 2 1 360.889 3.100 50 30 FGEAMP C[N@H+]1CCCC12CC[NH+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000334023712 497850673 /nfs/dbraw/zinc/85/06/73/497850673.db2.gz FQZQZBPHGFQQIQ-UHFFFAOYSA-N 2 1 360.889 3.100 50 30 FGEAMP CC(C)C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc(C#CCO)cs3)C2)CC1 ZINC000014975471 210145658 /nfs/dbraw/zinc/14/56/58/210145658.db2.gz PJOPAEIEIDTXAA-FQEVSTJZSA-N 2 1 360.567 3.282 50 30 FGEAMP C=CC[N@@H+]1C[C@@H](C)N(Cc2cc3n(n2)CCC[NH+](C2CCCC2)C3)C[C@H]1C ZINC000072169195 210064946 /nfs/dbraw/zinc/06/49/46/210064946.db2.gz LRTKJXWBOWJRLB-RTBURBONSA-N 2 1 371.573 3.112 50 30 FGEAMP C=CC[NH+]1C[C@@H](C)N(Cc2cc3n(n2)CCC[N@@H+](C2CCCC2)C3)C[C@H]1C ZINC000072169195 210064950 /nfs/dbraw/zinc/06/49/50/210064950.db2.gz LRTKJXWBOWJRLB-RTBURBONSA-N 2 1 371.573 3.112 50 30 FGEAMP C=CC[NH+]1C[C@@H](C)N(Cc2cc3n(n2)CCC[N@H+](C2CCCC2)C3)C[C@H]1C ZINC000072169195 210064953 /nfs/dbraw/zinc/06/49/53/210064953.db2.gz LRTKJXWBOWJRLB-RTBURBONSA-N 2 1 371.573 3.112 50 30 FGEAMP C=C(C)CNC(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000015067378 518607760 /nfs/dbraw/zinc/60/77/60/518607760.db2.gz YWZVIFYGZCYDFS-UHFFFAOYSA-N 2 1 369.553 3.364 50 30 FGEAMP C=CCOc1ccc(C[NH+]2CCC3(CC2)C[N@H+](C)CCN3C)cc1CC=C ZINC000067846654 494665406 /nfs/dbraw/zinc/66/54/06/494665406.db2.gz BFXPBJVSRLOTAA-UHFFFAOYSA-N 2 1 369.553 3.192 50 30 FGEAMP C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+](C)C4CC[NH+](C)CC4)[C@H]3C[C@H]12 ZINC000004028431 493860736 /nfs/dbraw/zinc/86/07/36/493860736.db2.gz WNMJQUYXUIYGDN-CDVBAKLBSA-N 2 1 360.542 3.327 50 30 FGEAMP C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+](C)C4CC[NH+](C)CC4)[C@H]3C[C@H]12 ZINC000004028431 493860739 /nfs/dbraw/zinc/86/07/39/493860739.db2.gz WNMJQUYXUIYGDN-CDVBAKLBSA-N 2 1 360.542 3.327 50 30 FGEAMP C[N@@H+](Cc1cc(C#CCO)cs1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383170554 713980868 /nfs/dbraw/zinc/98/08/68/713980868.db2.gz XYYCPPYAJQYTFV-HXUWFJFHSA-N 2 1 354.519 3.046 50 30 FGEAMP C[N@H+](Cc1cc(C#CCO)cs1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383170554 713980870 /nfs/dbraw/zinc/98/08/70/713980870.db2.gz XYYCPPYAJQYTFV-HXUWFJFHSA-N 2 1 354.519 3.046 50 30 FGEAMP C[NH+](Cc1cc(C#CCO)cs1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383170554 713980872 /nfs/dbraw/zinc/98/08/72/713980872.db2.gz XYYCPPYAJQYTFV-HXUWFJFHSA-N 2 1 354.519 3.046 50 30 FGEAMP C[NH+](Cc1cc(C#CCO)cs1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383170554 713980874 /nfs/dbraw/zinc/98/08/74/713980874.db2.gz XYYCPPYAJQYTFV-HXUWFJFHSA-N 2 1 354.519 3.046 50 30 FGEAMP CC(C)[NH+]1CCC(C[N@@H+]2CCc3nc[nH]c3[C@@H]2c2cccc(C#N)c2)CC1 ZINC000072476904 494181744 /nfs/dbraw/zinc/18/17/44/494181744.db2.gz LRCAZNCLOQTRBP-QFIPXVFZSA-N 2 1 363.509 3.349 50 30 FGEAMP CC(C)[NH+]1CCC(C[N@H+]2CCc3nc[nH]c3[C@@H]2c2cccc(C#N)c2)CC1 ZINC000072476904 494181746 /nfs/dbraw/zinc/18/17/46/494181746.db2.gz LRCAZNCLOQTRBP-QFIPXVFZSA-N 2 1 363.509 3.349 50 30 FGEAMP