smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C2(C(=O)N3CC[N@H+](C)[C@@H](c4ccccc4)C3)CC2)cc1 ZINC000217136343 206363301 /nfs/dbraw/zinc/36/33/01/206363301.db2.gz LYELRRQMLBTGDE-HXUWFJFHSA-N 1 1 350.462 3.242 50 70 FGIAMO COc1ccc(C2(C(=O)N3CC[N@@H+](C)[C@@H](c4ccccc4)C3)CC2)cc1 ZINC000217136343 206363304 /nfs/dbraw/zinc/36/33/04/206363304.db2.gz LYELRRQMLBTGDE-HXUWFJFHSA-N 1 1 350.462 3.242 50 70 FGIAMO COc1ccc2[nH]c(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(C)c2c1 ZINC000217780534 206366290 /nfs/dbraw/zinc/36/62/90/206366290.db2.gz LBKKOBZEZMOUDN-HNAYVOBHSA-N 1 1 355.482 3.479 50 70 FGIAMO COc1ccc(OC)c2[nH]c(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc21 ZINC000217789628 206366522 /nfs/dbraw/zinc/36/65/22/206366522.db2.gz UUQAOEILKFPJBT-WMLDXEAASA-N 1 1 371.481 3.179 50 70 FGIAMO COc1ccc(CNC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cn1 ZINC000160856043 496055098 /nfs/dbraw/zinc/05/50/98/496055098.db2.gz UAPUESNABDOFFG-QGZVFWFLSA-N 1 1 374.529 3.276 50 70 FGIAMO c1csc(C[N@@H+]2CCCN(Cc3cnc(N4CCCCC4)nc3)CC2)c1 ZINC000218050988 526580636 /nfs/dbraw/zinc/58/06/36/526580636.db2.gz ULLMWWDDMXSFAQ-UHFFFAOYSA-N 1 1 371.554 3.236 50 70 FGIAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1c[nH]nc1-c1ccc(F)cc1 ZINC000217734342 571350289 /nfs/dbraw/zinc/35/02/89/571350289.db2.gz HWTXLLNFEDCTJC-MAUKXSAKSA-N 1 1 356.445 3.210 50 70 FGIAMO COc1ccc(C2(C(=O)N3CC[N@H+](C)[C@H](c4ccccc4)C3)CC2)cc1 ZINC000217136352 206362398 /nfs/dbraw/zinc/36/23/98/206362398.db2.gz LYELRRQMLBTGDE-FQEVSTJZSA-N 1 1 350.462 3.242 50 70 FGIAMO COc1ccc(C2(C(=O)N3CC[N@@H+](C)[C@H](c4ccccc4)C3)CC2)cc1 ZINC000217136352 206362399 /nfs/dbraw/zinc/36/23/99/206362399.db2.gz LYELRRQMLBTGDE-FQEVSTJZSA-N 1 1 350.462 3.242 50 70 FGIAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cc1csc2nc(-c3ccccc3)cn12 ZINC000218482660 521655157 /nfs/dbraw/zinc/65/51/57/521655157.db2.gz ZZEOTPQGINHWMB-INIZCTEOSA-N 1 1 368.506 3.206 50 70 FGIAMO COc1ccc(C[N@@H+]2CCCn3nc([C@H](O)C4CCC4)cc3C2)c(OC)c1 ZINC000218265841 524030423 /nfs/dbraw/zinc/03/04/23/524030423.db2.gz QBQASYHXFKXXNL-OAQYLSRUSA-N 1 1 371.481 3.140 50 70 FGIAMO COc1ccc(C[N@H+]2CCCn3nc([C@H](O)C4CCC4)cc3C2)c(OC)c1 ZINC000218265841 524030426 /nfs/dbraw/zinc/03/04/26/524030426.db2.gz QBQASYHXFKXXNL-OAQYLSRUSA-N 1 1 371.481 3.140 50 70 FGIAMO O=C(NCCc1noc(C2CCC2)n1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000217203552 526466652 /nfs/dbraw/zinc/46/66/52/526466652.db2.gz CBHDZOGCRIPKPU-SFHVURJKSA-N 1 1 368.481 3.051 50 70 FGIAMO