Cc1cc(C)c(C#N)c(N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)n1 ZINC000095366755 132208445 /nfs/dbraw/zinc/20/84/45/132208445.db2.gz BZUVVSHPXUUFGW-GOSISDBHSA-N 2 1 366.513 3.102 50 30 FGEAMP C=CCOc1c(Br)cc(C[NH2+]CCC[NH+](C)C)cc1OC ZINC000008373825 494087544 /nfs/dbraw/zinc/08/75/44/494087544.db2.gz PSAKMJCXYAFTAA-UHFFFAOYSA-N 2 1 357.292 3.064 50 30 FGEAMP C=C(C)CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000019224082 494438055 /nfs/dbraw/zinc/43/80/55/494438055.db2.gz OARSGNIKNHAVNN-HXUWFJFHSA-N 2 1 355.526 3.055 50 30 FGEAMP C=C(C)CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000019224082 494438056 /nfs/dbraw/zinc/43/80/56/494438056.db2.gz OARSGNIKNHAVNN-HXUWFJFHSA-N 2 1 355.526 3.055 50 30 FGEAMP C[NH+]1CCC(N2CC[NH+](Cc3ccc(-c4ccccc4C#N)o3)CC2)CC1 ZINC000216033222 571341436 /nfs/dbraw/zinc/34/14/36/571341436.db2.gz HCFNEUYAMWSOLY-UHFFFAOYSA-N 2 1 364.493 3.030 50 30 FGEAMP C#CC[NH+](CC=C)Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000055060972 518258455 /nfs/dbraw/zinc/25/84/55/518258455.db2.gz SWXZIZOVZZEPQD-QFIPXVFZSA-N 2 1 370.537 3.312 50 30 FGEAMP C#CC[NH+](CC=C)Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000055060972 518258462 /nfs/dbraw/zinc/25/84/62/518258462.db2.gz SWXZIZOVZZEPQD-QFIPXVFZSA-N 2 1 370.537 3.312 50 30 FGEAMP C#CC[N@@H+](CC=C)Cc1ccccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000055060972 518258466 /nfs/dbraw/zinc/25/84/66/518258466.db2.gz SWXZIZOVZZEPQD-QFIPXVFZSA-N 2 1 370.537 3.312 50 30 FGEAMP C#CC[N@H+](CC=C)Cc1ccccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000055060972 518258470 /nfs/dbraw/zinc/25/84/70/518258470.db2.gz SWXZIZOVZZEPQD-QFIPXVFZSA-N 2 1 370.537 3.312 50 30 FGEAMP CN1CCN(/C=N/c2nc3c(c(-c4ccccc4)c2C#N)CCCC3)CC1 ZINC000002585234 204044578 /nfs/dbraw/zinc/04/45/78/204044578.db2.gz WPVZDDWLNXMNKT-LFVJCYFKSA-N 2 1 359.477 3.406 50 30 FGEAMP CCC[N@H+]1CCc2nc(N)c(C#N)c(-c3cccn3-c3cc[nH+]cc3)c2C1 ZINC000072151725 494135702 /nfs/dbraw/zinc/13/57/02/494135702.db2.gz KRQUQXAPJJKEJE-UHFFFAOYSA-N 2 1 358.449 3.156 50 30 FGEAMP CC(C)c1[nH+]ccn1CCC(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000328596297 519879444 /nfs/dbraw/zinc/87/94/44/519879444.db2.gz DDTMUAJFJSBABB-SFHVURJKSA-N 2 1 356.470 3.251 50 30 FGEAMP CC(C)c1[nH+]ccn1CCC(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000328596297 519879446 /nfs/dbraw/zinc/87/94/46/519879446.db2.gz DDTMUAJFJSBABB-SFHVURJKSA-N 2 1 356.470 3.251 50 30 FGEAMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[N@@H+]1C ZINC000076040376 493812351 /nfs/dbraw/zinc/81/23/51/493812351.db2.gz YGDQETPBGAIQBO-LSDHHAIUSA-N 2 1 374.554 3.242 50 30 FGEAMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[N@H+]1C ZINC000076040376 493812359 /nfs/dbraw/zinc/81/23/59/493812359.db2.gz YGDQETPBGAIQBO-LSDHHAIUSA-N 2 1 374.554 3.242 50 30 FGEAMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[NH+]1C ZINC000076040376 493812364 /nfs/dbraw/zinc/81/23/64/493812364.db2.gz YGDQETPBGAIQBO-LSDHHAIUSA-N 2 1 374.554 3.242 50 30 FGEAMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[NH+]1C ZINC000076040376 493812367 /nfs/dbraw/zinc/81/23/67/493812367.db2.gz YGDQETPBGAIQBO-LSDHHAIUSA-N 2 1 374.554 3.242 50 30 FGEAMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[N@@H+]1C ZINC000076040381 493812788 /nfs/dbraw/zinc/81/27/88/493812788.db2.gz YGDQETPBGAIQBO-GJZGRUSLSA-N 2 1 374.554 3.242 50 30 FGEAMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[N@H+]1C ZINC000076040381 493812792 /nfs/dbraw/zinc/81/27/92/493812792.db2.gz YGDQETPBGAIQBO-GJZGRUSLSA-N 2 1 374.554 3.242 50 30 FGEAMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[NH+]1C ZINC000076040381 493812795 /nfs/dbraw/zinc/81/27/95/493812795.db2.gz YGDQETPBGAIQBO-GJZGRUSLSA-N 2 1 374.554 3.242 50 30 FGEAMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[NH+]1C ZINC000076040381 493812800 /nfs/dbraw/zinc/81/28/00/493812800.db2.gz YGDQETPBGAIQBO-GJZGRUSLSA-N 2 1 374.554 3.242 50 30 FGEAMP C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+](C)C4CC[NH+](C)CC4)[C@H]3C[C@@H]12 ZINC000035361470 204243689 /nfs/dbraw/zinc/24/36/89/204243689.db2.gz WNMJQUYXUIYGDN-VRRLNDPFSA-N 2 1 360.542 3.327 50 30 FGEAMP C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+](C)C4CC[NH+](C)CC4)[C@H]3C[C@@H]12 ZINC000035361470 204243693 /nfs/dbraw/zinc/24/36/93/204243693.db2.gz WNMJQUYXUIYGDN-VRRLNDPFSA-N 2 1 360.542 3.327 50 30 FGEAMP COCCn1c(C)c[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000575317371 505959622 /nfs/dbraw/zinc/95/96/22/505959622.db2.gz HLXOACBSJWHGBN-FQEVSTJZSA-N 2 1 352.482 3.164 50 30 FGEAMP COCCn1c(C)c[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000575317371 505959625 /nfs/dbraw/zinc/95/96/25/505959625.db2.gz HLXOACBSJWHGBN-FQEVSTJZSA-N 2 1 352.482 3.164 50 30 FGEAMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[N@@H+]1C ZINC000076040378 493812181 /nfs/dbraw/zinc/81/21/81/493812181.db2.gz YGDQETPBGAIQBO-CABCVRRESA-N 2 1 374.554 3.242 50 30 FGEAMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[N@H+]1C ZINC000076040378 493812186 /nfs/dbraw/zinc/81/21/86/493812186.db2.gz YGDQETPBGAIQBO-CABCVRRESA-N 2 1 374.554 3.242 50 30 FGEAMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[NH+]1C ZINC000076040378 493812188 /nfs/dbraw/zinc/81/21/88/493812188.db2.gz YGDQETPBGAIQBO-CABCVRRESA-N 2 1 374.554 3.242 50 30 FGEAMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[NH+]1C ZINC000076040378 493812191 /nfs/dbraw/zinc/81/21/91/493812191.db2.gz YGDQETPBGAIQBO-CABCVRRESA-N 2 1 374.554 3.242 50 30 FGEAMP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)s2)CC1 ZINC000065384917 206702087 /nfs/dbraw/zinc/70/20/87/206702087.db2.gz MLPMUWZLPWMTEH-UHFFFAOYSA-N 2 1 369.534 3.286 50 30 FGEAMP C[NH+](C)Cc1csc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@H+]2C)c1 ZINC000071753053 494097869 /nfs/dbraw/zinc/09/78/69/494097869.db2.gz LGCDRADTRTXUSU-SWLSCSKDSA-N 2 1 353.495 3.017 50 30 FGEAMP C=CC[N@@H+]1CCC[C@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095521678 