C[N@@H+]1CCN(C(=O)CCC(=O)NC2CCCCCC2)C[C@@H]1c1ccccc1 ZINC000217077014 496994695 /nfs/dbraw/zinc/99/46/95/496994695.db2.gz NQIJKKYLMZFZMV-HXUWFJFHSA-N 1 1 371.525 3.121 50 70 FGIAMO C[N@H+]1CCN(C(=O)CCC(=O)NC2CCCCCC2)C[C@@H]1c1ccccc1 ZINC000217077014 496994698 /nfs/dbraw/zinc/99/46/98/496994698.db2.gz NQIJKKYLMZFZMV-HXUWFJFHSA-N 1 1 371.525 3.121 50 70 FGIAMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C3CCC(F)(F)CC3)c2)CCO1 ZINC000159912898 495838401 /nfs/dbraw/zinc/83/84/01/495838401.db2.gz PREDPTHNAWOLRC-OAHLLOKOSA-N 1 1 366.452 3.349 50 70 FGIAMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C3CCC(F)(F)CC3)c2)CCO1 ZINC000159912898 495838405 /nfs/dbraw/zinc/83/84/05/495838405.db2.gz PREDPTHNAWOLRC-OAHLLOKOSA-N 1 1 366.452 3.349 50 70 FGIAMO CN(Cc1cc[nH]n1)C(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000217466494 523189677 /nfs/dbraw/zinc/18/96/77/523189677.db2.gz ARPIQEJRSDSAHG-UHFFFAOYSA-N 1 1 360.461 3.240 50 70 FGIAMO C[C@H](O)c1cc2n(n1)CCC[N@H+](C1CCN(c3cccc(Cl)c3)CC1)C2 ZINC000217085863 132272051 /nfs/dbraw/zinc/27/20/51/132272051.db2.gz OJGIXVKBGXOINH-HNNXBMFYSA-N 1 1 374.916 3.465 50 70 FGIAMO O=C(c1ccccc1OCCc1ccccc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000217098201 496994881 /nfs/dbraw/zinc/99/48/81/496994881.db2.gz BFFURDNACCUNAU-LJQANCHMSA-N 1 1 350.462 3.228 50 70 FGIAMO Cc1nc2ccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2nc1C ZINC000217714511 571350199 /nfs/dbraw/zinc/35/01/99/571350199.db2.gz KFHAFRLKRMLNCZ-FXAWDEMLSA-N 1 1 352.482 3.241 50 70 FGIAMO COc1cccc2ccn(CCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c21 ZINC000217674714 524262256 /nfs/dbraw/zinc/26/22/56/524262256.db2.gz GLSSHOJRPRASDQ-RBUKOAKNSA-N 1 1 369.509 3.421 50 70 FGIAMO O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC(Cn2ccnc2)CC1 ZINC000218578063 526466734 /nfs/dbraw/zinc/46/67/34/526466734.db2.gz FNHAWUZXSSCSQH-NRFANRHFSA-N 1 1 366.509 3.176 50 70 FGIAMO C[NH+](C)[C@@H](C(=O)N1CCC2(CNc3ccccc32)CC1)c1ccc(F)cc1 ZINC000217394233 496997034 /nfs/dbraw/zinc/99/70/34/496997034.db2.gz BEVGFCOCZBPNSZ-HXUWFJFHSA-N 1 1 367.468 3.414 50 70 FGIAMO O=C(CCCc1nc(-c2ccco2)no1)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000217661848 526464485 /nfs/dbraw/zinc/46/44/85/526464485.db2.gz TYCDDACALHHEKE-JKSUJKDBSA-N 1 1 372.469 3.033 50 70 FGIAMO CN(Cc1ncc[nH]1)C(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000217839305 523580394 /nfs/dbraw/zinc/58/03/94/523580394.db2.gz ASNNHOVAJNHRQW-UHFFFAOYSA-N 1 1 360.461 3.240 50 70 FGIAMO