494986767 /nfs/dbraw/zinc/98/67/67/494986767.db2.gz KDPYKSYEJJGGNS-OAQYLSRUSA-N 2 1 355.526 3.009 50 30 FGEAMP C=CC[N@H+]1CCC[C@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095521678 494986769 /nfs/dbraw/zinc/98/67/69/494986769.db2.gz KDPYKSYEJJGGNS-OAQYLSRUSA-N 2 1 355.526 3.009 50 30 FGEAMP C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+](C)C4CC[NH+](C)CC4)[C@H]3C[C@H]12 ZINC000012659742 494249402 /nfs/dbraw/zinc/24/94/02/494249402.db2.gz WNMJQUYXUIYGDN-AIYVTKCESA-N 2 1 360.542 3.327 50 30 FGEAMP C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+](C)C4CC[NH+](C)CC4)[C@H]3C[C@H]12 ZINC000012659742 494249404 /nfs/dbraw/zinc/24/94/04/494249404.db2.gz WNMJQUYXUIYGDN-AIYVTKCESA-N 2 1 360.542 3.327 50 30 FGEAMP C=C(C)CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000019224086 494437646 /nfs/dbraw/zinc/43/76/46/494437646.db2.gz OARSGNIKNHAVNN-FQEVSTJZSA-N 2 1 355.526 3.055 50 30 FGEAMP C=C(C)CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000019224086 494437652 /nfs/dbraw/zinc/43/76/52/494437652.db2.gz OARSGNIKNHAVNN-FQEVSTJZSA-N 2 1 355.526 3.055 50 30 FGEAMP C=C(C)COc1ccc(C[N@@H+]2CCCN(C)C3(CC[NH+](C)CC3)C2)cc1 ZINC000067447004 494543226 /nfs/dbraw/zinc/54/32/26/494543226.db2.gz QAJWGAIWZHMNEW-UHFFFAOYSA-N 2 1 357.542 3.243 50 30 FGEAMP Cc1cc(C)c(C#N)c(N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)n1 ZINC000095366754 132208473 /nfs/dbraw/zinc/20/84/73/132208473.db2.gz BZUVVSHPXUUFGW-SFHVURJKSA-N 2 1 366.513 3.102 50 30 FGEAMP COCCn1c(C)c[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000575317372 505959640 /nfs/dbraw/zinc/95/96/40/505959640.db2.gz HLXOACBSJWHGBN-HXUWFJFHSA-N 2 1 352.482 3.164 50 30 FGEAMP COCCn1c(C)c[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000575317372 505959642 /nfs/dbraw/zinc/95/96/42/505959642.db2.gz HLXOACBSJWHGBN-HXUWFJFHSA-N 2 1 352.482 3.164 50 30 FGEAMP C#CC[NH+](CC=C)Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000055060973 518258408 /nfs/dbraw/zinc/25/84/08/518258408.db2.gz SWXZIZOVZZEPQD-JOCHJYFZSA-N 2 1 370.537 3.312 50 30 FGEAMP C#CC[NH+](CC=C)Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000055060973 518258414 /nfs/dbraw/zinc/25/84/14/518258414.db2.gz SWXZIZOVZZEPQD-JOCHJYFZSA-N 2 1 370.537 3.312 50 30 FGEAMP C#CC[N@@H+](CC=C)Cc1ccccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000055060973 518258421 /nfs/dbraw/zinc/25/84/21/518258421.db2.gz SWXZIZOVZZEPQD-JOCHJYFZSA-N 2 1 370.537 3.312 50 30 FGEAMP C#CC[N@H+](CC=C)Cc1ccccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000055060973 518258425 /nfs/dbraw/zinc/25/84/25/518258425.db2.gz SWXZIZOVZZEPQD-JOCHJYFZSA-N 2 1 370.537 3.312 50 30 FGEAMP [NH2+]=C(NOC(=O)c1ccc(F)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000004784781 526810756 /nfs/dbraw/zinc/81/07/56/526810756.db2.gz KVCWZZOIWHVPDT-UHFFFAOYSA-N 2 1 355.413 3.289 50 30 FGEAMP CC(C)c1[nH+]ccn1CCC(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000328596296 519879852 /nfs/dbraw/zinc/87/98/52/519879852.db2.gz DDTMUAJFJSBABB-GOSISDBHSA-N 2 1 356.470 3.251 50 30 FGEAMP CC(C)c1[nH+]ccn1CCC(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000328596296 519879854 /nfs/dbraw/zinc/87/98/54/519879854.db2.gz DDTMUAJFJSBABB-GOSISDBHSA-N 2 1 356.470 3.251 50 30 FGEAMP C=CC[NH+]1CCCn2nc(C[N@H+]3CC[C@@H](c4ccccc4F)C3)cc2C1 ZINC000216866546 210158157 /nfs/dbraw/zinc/15/81/57/210158157.db2.gz PVABDOBWWJPOAK-QGZVFWFLSA-N 2 1 354.473 3.403 50 30 FGEAMP C=CC[NH+]1CCCn2nc(C[N@@H+]3CC[C@@H](c4ccccc4F)C3)cc2C1 ZINC000216866546 210158165 /nfs/dbraw/zinc/15/81/65/210158165.db2.gz PVABDOBWWJPOAK-QGZVFWFLSA-N 2 1 354.473 3.403 50 30 FGEAMP C=CC[N@H+]1CCCn2nc(C[NH+]3CC[C@@H](c4ccccc4F)C3)cc2C1 ZINC000216866546 210158167 /nfs/dbraw/zinc/15/81/67/210158167.db2.gz PVABDOBWWJPOAK-QGZVFWFLSA-N 2 1 354.473 3.403 50 30 FGEAMP C=CC[N@@H+]1CCCn2nc(C[NH+]3CC[C@@H](c4ccccc4F)C3)cc2C1 ZINC000216866546 210158172 /nfs/dbraw/zinc/15/81/72/210158172.db2.gz PVABDOBWWJPOAK-QGZVFWFLSA-N 2 1 354.473 3.403 50 30 FGEAMP CCn1ccnc1[C@H]1CCCCN1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000330274515 568075652 /nfs/dbraw/zinc/07/56/52/568075652.db2.gz KGDNYRVDZPHBQG-QZTJIDSGSA-N 2 1 361.534 3.464 50 30 FGEAMP C=CC[N@@H+]1CCC[C@@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095521679 518859137 /nfs/dbraw/zinc/85/91/37/518859137.db2.gz KDPYKSYEJJGGNS-NRFANRHFSA-N 2 1 355.526 3.009 50 30 FGEAMP C=CC[N@H+]1CCC[C@@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095521679 518859145 /nfs/dbraw/zinc/85/91/45/518859145.db2.gz KDPYKSYEJJGGNS-NRFANRHFSA-N 2 1 355.526 3.009 50 30 FGEAMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc(COC)cc3)CC2)CC1 ZINC000328592721 498869912 /nfs/dbraw/zinc/86/99/12/498869912.db2.gz RTPHWXCTHPFRIX-UHFFFAOYSA-N 2 1 373.541 3.486 50 30 FGEAMP CC(C)C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc(C#CCO)cs3)C2)CC1 ZINC000014975468 220138665 /nfs/dbraw/zinc/13/86/65/220138665.db2.gz PJOPAEIEIDTXAA-HXUWFJFHSA-N 2 1 360.567 3.282 50 30 FGEAMP C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+](C)C4CC[NH+](C)CC4)[C@H]3C[C@@H]12 ZINC000004028430 219535102 /nfs/dbraw/zinc/53/51/02/219535102.db2.gz WNMJQUYXUIYGDN-OUUKCGNVSA-N 2 1 360.542 3.327 50 30 FGEAMP C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+](C)C4CC[NH+](C)CC4)[C@H]3C[C@@H]12 ZINC000004028430 219535104 /nfs/dbraw/zinc/53/51/04/219535104.db2.gz WNMJQUYXUIYGDN-OUUKCGNVSA-N 2 1 360.542 3.327 50 30 FGEAMP C=CCc1c(C)[nH+]c(N)nc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095363521 519120885 /nfs/dbraw/zinc/12/08/85/519120885.db2.gz XVQSZKRDPATNSK-GOSISDBHSA-N 2 1 351.498 3.054 50 30 FGEAMP CC(C)[NH+]1CCC(C[N@@H+]2CCc3nc[nH]c3[C@H]2c2cccc(C#N)c2)CC1 ZINC000072476905 494181363 /nfs/dbraw/zinc/18/13/63/494181363.db2.gz LRCAZNCLOQTRBP-JOCHJYFZSA-N 2 1 363.509 3.349 50 30 FGEAMP CC(C)[NH+]1CCC(C[N@H+]2CCc3nc[nH]c3[C@H]2c2cccc(C#N)c2)CC1 ZINC000072476905 494181369 /nfs/dbraw/zinc/18/13/69/494181369.db2.gz LRCAZNCLOQTRBP-JOCHJYFZSA-N 2 1 363.509 3.349 50 30 FGEAMP