O=C(CCc1nnc(-c2ccccc2)o1)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000217874708 526661451 /nfs/dbraw/zinc/66/14/51/526661451.db2.gz QCNWLEDEBRCJFO-ZWKOTPCHSA-N 1 1 368.481 3.050 50 70 FGIAMO COc1ccc2cc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)n(C)c2c1 ZINC000217718922 222673419 /nfs/dbraw/zinc/67/34/19/222673419.db2.gz SXJUFSLQGHKGBB-FUHWJXTLSA-N 1 1 355.482 3.181 50 70 FGIAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2ccn(CC(F)(F)F)n2)C1 ZINC000160739326 496032693 /nfs/dbraw/zinc/03/26/93/496032693.db2.gz USPMLEJVBOWJEJ-LBPRGKRZSA-N 1 1 370.379 3.073 50 70 FGIAMO COc1ccc(CNC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cn1 ZINC000160856180 496055345 /nfs/dbraw/zinc/05/53/45/496055345.db2.gz UAPUESNABDOFFG-KRWDZBQOSA-N 1 1 374.529 3.276 50 70 FGIAMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C3CCC(F)(F)CC3)c2)CCO1 ZINC000159913057 495839804 /nfs/dbraw/zinc/83/98/04/495839804.db2.gz PREDPTHNAWOLRC-HNNXBMFYSA-N 1 1 366.452 3.349 50 70 FGIAMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C3CCC(F)(F)CC3)c2)CCO1 ZINC000159913057 495839808 /nfs/dbraw/zinc/83/98/08/495839808.db2.gz PREDPTHNAWOLRC-HNNXBMFYSA-N 1 1 366.452 3.349 50 70 FGIAMO O=C(c1ccccc1OCCc1ccccc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000217098224 496994832 /nfs/dbraw/zinc/99/48/32/496994832.db2.gz BFFURDNACCUNAU-IBGZPJMESA-N 1 1 350.462 3.228 50 70 FGIAMO Cc1c(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cnn1-c1ccccc1F ZINC000217630183 496999343 /nfs/dbraw/zinc/99/93/43/496999343.db2.gz PJAZASHQRNORRS-QFBILLFUSA-N 1 1 370.472 3.314 50 70 FGIAMO O[C@@H](c1cc2n(n1)CCC[N@H+](CCCOc1ccc(F)cc1)C2)C1CC1 ZINC000218513730 527666087 /nfs/dbraw/zinc/66/60/87/527666087.db2.gz ZDCJSUDSIMIWOP-HXUWFJFHSA-N 1 1 359.445 3.140 50 70 FGIAMO O[C@@H](c1cc2n(n1)CCC[N@@H+](CCCOc1ccc(F)cc1)C2)C1CC1 ZINC000218513730 527666089 /nfs/dbraw/zinc/66/60/89/527666089.db2.gz ZDCJSUDSIMIWOP-HXUWFJFHSA-N 1 1 359.445 3.140 50 70 FGIAMO Cc1ccccc1[C@H](C(=O)N1CCC(c2ccnc(C)n2)CC1)[NH+](C)C ZINC000217908151 525398615 /nfs/dbraw/zinc/39/86/15/525398615.db2.gz PXNJAOJCMDKLFB-HXUWFJFHSA-N 1 1 352.482 3.102 50 70 FGIAMO Cc1ccccc1[C@@H](C(=O)N1CCC(c2ccnc(C)n2)CC1)[NH+](C)C ZINC000217908076 525341330 /nfs/dbraw/zinc/34/13/30/525341330.db2.gz PXNJAOJCMDKLFB-FQEVSTJZSA-N 1 1 352.482 3.102 50 70 FGIAMO Cc1ccn(CCC(=O)N[C@H](CCn2cc[nH+]c2C)c2ccccc2)n1 ZINC000218522521 525600785 /nfs/dbraw/zinc/60/07/85/525600785.db2.gz JCEWLOCBKXOHDU-LJQANCHMSA-N 1 1 351.454 3.034 50 70 FGIAMO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2ccc(OCCn3ccnc3)cc2)C1 ZINC000217868286 527459623 /nfs/dbraw/zinc/45/96/23/527459623.db2.gz MUNFYQFHTJJOFC-LJQANCHMSA-N 1 1 365.481 3.075 50 70 FGIAMO Cc1c(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cnn1-c1ccc(F)cc1 ZINC000217712587 571350173 /nfs/dbraw/zinc/35/01/73/571350173.db2.gz QNKFHWXFAYFMNS-OXJNMPFZSA-N 1 1 370.472 3.314 50 70 FGIAMO C[C@@H](O)c1cc2n(n1)CCC[N@H+](C1CCN(c3cccc(Cl)c3)CC1)C2 ZINC000217085844 132272119 /nfs/dbraw/zinc/27/21/19/132272119.db2.gz OJGIXVKBGXOINH-OAHLLOKOSA-N 1 1 374.916 3.465 50 70 FGIAMO CN(Cc1cnc2ccccc2n1)C(=O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000218129697 523501327 /nfs/dbraw/zinc/50/13/27/523501327.db2.gz GGFZGINUYDLYGL-SFHVURJKSA-N 1 1 360.461 3.078 50 70 FGIAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1csc2nc(-c3ccccc3)cn12 ZINC000218482577 521636299 /nfs/dbraw/zinc/63/62/99/521636299.db2.gz ZZEOTPQGINHWMB-MRXNPFEDSA-N 1 1 368.506 3.206 50 70 FGIAMO CC(C)Cc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](C)CCCN3C)cc1 ZINC000217118297 496994597 /nfs/dbraw/zinc/99/45/97/496994597.db2.gz DWHQMMGGCHSFHR-UHFFFAOYSA-N 1 1 357.542 3.127 50 70 FGIAMO CC(C)Cc1ccc(C(=O)N2CCC3(CC2)CN(C)CCC[N@@H+]3C)cc1 ZINC000217118297 496994599 /nfs/dbraw/zinc/99/45/99/496994599.db2.gz DWHQMMGGCHSFHR-UHFFFAOYSA-N 1 1 357.542 3.127 50 70 FGIAMO CC(C)Cc1ccc(C(=O)N2CCC3(CC2)CN(C)CCC[N@H+]3C)cc1 ZINC000217118297 496994601 /nfs/dbraw/zinc/99/46/01/496994601.db2.gz DWHQMMGGCHSFHR-UHFFFAOYSA-N 1 1 357.542 3.127 50 70 FGIAMO CCC1(CO)CC[NH+](Cc2cc(C)cc(CN3CCN(C)CC3)c2C)CC1 ZINC000217412587 496997853 /nfs/dbraw/zinc/99/78/53/496997853.db2.gz ANIQIWLTRKUSIC-UHFFFAOYSA-N 1 1 373.585 3.035 50 70 FGIAMO COc1ccc2c(cc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)n2C)c1 ZINC000217692917 496999043 /nfs/dbraw/zinc/99/90/43/496999043.db2.gz KKSRFCOQBCWLBE-HNAYVOBHSA-N 1 1 355.482 3.181 50 70 FGIAMO COc1cc2cc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)[nH]c2cc1OC ZINC000217670485 496999061 /nfs/dbraw/zinc/99/90/61/496999061.db2.gz PKHMBEFIUOMVOT-KBXCAEBGSA-N 1 1 371.481 3.179 50 70 FGIAMO COC(=O)C[C@H](c1ccccc1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000217925890 523340110 /nfs/dbraw/zinc/34/01/10/523340110.db2.gz KFKVLBIONALXRJ-QGZVFWFLSA-N 1 1 371.433 3.026 50 70 FGIAMO C[N@@H+]1CCN(C(=O)CCC(=O)NC2CCCCCC2)C[C@H]1c1ccccc1 ZINC000217077040 496994645 /nfs/dbraw/zinc/99/46/45/496994645.db2.gz NQIJKKYLMZFZMV-FQEVSTJZSA-N 1 1 371.525 3.121 50 70 FGIAMO C[N@H+]1CCN(C(=O)CCC(=O)NC2CCCCCC2)C[C@H]1c1ccccc1 ZINC000217077040 496994646 /nfs/dbraw/zinc/99/46/46/496994646.db2.gz NQIJKKYLMZFZMV-FQEVSTJZSA-N 1 1 371.525 3.121 50 70 FGIAMO Cc1c(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cnn1-c1cccc(F)c1 ZINC000217656745 525622357 /nfs/dbraw/zinc/62/23/57/525622357.db2.gz AMJDVGHRJYTJTI-OXJNMPFZSA-N 1 1 370.472 3.314 50 70 FGIAMO O=C(NCCc1nc2c(s1)CCCC2)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000218595469 206372212 /nfs/dbraw/zinc/37/22/12/206372212.db2.gz PNWLQPZIIGXFKJ-SFHVURJKSA-N 1 1 369.534 3.345 50 70 FGIAMO COc1ccc(C[N@@H+]2CCCn3nc([C@@H](O)C4CCC4)cc3C2)c(OC)c1 ZINC000218265786 524029961 /nfs/dbraw/zinc/02/99/61/524029961.db2.gz QBQASYHXFKXXNL-NRFANRHFSA-N 1 1 371.481 3.140 50 70 FGIAMO COc1ccc(C[N@H+]2CCCn3nc([C@@H](O)C4CCC4)cc3C2)c(OC)c1 ZINC000218265786 524029963 /nfs/dbraw/zinc/02/99/63/524029963.db2.gz QBQASYHXFKXXNL-NRFANRHFSA-N 1 1 371.481 3.140 50 70 FGIAMO COc1ccc(-c2nc3c([nH]2)C[N@@H+](CCC(F)(F)C(F)F)CC3)cn1 ZINC000218562715 206371549 /nfs/dbraw/zinc/37/15/49/206371549.db2.gz FBKSWAJLCSYVFW-UHFFFAOYSA-N 1 1 358.339 3.129 50 70 FGIAMO COC(=O)C[C@@H](c1ccccc1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000217925968 523280635 /nfs/dbraw/zinc/28/06/35/523280635.db2.gz KFKVLBIONALXRJ-KRWDZBQOSA-N 1 1 371.433 3.026 50 70 FGIAMO Cn1cnnc1Sc1ccc(CN2CC[N@H+](C)[C@@H](c3ccccc3)C2)o1 ZINC000217898876 527529702 /nfs/dbraw/zinc/52/97/02/527529702.db2.gz PHDDERJSLDRNDQ-QGZVFWFLSA-N 1 1 369.494 3.048 50 70 FGIAMO Cn1cnnc1Sc1ccc(CN2CC[N@@H+](C)[C@@H](c3ccccc3)C2)o1 ZINC000217898876 527529710 /nfs/dbraw/zinc/52/97/10/527529710.db2.gz PHDDERJSLDRNDQ-QGZVFWFLSA-N 1 1 369.494 3.048 50 70 FGIAMO Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000217726115 571350250 /nfs/dbraw/zinc/35/02/50/571350250.db2.gz RKEGIDYWABTJLP-QFBILLFUSA-N 1 1 370.472 3.221 50 70 FGIAMO COc1ccccc1-c1n[nH]cc1C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000217810824 571350855 /nfs/dbraw/zinc/35/08/55/571350855.db2.gz IAYAIOGPSRUBPC-MAUKXSAKSA-N 1 1 368.481 3.080 50 70 FGIAMO CC(=O)c1ccc(OCC(=O)NC[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000218073470 497000171 /nfs/dbraw/zinc/00/01/71/497000171.db2.gz XDVQVAUMSAIHFG-QGZVFWFLSA-N 1 1 358.482 3.039 50 70 FGIAMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2ccc(OCCn3ccnc3)cc2)C1 ZINC000217868366 527468284 /nfs/dbraw/zinc/46/82/84/527468284.db2.gz MUNFYQFHTJJOFC-IBGZPJMESA-N 1 1 365.481 3.075 50 70 FGIAMO Cc1ccn(CCC(=O)N[C@@H](CCn2cc[nH+]c2C)c2ccccc2)n1 ZINC000218522450 497003485 /nfs/dbraw/zinc/00/34/85/497003485.db2.gz JCEWLOCBKXOHDU-IBGZPJMESA-N 1 1 351.454 3.034 50 70 FGIAMO O[C@H](c1cc2n(n1)CCC[N@H+](CCCOc1ccc(F)cc1)C2)C1CC1 ZINC000218513802 526299378 /nfs/dbraw/zinc/29/93/78/526299378.db2.gz ZDCJSUDSIMIWOP-FQEVSTJZSA-N 1 1 359.445 3.140 50 70 FGIAMO O[C@H](c1cc2n(n1)CCC[N@@H+](CCCOc1ccc(F)cc1)C2)C1CC1 ZINC000218513802 526299383 /nfs/dbraw/zinc/29/93/83/526299383.db2.gz ZDCJSUDSIMIWOP-FQEVSTJZSA-N 1 1 359.445 3.140 50 70 FGIAMO O=C(NC1CCN(c2ccccc2)CC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000218341693 527534838 /nfs/dbraw/zinc/53/48/38/527534838.db2.gz KQMNHUJJVMCJEU-QFIPXVFZSA-N 1 1 363.505 3.436 50 70 FGIAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2ccn(CC(F)(F)F)n2)C1 ZINC000160739190 496032326 /nfs/dbraw/zinc/03/23/26/496032326.db2.gz USPMLEJVBOWJEJ-GFCCVEGCSA-N 1 1 370.379 3.073 50 70 FGIAMO Cc1sc(-n2cccc2)nc1C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000217741671 571350310 /nfs/dbraw/zinc/35/03/10/571350310.db2.gz BSRFJBMEKOTWJC-JKSUJKDBSA-N 1 1 358.511 3.237 50 70 FGIAMO COc1ccc2cc(C[N@@H+](CCCO)Cc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000218752258 497004646 /nfs/dbraw/zinc/00/46/46/497004646.db2.gz KSELTQMCUISLGH-UHFFFAOYSA-N 1 1 370.424 3.060 50 70 FGIAMO O=C(NCCc1noc(C2CCC2)n1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000217203559 526466896 /nfs/dbraw/zinc/46/68/96/526466896.db2.gz CBHDZOGCRIPKPU-GOSISDBHSA-N 1 1 368.481 3.051 50 70 FGIAMO CC(=O)c1ccc(OCC(=O)NC[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000218073379 497000078 /nfs/dbraw/zinc/00/00/78/497000078.db2.gz XDVQVAUMSAIHFG-KRWDZBQOSA-N 1 1 358.482 3.039 50 70 FGIAMO O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC(Cn2ccnc2)CC1 ZINC000218578140 526535336 /nfs/dbraw/zinc/53/53/36/526535336.db2.gz FNHAWUZXSSCSQH-OAQYLSRUSA-N 1 1 366.509 3.176 50 70 FGIAMO O=C(Cc1csc(-c2ccccn2)n1)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000217857796 527333753 /nfs/dbraw/zinc/33/37/53/527333753.db2.gz VUYSMTJRGJYQJC-MAUKXSAKSA-N 1 1 370.522 3.128 50 70 FGIAMO Cc1c(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cnn1-c1cc(C)ccc1C ZINC000160738389 496032078 /nfs/dbraw/zinc/03/20/78/496032078.db2.gz DSQFQLCUPBSVTR-GOSISDBHSA-N 1 1 367.497 3.500 50 70 FGIAMO CN(Cc1cnc2ccccc2n1)C(=O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000218129615 523501107 /nfs/dbraw/zinc/50/11/07/523501107.db2.gz GGFZGINUYDLYGL-GOSISDBHSA-N 1 1 360.461 3.078 50 70 FGIAMO C[NH+](C)[C@H](C(=O)N1CCC2(CNc3ccccc32)CC1)c1ccc(F)cc1 ZINC000217394314 496997083 /nfs/dbraw/zinc/99/70/83/496997083.db2.gz BEVGFCOCZBPNSZ-FQEVSTJZSA-N 1 1 367.468 3.414 50 70 FGIAMO